NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.3117 8.1693 120.6250 54.6359 43.8538 177.4743 5 V 3.6177 7.5970 117.9126 60.5032 32.3808 174.8450 6 P 4.5028 0.0000 0.0000 62.2806 34.6292 176.6851 *8 V 4.0471 8.2618 113.0916 62.3737 32.9462 176.8505 9 V 3.7592 8.2385 121.4017 65.0284 32.7194 175.6837 10 E 4.6721 7.8652 119.1001 53.7038 32.6431 174.4465 11 Q 4.0630 8.6488 124.0051 55.9974 29.0305 174.4384 12 T 3.1257 8.5920 121.2990 61.9077 68.9698 171.9833 *18 A 4.2276 7.5197 123.2187 51.1784 18.8747 175.4050 19 Y 4.0398 8.8460 121.7240 57.8500 39.9256 174.4731 20 D 5.7265 8.1075 124.4721 50.1217 43.2908 176.5022 21 I 3.5612 8.0024 117.4629 64.5252 37.7781 177.3865 22 Y 4.1108 7.5699 117.0269 61.1212 37.5871 178.5549 23 S 4.0503 8.1055 115.7934 61.4269 62.6061 176.6962 24 R 4.1980 7.7383 120.4975 59.6048 30.1991 178.4073 25 L 4.1945 8.2573 118.7778 57.4501 41.5688 179.1449 26 L 4.2687 7.9855 122.0466 57.4533 41.7828 178.8286 27 K 4.3893 7.8772 118.7937 58.7092 31.8219 177.3674 28 D 4.8257 8.0651 118.2132 53.2235 41.4801 176.4622 29 R 3.9101 8.4801 117.4800 57.5924 27.9463 175.7290 30 V 4.5918 7.1564 114.1323 61.1433 33.9668 174.1946 31 I 4.7539 9.0116 129.1333 59.5652 40.0070 174.4386 32 F 4.8058 8.9873 125.3964 56.1476 40.5163 175.0954 33 L 4.6579 9.2719 126.6027 53.5382 43.4166 175.3206 34 V 5.1292 7.4247 117.9694 59.8273 36.0951 177.1321 35 G 3.8133 8.7209 110.5630 44.5840 0.0000 172.6116 36 Q 4.3153 8.3844 117.7564 55.7568 29.5432 176.6748 37 V 3.9129 8.8014 124.8809 62.9767 32.3063 174.5734 38 E 5.0322 8.4724 124.9486 54.5946 32.9830 175.1997 39 D 4.4945 9.0051 118.7969 58.1137 41.1181 178.9975 40 H 3.9556 9.2194 114.8743 57.7531 30.0194 176.1549 *42 A 4.2858 8.0538 121.5999 52.4753 20.3182 179.2984 43 N 4.3316 8.4293 113.6148 56.2724 38.4660 177.6551 44 L 3.9092 7.7736 119.7897 57.7647 41.5132 179.4002 45 A 4.0197 7.8714 118.8104 55.1439 18.4431 179.1914 46 I 3.8008 7.7731 117.1268 64.5602 37.5076 178.0331 47 A 4.2519 8.1524 121.5421 55.2720 18.0525 180.4391 48 Q 4.2552 7.9990 113.5299 56.7155 28.6035 178.5741 *50 L 4.2996 7.8789 122.1381 54.9311 43.9217 179.0868 51 F 4.2801 8.7944 120.4942 61.3373 39.2713 177.1765 52 L 3.4922 8.2546 118.9772 57.5325 41.1713 178.9822 53 E 3.8308 8.0125 117.6379 59.3443 29.6306 178.3077 54 S 4.1887 7.8916 111.8783 61.4229 62.5225 175.6725 55 E 4.1877 7.6775 120.1341 57.9827 28.4195 177.2516 56 N 4.6078 7.8564 119.3046 51.9608 41.0845 172.9604 57 P 4.2688 0.0000 0.0000 64.4775 31.8665 176.6784 58 N 4.6697 8.4650 115.7889 53.7621 39.6759 175.2439 59 K 4.4051 7.2785 117.9352 55.1959 33.0499 176.9107 60 D 4.7209 8.7697 123.4942 55.3016 41.7552 175.8958 61 I 4.4834 8.8945 121.7795 59.7386 40.1657 174.4645 62 N 5.2280 9.0916 123.9953 51.6282 40.9525 173.6816 63 L 4.7251 9.0994 128.1581 53.8676 43.7239 174.6405 64 Y 5.1382 8.7111 126.0693 56.8312 39.1265 174.8677 65 I 4.8417 8.6420 125.9585 59.6468 39.9205 174.8997 66 N 5.3626 9.6980 125.8319 51.6579 39.6680 170.8564 67 S 5.1113 9.5023 116.2682 55.5001 65.4884 172.0957 68 P 4.6048 0.0000 0.0000 62.6313 32.1119 174.9470 69 G 3.8138 7.2874 107.3255 45.5095 0.0000 171.7198 70 G 4.4564 8.4953 104.7379 42.9066 0.0000 172.7710 71 A 4.4421 8.1958 123.0710 50.6692 19.7349 178.9606 72 V 3.6425 8.5012 122.7958 66.0205 31.9091 178.2180 73 T 3.9046 7.9335 108.8901 64.6801 68.6357 175.4872 74 S 4.2546 8.1425 117.6978 61.1177 63.3105 176.3144 75 A 4.3706 7.5699 125.2719 51.7905 17.4635 179.2757 *77 A 4.2790 8.1564 124.7191 53.5470 20.7826 179.8023 78 I 3.7000 7.2662 115.1849 64.7736 37.2160 177.4632 79 Y 4.2082 8.0421 118.9523 61.1737 38.9314 177.9295 80 D 4.5336 8.2771 118.9656 57.3243 40.9443 179.2188 81 T 3.9645 7.8810 115.0021 64.0085 68.2076 176.0841 *83 Q 4.2170 8.0821 120.9803 55.6202 30.8013 176.4583 84 F 4.4552 7.9544 119.4760 60.4402 39.7539 176.5015 85 V 3.7963 7.5640 113.1235 60.4064 32.1096 176.0607 86 K 3.9055 8.7102 125.4996 59.1135 32.1879 175.9469 87 P 4.4372 0.0000 0.0000 62.1338 32.2488 176.3357 88 D 4.3409 8.7817 123.1806 55.0340 42.2236 175.5439 89 V 4.6669 8.3526 123.4337 61.2001 33.0997 174.3834 90 R 4.8153 8.9357 130.4042 56.2233 30.9034 175.1217 91 T 5.2463 9.0103 116.4356 59.8894 72.0022 172.7776 92 L 5.0407 8.7420 125.4093 53.6583 45.9334 174.5330 93 C 4.9121 9.3670 127.9967 57.4168 31.6075 173.9030 94 I 3.3477 8.4851 121.4304 63.6604 37.5181 176.0965 95 G 4.0844 8.3915 107.3546 45.5553 0.0000 171.5437 96 Q 5.3083 9.1091 117.7300 53.1272 32.7887 174.6199 97 A 4.9238 8.9998 123.7429 49.6725 21.6141 175.8853 98 A 4.2699 8.7890 124.7085 51.8096 21.6672 177.1348 99 S 3.7929 8.3868 112.0076 61.7288 62.0533 176.4656 100 A 4.0431 7.8977 122.9357 55.1952 18.2882 179.7281 101 G 3.5381 8.0660 103.5773 47.8005 0.0000 175.6185 102 A 4.0545 8.6781 124.0031 54.8167 18.1327 179.3708 103 L 3.9171 7.7258 118.0771 58.2352 42.5222 179.0966 104 L 4.2132 7.6236 118.9160 57.6527 41.6810 178.8754 105 L 3.9217 8.3492 120.5027 58.4515 41.7777 179.0870 106 A 4.7557 7.9347 120.5823 53.8553 18.3132 178.7407 107 G 3.9718 7.5596 102.0537 43.9508 0.0000 173.6996 108 G 4.0045 7.4529 108.0822 45.7827 0.0000 173.3646 109 A 4.4046 8.6380 121.5109 51.1085 19.6697 177.4356 110 K 3.8342 8.7049 119.8951 58.5447 32.2740 177.5792 111 G 4.0321 9.5938 112.5904 45.4456 0.0000 173.2357 112 K 4.7864 8.3475 119.6624 56.2680 33.9005 175.6822 113 R 4.9614 8.1457 119.0854 53.9070 32.9759 175.1249 114 H 5.5673 9.2055 119.8803 53.6994 34.1865 171.6743 115 C 5.1373 7.9538 113.1845 57.1165 33.7806 172.9842 116 L 4.8313 8.3051 119.5149 52.9284 42.8787 176.7213 117 P 4.1906 0.0000 0.0000 65.4184 31.2926 177.4390 118 H 4.7958 7.9648 112.0758 55.1931 29.2488 174.5548 119 S 4.4445 7.5764 115.6390 59.4504 63.6198 173.8940 120 S 4.7087 9.1705 118.2500 56.7433 64.5496 173.5117 121 V 5.1258 8.2557 125.7074 60.2907 34.6790 174.0487 *123 I 4.2098 7.9843 115.0764 61.3225 38.9739 174.0539 124 H 5.1786 8.2591 118.1042 54.6644 31.6973 172.8799 125 Q 4.3676 8.4741 118.1481 55.5303 29.5271 176.4907 126 V 3.8120 8.2654 112.8023 61.4755 32.1713 176.0530 127 L 4.7034 8.0063 122.4051 53.7016 43.8921 176.6071 128 G 4.0741 7.1986 107.0770 47.0448 0.0000 172.6837 129 G 4.5207 7.9345 114.3710 45.7813 0.0000 171.0748 130 Y 4.7267 7.7589 121.7055 56.1143 41.9087 173.7749 131 Q 4.3583 7.3724 123.6962 52.8216 32.5700 175.6193 132 G 3.9277 8.2051 111.2786 45.5506 0.0000 172.3120 133 Q 4.3099 8.2565 120.5481 55.4944 30.7525 176.9818 134 G 3.8425 8.7951 110.1336 48.7181 0.0000 175.9827 135 T 3.8835 7.9588 117.5901 66.5480 68.3935 176.2802 136 D 4.2786 8.0424 120.2015 57.0945 40.8744 178.4732 137 I 3.6903 8.1450 120.8013 64.6805 37.1772 178.3423 138 Q 3.9716 8.3466 118.9115 59.0094 28.3892 179.0965 139 I 3.5899 7.6373 120.6606 64.8608 37.0954 178.3108 140 H 4.0666 8.2707 116.7822 58.3467 28.4586 177.7317 141 A 3.9834 8.2691 123.2015 55.0393 18.1374 179.8128 142 K 3.8973 8.0007 117.0510 59.6335 32.0556 179.4071 143 Q 3.9211 7.8341 119.9573 59.4510 28.8723 178.3553 144 T 3.8614 8.2073 117.1306 66.5769 68.4041 176.4709 145 Q 3.9220 8.0223 121.6803 58.8976 28.9768 178.1686 146 R 3.8363 8.0781 119.9747 59.4191 30.1861 178.7122 147 V 3.6931 7.9437 118.1451 65.9933 31.6560 177.7623 148 S 4.0750 8.3027 113.1416 61.5772 62.1711 175.8429 149 D 4.3607 8.2231 121.4497 57.6520 40.5680 178.9030 150 Q 3.9659 8.2189 118.5679 58.6505 28.5494 178.7211 151 L 3.8321 7.9410 121.4124 58.2030 42.1227 178.6914 152 N 4.2820 7.9493 115.9946 56.4001 38.3908 177.3251 153 Q 3.9696 8.1687 119.2922 59.0653 28.9666 179.0051 154 I 3.6547 7.7406 120.6131 64.4565 37.1284 178.5801 155 L 4.0293 8.1331 119.6735 57.5564 41.3999 179.3328 156 A 4.0148 8.3548 121.1577 55.0570 18.1312 179.2069 157 K 3.7119 7.9040 116.8380 60.3802 32.2965 178.1291 158 H 4.5048 8.0358 113.6017 57.6810 28.9192 176.9415 159 T 4.7055 7.5644 111.8767 60.7684 69.5268 175.9471 160 G 3.9075 8.4712 108.9858 44.8616 0.0000 173.5494 161 K 4.1952 7.3310 118.4857 55.3679 33.1835 177.2750 162 D 4.5033 8.2537 120.9086 54.1758 42.7593 177.6798 163 I 3.6960 8.4067 123.7886 64.9539 37.1527 178.6307 164 E 3.9962 8.0738 118.6999 59.1839 29.3425 179.2181 165 R 3.8566 7.7648 118.4739 59.3884 30.2586 178.5867 166 V 3.6490 7.8912 118.1305 65.8831 31.2610 177.6794 167 E 3.8879 7.9934 118.3791 58.9016 29.9150 178.3826 168 K 4.0320 8.0243 119.6585 59.7947 32.1157 178.5720 169 D 4.0823 7.8660 117.8589 56.9244 40.9601 177.9553 170 T 4.2437 7.6509 108.1754 62.0348 68.9667 176.0411 171 N 4.3435 7.7357 120.4012 55.4727 39.1393 174.3162 172 R 4.7170 7.0416 116.1503 53.4392 34.2017 174.1884 173 D 4.2958 8.6566 118.1321 55.6545 41.2470 176.2956 174 Y 4.6246 8.5137 124.6101 55.6454 40.2030 174.6321 175 F 4.5330 8.5566 124.8189 56.9232 40.2313 175.2050 176 L 4.8975 8.9667 122.2994 52.7790 45.2663 176.8208 177 T 4.0485 9.0166 114.1503 60.8193 69.7017 173.3192 178 P 4.1807 0.0000 0.0000 66.1752 31.2107 178.4718 179 E 3.9467 8.1978 116.3044 59.7936 29.3573 179.3485 180 E 3.9750 8.3690 117.9885 59.2034 29.5469 179.2307 181 A 4.1095 8.1584 121.0833 54.5652 18.3657 179.7681 182 V 3.8336 7.7763 117.7375 65.7948 31.7528 177.5412 183 E 4.0702 8.2119 117.7362 59.5486 29.4977 177.8596 184 Y 4.1063 8.2957 119.2023 58.8895 39.0759 176.3057 185 G 4.1335 8.1080 106.7031 45.0320 0.0000 175.3179 186 L 4.0617 8.2893 120.4618 56.8133 41.9683 176.5405 187 I 5.0326 7.4298 109.9630 59.2735 40.8456 174.8088 188 D 4.7562 8.7311 119.8080 55.6953 42.5749 177.1068 189 S 4.5677 7.4885 109.9716 57.6481 66.0133 174.1540 190 I 4.6496 8.2507 121.4032 59.7521 39.0101 175.0031 191 F 4.9891 8.2671 125.0479 56.1641 39.9825 175.7634 192 K 4.0909 9.1612 126.0160 58.3100 32.6622 175.8750 193 E 4.6670 7.6547 118.6211 53.4114 32.1936 175.3640 194 R 3.5730 7.7408 123.3490 56.2664 30.4009 174.7950 195 P 4.2952 0.0000 0.0000 62.8051 31.2448 176.1788 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 4 L 8.17 4.31 0.00 1.65 1.80 0.92 0.62 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 5 V 7.60 3.62 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 0.64 0.00 0.00 1.04 0.00 0.00 6 P 0.00 4.50 0.00 2.13 2.06 0.00 3.67 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 *8 V 8.26 4.05 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 0.80 0.00 0.00 1.07 0.00 0.00 9 V 8.24 3.76 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 0.86 0.00 0.00 0.90 0.00 0.00 10 E 7.87 4.67 0.00 1.88 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.31 0.00 11 Q 8.65 4.06 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.73 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 12 T 8.59 3.13 4.25 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 1.22 0.00 0.00 *18 A 7.52 4.23 1.28 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 0.00 0.00 19 Y 8.85 4.04 0.00 3.11 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 20 D 8.11 5.73 0.00 2.72 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 21 I 8.00 3.56 1.76 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 1.28 1.17 0.09 0.00 0.00 22 Y 7.57 4.11 0.00 3.17 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 S 8.11 4.05 0.00 3.45 3.32 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 24 R 7.74 4.20 0.00 2.18 2.23 0.00 3.46 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.79 0.00 25 L 8.26 4.19 0.00 1.99 1.85 1.07 0.44 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 26 L 7.99 4.27 0.00 2.02 1.96 1.16 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.88 4.39 0.00 1.98 1.97 0.00 2.07 0.00 0.00 1.81 0.00 0.00 3.10 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.55 1.63 7.81 28 D 8.07 4.83 0.00 2.83 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.48 3.91 0.00 1.96 1.97 0.00 3.04 0.00 0.00 3.07 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 30 V 7.16 4.59 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.72 0.00 0.00 31 I 9.01 4.75 1.86 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 1.28 0.70 0.94 0.00 0.00 32 F 8.99 4.81 0.00 2.73 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 33 L 9.27 4.66 0.00 1.70 1.56 0.94 0.80 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 34 V 7.42 5.13 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 1.35 0.00 0.00 0.93 0.00 0.00 35 G 8.72 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 36 Q 8.38 4.32 0.00 1.96 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.31 7.01 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 37 V 8.80 3.91 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 0.96 0.00 0.00 0.94 0.00 0.00 38 E 8.47 5.03 0.00 1.94 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 2.18 2.59 0.00 39 D 9.01 4.49 0.00 2.74 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 40 H 9.22 3.96 0.00 3.16 3.62 0.00 5.81 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *42 A 8.05 4.29 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 43 N 8.43 4.33 0.00 2.67 2.85 0.00 0.00 7.10 6.28 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 44 L 7.77 3.91 0.00 1.65 1.66 0.82 0.49 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 45 A 7.87 4.02 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 46 I 7.77 3.80 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 0.71 0.93 0.00 0.00 47 A 8.15 4.25 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 48 Q 8.00 4.26 0.00 2.36 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.34 0.00 0.00 0.00 0.00 0.00 2.42 2.58 0.00 *50 L 7.88 4.30 0.00 1.98 1.84 0.98 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.79 4.28 0.00 3.05 3.32 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 52 L 8.25 3.49 0.00 1.65 1.59 0.93 0.66 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 53 E 8.01 3.83 0.00 1.90 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 2.22 2.29 0.00 54 S 7.89 4.19 0.00 3.92 4.03 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 55 E 7.68 4.19 0.00 1.77 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 56 N 7.86 4.61 0.00 2.61 2.55 0.00 0.00 7.02 7.27 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 57 P 0.00 4.27 0.00 2.16 2.09 0.00 3.75 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.94 0.00 58 N 8.46 4.67 0.00 2.78 2.88 0.00 0.00 6.96 7.88 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 59 K 7.28 4.41 0.00 1.78 1.71 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.54 7.81 60 D 8.77 4.72 0.00 2.55 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 I 8.89 4.48 1.86 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 1.20 0.67 0.90 0.00 0.00 62 N 9.09 5.23 0.00 2.56 2.74 0.00 0.00 6.41 6.30 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 63 L 9.10 4.73 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.50 3.64 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 0.97 0.00 0.00 0.90 0.00 0.00 73 T 7.93 3.90 4.25 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 1.22 0.00 0.00 74 S 8.14 4.25 0.00 4.06 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 75 A 7.57 4.37 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *77 A 8.16 4.28 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 78 I 7.27 3.70 2.03 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 1.43 0.76 0.94 0.00 0.00 79 Y 8.04 4.21 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 80 D 8.28 4.53 0.00 2.91 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 81 T 7.88 3.96 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 *83 Q 8.08 4.22 0.00 1.98 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.07 0.00 0.00 0.00 0.00 0.00 1.79 1.86 0.00 84 F 7.95 4.46 0.00 3.00 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 85 V 7.56 3.80 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 0.79 0.00 0.00 0.91 0.00 0.00 86 K 8.71 3.91 0.00 1.59 1.89 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.34 7.81 87 P 0.00 4.44 0.00 1.94 2.21 0.00 3.62 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.12 0.00 88 D 8.78 4.34 0.00 2.88 2.62 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 89 V 8.35 4.67 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 0.97 0.00 0.00 0.95 0.00 0.00 90 R 8.94 4.82 0.00 2.01 2.01 0.00 3.41 0.00 0.00 3.42 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.86 0.00 91 T 9.01 5.25 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 1.27 0.00 0.00 92 L 8.74 5.04 0.00 1.71 1.23 0.85 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 93 C 9.37 4.91 0.00 2.97 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 94 I 8.49 3.35 1.89 0.00 0.00 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 1.46 0.77 0.73 0.00 0.00 95 G 8.39 4.08 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 0.00 96 Q 9.11 5.31 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.70 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 97 A 9.00 4.92 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 A 8.79 4.27 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 5.75 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Q 8.47 4.37 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.92 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 126 V 8.27 3.81 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 0.71 0.00 0.00 0.96 0.00 0.00 127 L 8.01 4.70 0.00 1.62 1.57 0.89 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 128 G 7.20 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 129 G 7.93 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.76 4.73 0.00 2.80 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 0.00 131 Q 7.37 4.36 0.00 1.79 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.90 0.00 0.00 0.00 0.00 0.00 2.09 2.24 0.00 132 G 8.21 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 0.00 133 Q 8.26 4.31 0.00 2.33 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 134 G 8.80 3.84 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 0.00 0.00 0.00 135 T 7.96 3.88 4.25 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 1.20 0.00 0.00 136 D 8.04 4.28 0.00 2.99 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 I 8.15 3.69 2.10 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 1.80 1.10 0.96 0.00 0.00 138 Q 8.35 3.97 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.59 2.54 0.00 139 I 7.64 3.59 1.86 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 1.45 1.09 0.72 0.00 0.00 140 H 8.27 4.07 0.00 2.84 3.24 0.00 5.62 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 0.00 141 A 8.27 3.98 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 0.00 142 K 8.00 3.90 0.00 1.95 1.84 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.52 7.81 143 Q 7.83 3.92 0.00 2.03 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 144 T 8.21 3.86 4.40 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 1.21 0.00 0.00 145 Q 8.02 3.92 0.00 2.26 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 146 R 8.08 3.84 0.00 1.90 2.07 0.00 3.13 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 1.61 1.62 0.00 147 V 7.94 3.69 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 0.92 0.00 0.00 0.97 0.00 0.00 148 S 8.30 4.07 0.00 3.94 4.03 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 0.00 149 D 8.22 4.36 0.00 2.90 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.22 3.97 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 151 L 7.94 3.83 0.00 1.71 1.76 0.83 0.41 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 0.00 152 N 7.95 4.28 0.00 2.93 2.84 0.00 0.00 7.09 7.02 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 0.00 153 Q 8.17 3.97 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 154 I 7.74 3.65 1.76 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.81 0.47 0.00 0.00 155 L 8.13 4.03 0.00 1.69 1.78 0.89 0.83 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 0.00 156 A 8.35 4.01 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.90 3.71 0.00 1.87 2.10 0.00 1.84 0.00 0.00 1.54 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.48 7.81 158 H 8.04 4.50 0.00 3.26 3.51 0.00 5.69 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 T 7.56 4.71 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 1.49 0.00 0.00 160 G 8.47 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 0.00 0.00 0.00 161 K 7.33 4.20 0.00 1.68 1.59 0.00 1.38 0.00 0.00 1.43 0.00 0.00 2.13 0.00 0.00 2.48 0.00 0.00 0.00 0.00 1.10 0.77 7.81 162 D 8.25 4.50 0.00 2.65 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 0.00 163 I 8.41 3.70 1.85 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 1.62 0.75 0.89 0.00 0.00 164 E 8.07 4.00 0.00 2.03 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 2.38 2.41 0.00 165 R 7.76 3.86 0.00 1.87 2.06 0.00 3.20 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.70 0.00 166 V 7.89 3.65 2.22 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 0.99 0.00 0.00 0.97 0.00 0.00 167 E 7.99 3.89 0.00 2.16 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 2.30 2.29 0.00 168 K 8.02 4.03 0.00 1.94 1.89 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.46 7.81 169 D 7.87 4.08 0.00 2.38 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 T 7.65 4.24 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 1.14 0.00 0.00 171 N 7.74 4.34 0.00 2.88 2.96 0.00 0.00 6.88 6.97 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 0.00 172 R 7.04 4.72 0.00 1.82 1.81 0.00 3.33 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 173 D 8.66 4.30 0.00 2.60 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 Y 8.51 4.62 0.00 3.08 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 F 8.56 4.53 0.00 2.86 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 L 8.97 4.90 0.00 1.43 1.42 0.76 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 177 T 9.02 4.05 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 178 P 0.00 4.18 0.00 2.14 2.13 0.00 3.58 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.18 0.00 179 E 8.20 3.95 0.00 2.04 2.01 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 2.40 2.47 0.00 180 E 8.37 3.98 0.00 2.24 2.01 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 2.35 2.33 0.00 181 A 8.16 4.11 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 0.00 182 V 7.78 3.83 2.23 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 1.10 0.00 0.00 0.90 0.00 0.00 183 E 8.21 4.07 0.00 2.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 184 Y 8.30 4.11 0.00 3.23 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 0.00 185 G 8.11 4.13 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 0.00 0.00 0.00 186 L 8.29 4.06 0.00 1.76 1.75 0.81 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 187 I 7.43 5.03 1.93 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 1.44 0.91 0.86 0.00 0.00 188 D 8.73 4.76 0.00 2.51 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 0.00 189 S 7.49 4.57 0.00 3.84 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 0.00 190 I 8.25 4.65 1.84 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 1.27 0.57 0.91 0.00 0.00 191 F 8.27 4.99 0.00 2.89 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 0.00 192 K 9.16 4.09 0.00 1.75 1.84 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.44 7.81 193 E 7.65 4.67 0.00 1.93 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.19 0.00 194 R 7.74 3.57 0.00 1.88 1.79 0.00 3.30 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.49 0.00 195 P 0.00 4.30 0.00 1.81 1.78 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.54 0.00 * Residues marked with a * may have inaccurate shift predictions.