NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 105 G 3.9616 8.1976 109.7339 45.7952 0.0000 176.0177 106 S 3.8621 7.8927 115.3826 59.9054 63.0533 172.7583 107 E 4.0661 8.2731 122.2588 57.8148 29.9110 178.9886 108 E 3.9567 7.8899 119.0847 59.0840 29.8120 178.3557 109 S 4.1242 8.5779 115.7851 61.0433 62.7313 176.2069 110 L 3.9142 7.7358 123.2180 58.2290 41.8754 179.0076 111 K 3.8426 7.7315 118.2765 59.9139 31.6273 179.0446 112 H 4.2360 8.1453 115.8936 59.0238 28.3583 177.8504 113 A 4.0488 8.3660 122.8456 55.3454 18.1681 179.8734 114 T 3.8709 8.7277 115.2493 66.6720 68.7327 176.8552 115 R 4.2968 8.0960 117.0423 58.3629 29.3247 178.6391 116 I 4.0421 7.5100 120.8294 64.0503 37.1020 178.2887 117 I 3.7592 7.5118 120.5204 64.5169 36.9591 177.8221 118 D 4.4284 8.1182 119.6995 57.8164 40.6606 179.1292 119 E 3.9982 8.1559 118.3969 59.1399 29.3731 179.5306 120 V 3.5982 7.5269 117.9423 66.0319 31.6199 178.2757 121 V 3.6880 7.9328 118.0071 66.1610 31.3891 177.9275 122 S 4.1071 8.5045 113.2927 61.2361 62.1603 176.0450 123 K 4.0457 8.3097 122.4584 59.0572 31.9155 178.7695 124 F 4.2711 8.0388 120.9886 61.2678 39.3456 177.2058 125 L 3.7724 8.1132 118.7050 57.7366 41.3182 179.3260 126 D 4.3098 8.1061 118.9170 57.4126 40.8419 178.4842 127 D 4.2978 8.1035 119.5283 57.1224 40.6756 178.6575 128 L 3.8052 7.9951 121.3396 58.0180 42.0052 179.2079 129 G 3.5676 8.3085 106.0762 47.9695 0.0000 175.3858 130 N 4.3445 8.2778 118.4650 55.8067 38.4286 177.5040 131 A 3.9400 7.8095 122.2927 54.8298 18.4796 179.4865 132 K 3.8144 8.2456 118.7257 59.7679 32.3172 179.1718 133 S 4.2005 8.2395 114.6251 61.7203 62.8435 175.9460 134 H 4.2014 8.2372 121.8545 58.9296 29.5153 177.3245 135 L 3.9782 8.3091 121.3194 57.9537 41.4433 179.2890 136 M 4.1409 8.5500 119.1912 58.3147 31.6145 178.7767 137 S 4.1141 7.9842 112.5027 61.4787 63.0526 175.9683 138 L 4.1174 7.8917 121.7169 57.7792 41.2330 178.8960 139 Y 4.2291 8.5050 120.2608 60.6144 38.6469 177.5788 140 S 4.1700 8.1766 111.6537 59.5218 63.2980 175.1476 141 A 4.2860 7.6844 123.9700 54.0690 18.7301 178.7478 142 C 4.2263 7.5156 114.0649 62.1490 29.0393 175.3871 143 S 3.8973 7.6591 113.8198 60.2138 62.1587 174.4495 *151 V 3.7676 7.0186 117.6501 61.1472 32.3511 175.1165 152 D 4.5850 8.2688 118.9607 53.4336 41.0557 176.5106 153 Q 3.9749 8.5020 127.0642 58.8513 28.8152 178.2043 154 K 3.8797 8.2500 120.1700 59.6924 32.0824 178.2884 155 F 4.3014 8.4807 120.2674 61.3085 39.4586 177.0622 156 Q 3.8431 8.3132 119.2038 59.2748 28.6274 178.7353 157 S 4.0746 8.5648 116.5987 61.5735 62.6904 176.5335 158 I 3.6392 7.1145 121.3886 64.3429 37.0054 178.4200 159 V 3.5182 7.5231 118.9814 65.8868 31.1223 177.8692 160 I 3.6300 7.4576 118.6585 64.6484 37.0603 178.1818 161 G 3.6710 7.6731 104.1988 46.0335 0.0000 173.9177 162 C 4.2880 7.8963 119.1598 58.9240 28.9915 174.0491 163 A 4.0696 8.4133 124.5326 52.1049 19.7974 178.3771 164 L 3.8524 8.5767 124.7488 58.5575 42.1594 179.4967 165 E 3.9612 8.1602 117.6133 59.7310 29.4903 178.9742 166 D 4.4122 8.0242 118.2091 57.3034 40.7598 178.7123 167 Q 3.9664 8.3387 119.0186 59.0099 28.6825 179.0227 168 K 3.9392 7.8391 118.9678 59.2979 32.0398 179.2388 169 K 3.9201 7.9285 119.3365 59.5481 32.1367 178.7227 170 I 3.7278 7.8361 119.9251 64.4426 37.1297 178.0569 171 K 3.9986 8.3275 120.4766 59.8721 31.8840 178.6972 172 R 4.1292 8.3880 119.0021 59.3630 29.9666 178.4004 173 R 3.9117 8.2494 118.6381 59.3790 29.9957 178.3932 174 L 4.0028 8.1039 118.6984 57.9696 41.6943 179.3783 175 E 3.7125 8.2674 118.3146 59.6804 29.3269 179.6324 176 T 3.8609 8.2731 116.0805 66.6232 68.4500 176.7877 177 L 3.9906 8.5993 121.2831 57.8387 41.5080 179.6421 178 L 3.9783 8.2411 119.2376 57.3348 41.5437 179.6811 179 R 3.8218 7.8584 118.9672 59.3896 30.0661 178.0581 180 N 4.2938 8.3827 116.7037 56.5356 38.5252 177.1850 181 I 3.6397 8.0943 120.2136 64.1329 38.0310 177.3842 182 D 4.2822 7.8438 118.8577 57.3215 41.0820 177.9849 183 N 4.4366 8.0139 116.7061 55.9128 38.3031 177.3558 184 S 4.1464 7.9939 114.2864 61.2324 62.7884 175.3787 185 D 4.4628 8.3159 121.1094 57.3405 40.8689 178.4914 186 K 4.0473 7.9408 117.3960 59.5988 32.4985 178.4625 187 A 4.3644 7.7556 120.9454 53.5846 18.4143 177.2491 188 I 4.1014 7.6216 118.2525 60.5046 36.5647 176.1814 189 K 4.2053 8.4493 124.0010 56.3472 32.2084 176.7211 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 105 G 8.20 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 0.00 106 S 7.89 3.86 0.00 4.13 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 0.00 107 E 8.27 4.07 0.00 2.01 1.96 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 2.36 2.29 0.00 108 E 7.89 3.96 0.00 2.07 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 2.31 2.25 0.00 109 S 8.58 4.12 0.00 4.00 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 0.00 110 L 7.74 3.91 0.00 1.95 1.76 0.91 0.67 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 0.00 111 K 7.73 3.84 0.00 1.90 1.86 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.73 7.81 112 H 8.15 4.24 0.00 3.34 3.31 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 0.00 113 A 8.37 4.05 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 0.00 114 T 8.73 3.87 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 1.22 0.00 0.00 115 R 8.10 4.30 0.00 2.07 2.20 0.00 2.78 0.00 0.00 3.19 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.67 0.00 116 I 7.51 4.04 2.01 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 1.52 1.04 0.91 0.00 0.00 117 I 7.51 3.76 1.99 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 1.80 0.99 0.91 0.00 0.00 118 D 8.12 4.43 0.00 2.88 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 0.00 119 E 8.16 4.00 0.00 2.20 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 2.34 2.57 0.00 120 V 7.53 3.60 2.24 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 1.00 0.00 0.00 1.00 0.00 0.00 121 V 7.93 3.69 2.26 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 1.02 0.00 0.00 1.00 0.00 0.00 122 S 8.50 4.11 0.00 4.14 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 0.00 123 K 8.31 4.05 0.00 1.95 2.10 0.00 1.59 0.00 0.00 1.59 0.00 0.00 3.42 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.55 7.81 124 F 8.04 4.27 0.00 3.14 3.27 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 0.00 125 L 8.11 3.77 0.00 1.83 1.63 0.94 0.92 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 0.00 126 D 8.11 4.31 0.00 2.82 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.10 4.30 0.00 2.77 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 0.00 128 L 8.00 3.81 0.00 1.00 1.48 0.73 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 129 G 8.31 3.57 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 0.00 0.00 0.00 130 N 8.28 4.34 0.00 2.86 2.86 0.00 0.00 6.86 7.43 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 0.00 131 A 7.81 3.94 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 0.00 132 K 8.25 3.81 0.00 1.85 1.95 0.00 1.60 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.41 7.81 133 S 8.24 4.20 0.00 4.07 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 0.00 134 H 8.24 4.20 0.00 3.37 3.35 0.00 5.60 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.31 3.98 0.00 1.83 1.67 0.88 0.89 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 0.00 136 M 8.55 4.14 0.00 2.02 2.29 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.68 0.00 137 S 7.98 4.11 0.00 3.94 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 0.00 138 L 7.89 4.12 0.00 1.74 1.14 0.47 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 139 Y 8.51 4.23 0.00 3.11 3.21 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 0.00 140 S 8.18 4.17 0.00 4.08 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 0.00 141 A 7.68 4.29 1.57 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 0.00 0.00 142 C 7.52 4.23 0.00 2.86 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 0.00 143 S 7.66 3.90 0.00 3.03 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.02 3.77 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 0.75 0.00 0.00 0.96 0.00 0.00 152 D 8.27 4.58 0.00 2.77 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 0.00 153 Q 8.50 3.97 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.61 0.00 0.00 0.00 0.00 0.00 2.46 2.37 0.00 154 K 8.25 3.88 0.00 1.86 2.07 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.61 1.56 7.81 155 F 8.48 4.30 0.00 3.35 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 Q 8.31 3.84 0.00 2.23 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.60 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 157 S 8.56 4.07 0.00 3.98 3.86 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 0.00 158 I 7.11 3.64 1.81 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 1.69 0.78 0.84 0.00 0.00 159 V 7.52 3.52 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 0.88 0.00 0.00 0.22 0.00 0.00 160 I 7.46 3.63 1.99 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 0.81 0.87 0.00 0.00 161 G 7.67 3.67 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 0.00 0.00 0.00 162 C 7.90 4.29 0.00 3.01 2.83 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 0.00 163 A 8.41 4.07 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 0.00 164 L 8.58 3.85 0.00 1.67 1.68 0.91 1.01 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 0.00 165 E 8.16 3.96 0.00 2.01 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 2.40 2.35 0.00 166 D 8.02 4.41 0.00 2.90 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 0.00 167 Q 8.34 3.97 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.79 0.00 0.00 0.00 0.00 0.00 2.46 2.61 0.00 168 K 7.84 3.94 0.00 1.93 1.88 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.63 7.81 169 K 7.93 3.92 0.00 1.85 2.00 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.50 7.81 170 I 7.84 3.73 2.08 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 1.64 1.01 1.03 0.00 0.00 171 K 8.33 4.00 0.00 1.84 2.05 0.00 1.61 0.00 0.00 1.61 0.00 0.00 3.22 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.63 1.57 7.81 172 R 8.39 4.13 0.00 2.08 2.16 0.00 3.29 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 173 R 8.25 3.91 0.00 1.96 2.10 0.00 3.19 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 174 L 8.10 4.00 0.00 2.29 1.93 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 175 E 8.27 3.71 0.00 2.14 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 2.22 2.82 0.00 176 T 8.27 3.86 4.38 0.00 0.00 0.00 0.00 0.00 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 0.00 177 L 8.60 3.99 0.00 1.82 1.69 0.91 0.85 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 0.00 178 L 8.24 3.98 0.00 1.70 1.59 0.63 0.68 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 0.00 179 R 7.86 3.82 0.00 2.00 2.04 0.00 3.09 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 180 N 8.38 4.29 0.00 2.89 2.86 0.00 0.00 6.72 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 0.00 181 I 8.09 3.64 2.03 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 1.38 1.80 0.90 0.00 0.00 182 D 7.84 4.28 0.00 2.86 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 0.00 183 N 8.01 4.44 0.00 2.98 2.85 0.00 0.00 6.56 6.53 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 0.00 184 S 7.99 4.15 0.00 3.91 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 0.00 185 D 8.32 4.46 0.00 2.70 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 0.00 186 K 7.94 4.05 0.00 1.97 1.94 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.64 1.47 7.81 187 A 7.76 4.36 1.45 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 0.00 188 I 7.62 4.10 2.06 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 1.49 1.21 0.99 0.00 0.00 189 K 8.45 4.21 0.00 1.73 1.70 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.41 7.81 * Residues marked with a * may have inaccurate shift predictions.