NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 39 Q 4.2288 8.3449 121.6952 55.5363 31.0661 175.1167 40 S 4.5375 7.7091 113.0535 55.9106 64.2301 171.9354 41 S 4.6187 8.3818 116.3401 57.0766 66.4832 173.2299 42 V 4.4065 8.3206 122.8156 61.1970 33.1967 174.8860 43 S 5.0009 8.3925 121.8161 56.8179 65.9260 173.1239 44 W 5.0049 8.2753 130.3035 55.4475 33.3579 172.7197 45 P 2.9700 0.0000 0.0000 62.0950 31.5393 175.6078 46 Q 4.5231 7.9653 118.6647 55.4813 31.1637 175.7993 47 N 3.8376 9.6581 118.0016 54.1348 36.2958 174.1817 48 G 3.8697 7.9946 100.4391 47.5544 0.0000 173.3100 49 S 4.7208 7.6740 112.2440 56.1615 64.9149 173.7257 50 L 4.3484 8.2455 123.1720 54.2262 41.9691 176.7332 51 N 4.3289 7.8854 116.7195 53.7055 39.0131 175.1130 52 S 4.3465 8.7721 118.1075 59.0839 63.5674 174.2501 53 V 4.5376 7.9397 115.6826 59.6001 34.7320 175.9442 54 S 4.3898 8.6295 120.0835 58.5095 64.0212 174.3405 55 A 4.7346 8.0393 124.3672 49.9836 18.6852 174.2886 56 P 4.4175 0.0000 0.0000 61.8390 32.5623 177.0305 57 L 4.2844 8.1644 122.0163 54.4784 43.1185 175.7662 *59 S 4.6190 8.3666 115.1953 58.7634 64.0283 172.4155 60 Y 4.8007 7.1667 116.8926 56.5782 41.0464 172.6958 61 T 5.0074 8.8315 115.9659 59.7374 68.2417 172.8996 62 P 4.7677 0.0000 0.0000 61.8957 32.9331 176.1701 63 I 4.0716 8.3540 119.5589 64.3600 37.2675 176.6554 64 S 4.9646 8.0574 114.1357 57.1987 66.7712 172.8298 65 F 5.4578 9.0653 123.2376 56.6111 42.7011 173.3887 66 D 5.1165 7.9799 123.2781 51.9461 43.0783 173.9495 67 A 4.9636 8.7648 121.8753 50.1886 23.4783 174.7858 68 K 4.9587 8.9299 119.6856 54.6693 35.1124 175.4744 69 I 4.7198 9.0308 126.1473 58.5361 40.2364 173.2553 70 P 4.5779 0.0000 0.0000 62.8618 31.6159 177.9841 71 V 3.5243 8.8293 124.3991 65.8410 31.2519 177.7397 72 A 4.0201 8.1440 119.9661 55.3050 18.0703 179.1838 73 S 4.0815 8.2537 114.1161 62.1648 62.7036 177.0249 74 V 3.7430 7.3806 119.4885 66.0517 31.2778 177.0777 75 D 4.6710 7.8390 115.5569 55.0230 41.1136 177.5373 76 K 4.5075 8.1189 119.3133 55.1913 32.7054 175.5342 77 L 4.5336 7.3061 119.3025 54.4242 42.5179 177.3067 78 R 4.1256 8.5429 121.4222 55.7706 31.6342 175.9228 79 K 3.8936 8.6340 122.3110 57.6978 32.5158 175.8886 80 D 4.4989 8.8558 126.2067 55.3828 38.3463 173.2231 81 Q 4.7101 8.0031 117.4441 54.2762 30.9422 175.3483 82 D 5.0533 8.3666 119.3866 52.4192 42.0146 175.2906 83 L 4.6332 7.9910 122.8315 55.2239 42.3476 177.1371 84 I 3.9527 8.9586 129.0419 63.9510 37.9780 176.8257 85 L 4.8467 7.7872 122.7618 53.8551 45.5972 174.4181 86 G 5.0328 9.7819 112.9826 44.6933 0.0000 172.8411 87 T 5.3623 7.8556 110.0870 60.8131 70.3017 174.1360 88 L 4.8712 7.7291 120.9271 52.3389 46.1852 174.3036 89 P 3.6407 0.0000 0.0000 61.9254 32.0345 177.3732 90 A 3.9058 8.5168 124.6548 54.9712 18.5849 178.7213 91 N 4.9914 7.6759 111.2209 52.4752 39.3819 174.8180 92 S 4.3137 8.4028 112.5007 58.2864 64.6943 177.4972 93 E 3.0217 7.2049 114.9384 56.1489 31.3997 177.3400 94 D 4.7278 7.7753 118.1093 52.1507 42.5558 175.7308 95 A 4.1300 8.8190 127.1751 55.2466 19.0707 180.6919 96 G 3.4493 8.1244 102.5375 48.5876 0.0000 174.3983 97 A 4.2667 7.8884 121.8874 53.1190 19.4364 178.9427 98 R 4.0279 8.0089 114.2589 57.2379 32.0452 176.5531 99 G 3.8326 8.2694 104.9831 44.9379 0.0000 171.8176 100 L 4.9649 7.9867 121.5223 53.1047 44.3827 175.5815 101 F 5.2937 9.0251 124.0909 55.8074 43.5291 173.6406 102 V 4.6580 9.1692 124.2593 61.4785 33.2442 174.5123 103 R 5.3416 9.1224 127.0442 54.2900 33.4392 174.6498 104 A 5.2879 9.2133 124.6102 50.4849 22.4125 175.2483 105 N 5.1720 8.9126 119.0857 52.0954 39.7411 174.4829 106 D 4.5897 8.8000 116.0287 56.7433 41.1725 176.5246 107 D 4.7915 9.4359 117.3767 53.6287 42.7290 177.6543 108 G 3.8245 6.2647 106.5005 45.3668 0.0000 171.0212 109 L 5.1711 8.5607 125.6031 53.3751 44.7670 176.3144 110 Q 5.0842 9.4816 124.7989 54.2149 32.5076 174.1992 111 I 5.0017 8.9647 125.0854 59.8202 40.2374 174.7326 112 T 5.0949 8.7604 120.6088 60.6967 71.1277 172.3568 113 S 4.7922 9.1639 123.1826 57.4549 65.9918 173.2744 114 H 4.1381 9.2387 126.4413 55.9498 28.6671 175.2570 115 G 3.9481 8.6563 103.4158 44.9977 0.0000 173.3595 116 E 4.5761 8.1050 120.2342 53.6988 31.3424 175.3274 117 L 4.3854 8.6178 126.5223 55.4699 42.5370 176.2816 118 V 4.2255 8.4510 126.1016 63.8731 33.3378 175.6163 119 L 4.4334 7.2972 118.1836 54.2227 45.2541 172.6264 120 D 5.3530 8.8611 124.7066 52.5518 44.4493 174.2697 121 L 5.1148 8.9851 125.4414 52.7340 45.5688 176.9487 122 S 4.6210 9.5617 118.8382 57.4022 64.2200 175.1745 123 K 3.9275 8.5562 120.8451 59.3870 31.8833 178.5233 124 R 3.8376 7.9377 118.5720 59.4771 29.8948 177.9443 125 E 4.0518 8.7046 117.6858 59.6513 29.7351 179.2215 126 L 4.0706 8.1846 118.4470 57.7931 41.5433 179.2590 127 A 3.9112 7.7409 120.1128 55.0584 18.3214 178.0836 128 Q 4.3662 7.3379 111.6423 56.1052 28.9672 175.6497 129 L 4.5055 8.1513 119.0308 53.0711 43.1592 175.0269 130 P 4.3469 0.0000 0.0000 62.4325 32.0836 177.2589 131 A 4.0055 8.8137 124.9671 55.4589 18.1946 178.5594 132 D 4.7584 7.8800 112.2948 53.5075 40.2238 176.4155 133 A 4.3391 7.8354 121.5696 53.2467 20.1456 177.3925 134 T 4.9965 8.0917 112.9048 60.6349 71.1907 172.6499 135 I 4.5968 9.2666 130.5033 60.8557 38.6958 174.5257 136 A 5.1626 9.0591 129.6727 50.2573 21.5309 175.3993 137 I 5.0777 8.5757 122.3849 59.5574 41.3028 174.6805 138 S 5.0746 9.1649 119.8562 56.6270 66.2956 172.4743 139 A 5.0311 9.7684 128.5625 50.6267 21.0910 174.5948 140 T 4.8008 8.8660 112.0163 60.2969 72.2593 174.8042 141 E 3.9836 8.9533 121.1937 59.1492 29.7098 177.3354 142 D 4.6007 7.5269 116.2169 55.9351 41.7054 176.2460 143 E 4.8893 7.7881 117.1689 55.4821 33.9199 174.1444 144 T 5.2680 9.0068 124.3258 62.0342 71.2183 173.2616 145 T 5.1933 9.1101 116.9492 59.8562 71.9069 173.0501 146 A 5.6715 8.5667 124.6828 49.2551 23.2938 175.0555 147 G 4.1159 7.9787 105.5649 45.8943 0.0000 172.1850 148 I 4.4716 7.6381 121.0211 60.5400 38.3482 175.2637 149 E 3.6271 9.2635 129.4073 59.2328 29.3727 174.7882 150 G 3.8424 9.0266 119.1498 45.7132 0.0000 172.4162 151 D 4.6519 7.9858 119.9856 52.3820 41.8195 177.2696 152 D 4.8882 8.9283 126.4974 56.2882 41.3160 177.9663 153 S 4.2972 8.3049 113.5468 61.2404 63.2502 175.8092 154 T 4.0990 7.8292 117.0440 65.8648 68.8984 175.2486 155 T 4.2700 7.4879 111.2264 61.4410 69.6279 172.9581 156 E 4.9869 9.6438 124.8950 54.7427 33.0109 174.7857 157 T 4.9498 8.4066 117.3701 60.3239 70.5274 173.0782 158 V 4.0623 9.2166 129.7429 61.0423 32.5472 175.5878 159 E 4.6939 8.4902 132.8264 55.5692 30.2524 175.3302 160 R 4.2750 7.4304 115.0385 55.6066 31.3715 173.9216 161 D 4.7641 8.6074 119.1503 53.6773 40.4785 176.8382 162 V 4.4594 7.8802 120.1099 60.5273 32.9753 176.2679 163 R 3.8311 7.7966 118.2457 56.3293 30.5969 175.0394 164 P 4.7688 0.0000 0.0000 62.0091 32.6196 175.1038 165 I 4.2670 7.9657 120.4576 61.3640 37.9185 175.6246 166 I 4.6723 7.7378 125.9776 58.5198 41.5673 174.8552 *168 G 3.8790 8.1070 108.5569 46.3275 0.0000 170.7365 169 I 4.7788 7.8133 120.7546 59.8133 39.0096 175.0226 170 Y 4.9010 9.1333 125.2897 56.5712 40.9211 174.9589 171 T 4.9160 8.5134 115.6930 60.5500 71.1742 172.6933 172 E 4.8267 8.9037 124.3945 56.1257 31.1372 176.2068 173 L 4.5531 7.6449 119.1685 53.9848 42.7776 177.0780 174 E 4.0847 9.3676 122.3082 56.6513 29.9968 178.6054 175 S 4.1530 8.8641 120.0866 61.7412 63.2858 175.3220 176 N 4.5167 8.1144 115.1719 53.9866 37.6737 175.9379 177 A 4.1962 7.9050 120.7279 53.2586 18.4688 178.8785 178 A 3.8960 7.5692 119.4726 55.0522 18.4215 179.4168 179 A 3.9250 8.0057 118.0807 55.5990 18.2377 179.5052 180 D 4.2765 7.9396 115.1300 57.4523 41.3165 178.5976 181 L 4.1389 8.1053 119.5425 57.7829 41.5818 179.3710 182 L 3.9699 8.4188 119.2179 58.1333 41.4145 179.4692 183 N 4.3227 8.3473 114.5680 55.3859 38.5058 176.1885 184 A 4.5331 7.7393 120.2243 51.6600 19.4054 177.5165 185 G 3.8221 8.1106 105.9431 44.8887 0.0000 173.5197 186 L 4.2502 7.6986 121.1460 55.5284 42.4785 175.8768 187 N 4.9149 8.9779 122.5341 52.5654 42.8736 172.7843 188 A 4.9987 8.5766 126.3638 50.3689 22.5276 174.9136 189 H 4.8541 8.7612 120.5909 54.4326 33.2955 172.2693 190 V 4.7819 8.4581 125.3931 59.8766 33.5390 174.4181 191 E 4.4774 8.8708 126.6656 54.6795 31.1821 174.4414 192 I 4.6104 8.0920 127.1712 59.2279 40.0064 174.8356 193 N 4.3808 8.7548 125.6055 53.2968 39.4005 174.6065 194 S 4.0002 8.2213 118.0914 57.5552 64.4979 173.5600 195 R 4.1392 7.4236 121.8158 54.7350 30.9557 174.9765 196 F 5.2763 8.4707 123.4499 55.9357 41.8928 175.2522 197 T 4.2735 8.5659 113.9778 61.9198 68.7667 173.5842 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 39 Q 8.34 4.23 0.00 1.98 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.85 0.00 0.00 0.00 0.00 0.00 2.22 2.37 0.00 40 S 7.71 4.54 0.00 3.95 3.76 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 41 S 8.38 4.62 0.00 3.94 3.78 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 42 V 8.32 4.41 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.97 0.00 0.00 43 S 8.39 5.00 0.00 3.90 3.77 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 44 W 8.28 5.00 0.00 3.23 3.03 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 45 P 0.00 2.97 0.00 1.56 1.36 0.00 3.30 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.44 0.00 46 Q 7.97 4.52 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.25 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 47 N 9.66 3.84 0.00 2.88 2.92 0.00 0.00 6.06 7.00 0.00 0.00 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 G 7.99 3.87 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 0.00 0.00 0.00 49 S 7.67 4.72 0.00 3.80 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 50 L 8.25 4.35 0.00 1.66 1.77 0.68 1.03 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 51 N 7.89 4.33 0.00 2.79 2.89 0.00 0.00 6.92 7.73 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 52 S 8.77 4.35 0.00 3.89 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 53 V 7.94 4.54 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 1.05 0.00 0.00 1.07 0.00 0.00 54 S 8.63 4.39 0.00 3.88 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 55 A 8.04 4.73 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.42 0.00 2.25 2.12 0.00 3.80 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 2.03 1.99 0.00 57 L 8.16 4.28 0.00 1.73 1.78 0.96 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 *59 S 8.37 4.62 0.00 3.79 3.82 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 60 Y 7.17 4.80 0.00 3.06 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 61 T 8.83 5.01 4.27 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 0.00 0.00 1.25 0.00 0.00 62 P 0.00 4.77 0.00 2.62 2.32 0.00 3.96 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 63 I 8.35 4.07 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.59 0.91 0.00 0.00 64 S 8.06 4.96 0.00 3.93 3.92 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 65 F 9.07 5.46 0.00 3.17 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 66 D 7.98 5.12 0.00 2.79 2.60 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 67 A 8.76 4.96 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 68 K 8.93 4.96 0.00 1.75 1.69 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.49 7.81 69 I 9.03 4.72 1.90 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 1.27 1.02 0.94 0.00 0.00 70 P 0.00 4.58 0.00 2.08 2.01 0.00 3.63 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.26 0.00 71 V 8.83 3.52 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 1.02 0.00 0.00 0.94 0.00 0.00 72 A 8.14 4.02 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 73 S 8.25 4.08 0.00 3.88 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 74 V 7.38 3.74 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 0.84 0.00 0.00 0.97 0.00 0.00 75 D 7.84 4.67 0.00 2.68 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 76 K 8.12 4.51 0.00 1.70 1.79 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.59 1.60 7.81 77 L 7.31 4.53 0.00 1.52 1.61 0.97 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 78 R 8.54 4.13 0.00 1.91 1.86 0.00 3.28 0.00 0.00 3.11 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 79 K 8.63 3.89 0.00 1.77 1.76 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.50 7.81 80 D 8.86 4.50 0.00 2.87 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 8.00 4.71 0.00 2.04 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.72 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 82 D 8.37 5.05 0.00 2.85 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 83 L 7.99 4.63 0.00 1.84 1.79 1.18 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 84 I 8.96 3.95 1.99 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 1.22 0.96 0.95 0.00 0.00 85 L 7.79 4.85 0.00 1.75 1.52 1.09 1.00 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 86 G 9.78 5.03 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 0.00 87 T 7.86 5.36 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 0.70 0.00 0.00 88 L 7.73 4.87 0.00 1.76 1.57 1.04 1.02 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 89 P 0.00 3.64 0.00 1.95 1.53 0.00 3.49 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.63 0.00 90 A 8.52 3.91 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 91 N 7.68 4.99 0.00 2.61 2.73 0.00 0.00 6.90 7.57 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 92 S 8.40 4.31 0.00 4.00 3.92 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 93 E 7.20 3.02 0.00 2.02 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 2.27 2.30 0.00 94 D 7.78 4.73 0.00 2.65 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 8.82 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 96 G 8.12 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 0.00 0.00 0.00 97 A 7.89 4.27 1.27 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 0.00 0.00 0.00 0.00 0.00 98 R 8.01 4.03 0.00 1.85 1.90 0.00 3.10 0.00 0.00 3.48 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.74 0.00 99 G 8.27 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 L 7.99 4.96 0.00 1.25 0.87 0.70 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 101 F 9.03 5.29 0.00 2.96 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 0.00 102 V 9.17 4.66 2.15 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 1.07 0.00 0.00 0.99 0.00 0.00 103 R 9.12 5.34 0.00 1.78 1.78 0.00 3.09 0.00 0.00 3.46 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 104 A 9.21 5.29 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 0.00 105 N 8.91 5.17 0.00 2.88 2.91 0.00 0.00 6.71 8.78 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 0.00 106 D 8.80 4.59 0.00 2.67 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 0.00 107 D 9.44 4.79 0.00 2.84 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 0.00 108 G 6.26 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 L 8.56 5.17 0.00 1.73 1.52 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 110 Q 9.48 5.08 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.54 0.00 0.00 0.00 0.00 0.00 2.27 2.52 0.00 111 I 8.96 5.00 1.91 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 1.16 0.68 0.94 0.00 0.00 112 T 8.76 5.09 4.32 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 1.52 0.00 0.00 113 S 9.16 4.79 0.00 3.82 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 0.00 114 H 9.24 4.14 0.00 3.44 3.30 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 G 8.66 3.95 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 0.00 0.00 0.00 116 E 8.10 4.58 0.00 2.10 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 0.00 2.41 2.38 0.00 117 L 8.62 4.39 0.00 1.60 1.60 1.00 0.97 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 0.00 118 V 8.45 4.23 2.21 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 0.81 0.00 0.00 1.00 0.00 0.00 119 L 7.30 4.43 0.00 1.77 1.45 0.99 1.09 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 0.00 120 D 8.86 5.35 0.00 2.66 2.48 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 0.00 0.00 0.00 0.00 121 L 8.99 5.11 0.00 1.58 1.51 0.94 0.72 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 0.00 122 S 9.56 4.62 0.00 3.96 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 K 8.56 3.93 0.00 1.89 1.85 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.51 1.56 7.81 124 R 7.94 3.84 0.00 1.96 1.91 0.00 3.30 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 125 E 8.70 4.05 0.00 2.15 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 2.36 2.37 0.00 126 L 8.18 4.07 0.00 1.70 1.72 0.93 0.73 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 0.00 127 A 7.74 3.91 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 0.00 128 Q 7.34 4.37 0.00 2.28 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.73 0.00 0.00 0.00 0.00 0.00 2.54 2.32 0.00 129 L 8.15 4.51 0.00 1.70 1.63 0.93 1.14 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 0.00 130 P 0.00 4.35 0.00 2.18 1.97 0.00 3.62 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 131 A 8.81 4.01 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.88 4.76 0.00 2.79 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 0.00 133 A 7.84 4.34 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 0.00 134 T 8.09 5.00 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 1.23 0.00 0.00 135 I 9.27 4.60 1.98 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 1.18 0.68 0.94 0.00 0.00 136 A 9.06 5.16 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 0.00 137 I 8.58 5.08 2.03 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 1.19 0.73 1.09 0.00 0.00 138 S 9.16 5.07 0.00 3.86 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 0.00 139 A 9.77 5.03 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 0.00 140 T 8.87 4.80 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 0.00 141 E 8.95 3.98 0.00 1.96 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 2.30 2.34 0.00 142 D 7.53 4.60 0.00 2.80 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 0.00 143 E 7.79 4.89 0.00 2.04 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 0.00 2.19 2.26 0.00 144 T 9.01 5.27 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 1.30 0.00 0.00 145 T 9.11 5.19 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 0.00 146 A 8.57 5.67 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 147 G 7.98 4.12 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 0.00 0.00 0.00 148 I 7.64 4.47 1.88 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 1.24 1.10 0.92 0.00 0.00 149 E 9.26 3.63 0.00 2.07 1.89 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 2.32 2.28 0.00 150 G 9.03 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 0.00 151 D 7.99 4.65 0.00 2.80 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 0.00 152 D 8.93 4.89 0.00 2.71 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 S 8.30 4.30 0.00 4.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 T 7.83 4.10 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 1.22 0.00 0.00 155 T 7.49 4.27 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 1.28 0.00 0.00 156 E 9.64 4.99 0.00 1.92 1.99 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 2.21 2.26 0.00 157 T 8.41 4.95 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 0.00 158 V 9.22 4.06 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 0.96 0.00 0.00 0.95 0.00 0.00 159 E 8.49 4.69 0.00 1.97 1.91 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 2.26 2.42 0.00 160 R 7.43 4.28 0.00 1.91 1.87 0.00 3.07 0.00 0.00 3.16 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 161 D 8.61 4.76 0.00 2.75 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 0.00 162 V 7.88 4.46 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 0.83 0.00 0.00 0.94 0.00 0.00 163 R 7.80 3.83 0.00 1.85 1.93 0.00 3.28 0.00 0.00 3.57 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.64 0.00 164 P 0.00 4.77 0.00 1.98 1.99 0.00 3.67 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.61 0.00 165 I 7.97 4.27 1.82 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.80 0.83 0.00 0.00 166 I 7.74 4.67 1.69 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 0.99 1.71 0.92 0.00 0.00 *168 G 8.11 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 0.00 169 I 7.81 4.78 1.78 0.00 0.00 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 1.33 1.00 0.92 0.00 0.00 170 Y 9.13 4.90 0.00 2.90 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 0.00 171 T 8.51 4.92 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 1.25 0.00 0.00 172 E 8.90 4.83 0.00 2.11 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 2.23 2.29 0.00 173 L 7.64 4.55 0.00 1.66 1.61 0.95 0.81 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 0.00 174 E 9.37 4.08 0.00 2.06 1.89 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 2.34 2.43 0.00 175 S 8.86 4.15 0.00 3.87 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 N 8.11 4.52 0.00 2.91 3.06 0.00 0.00 6.15 7.46 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 0.00 177 A 7.90 4.20 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 0.00 178 A 7.57 3.90 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 0.00 179 A 8.01 3.92 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 0.00 180 D 7.94 4.28 0.00 2.66 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 0.00 181 L 8.11 4.14 0.00 1.75 1.72 0.93 0.57 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 0.00 182 L 8.42 3.97 0.00 1.70 1.72 0.92 0.67 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 0.00 183 N 8.35 4.32 0.00 2.92 2.89 0.00 0.00 6.99 8.19 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 0.00 184 A 7.74 4.53 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 0.00 185 G 8.11 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 L 7.70 4.25 0.00 1.87 1.61 0.93 0.95 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 0.00 187 N 8.98 4.91 0.00 2.75 2.54 0.00 0.00 6.45 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 0.00 188 A 8.58 5.00 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 0.00 189 H 8.76 4.85 0.00 3.02 3.11 0.00 5.56 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 V 8.46 4.78 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.14 0.00 0.00 191 E 8.87 4.48 0.00 2.01 1.81 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 2.20 2.27 0.00 192 I 8.09 4.61 1.61 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.70 0.11 0.00 0.00 193 N 8.75 4.38 0.00 2.62 2.72 0.00 0.00 6.94 7.63 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 0.00 194 S 8.22 4.00 0.00 3.76 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 R 7.42 4.14 0.00 1.62 1.70 0.00 3.11 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 196 F 8.47 5.28 0.00 3.07 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 0.00 197 T 8.57 4.27 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 1.24 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.