NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 84 A 4.3681 8.1233 123.5877 52.2227 20.9586 179.2323 85 N 4.1149 8.3560 112.8745 55.7250 38.7727 172.5686 86 E 4.0705 9.2001 118.3256 59.6318 30.2625 178.2319 87 R 4.0181 7.5041 115.6025 56.9167 29.5585 178.2000 *89 N 4.6942 8.2719 116.1361 53.6327 40.1483 177.7178 90 L 4.0959 7.2846 112.3434 55.6013 41.0552 177.4106 *92 N 4.4501 8.1190 114.3820 53.2264 40.1196 176.4650 *94 A 4.3569 7.9896 122.8137 52.2995 20.8306 179.8748 95 K 3.9246 8.1070 114.8131 59.8702 32.1275 179.0864 96 L 3.9814 7.7509 118.3560 58.2420 41.5707 179.3584 97 S 4.1676 8.2402 114.2086 62.6149 62.7887 176.2917 98 I 3.4813 8.4470 122.1796 63.8461 36.7902 178.0824 99 K 3.8824 8.7303 120.3211 60.0279 32.1605 179.1214 100 G 3.6035 8.5794 105.7090 47.8046 0.0000 175.1245 101 L 4.0111 8.4059 123.3926 57.8844 41.9592 179.2877 102 I 3.6448 8.1553 120.0391 64.4349 36.6711 178.1098 103 E 4.0241 8.4461 120.2961 59.2393 29.2647 178.8827 104 S 4.0437 8.6281 115.4891 60.9069 62.9891 176.0960 105 A 4.1122 8.0178 123.3941 54.4806 18.1490 178.6772 106 L 3.8221 8.1257 119.0615 58.5620 42.1618 178.4685 107 N 4.4222 7.7239 116.4566 56.2236 38.7467 176.6615 108 L 4.0716 7.4545 119.3911 56.6749 43.4531 177.3223 109 G 3.8974 7.5161 103.8087 44.4369 0.0000 171.8516 110 R 4.2071 6.8957 117.5802 55.9141 33.0607 173.7248 111 T 4.1038 8.4289 119.7215 63.7183 68.3850 174.5508 112 L 4.2227 8.5449 127.3343 54.6066 43.5244 175.5808 113 D 4.7694 8.1366 118.4643 50.6225 43.2382 176.2383 114 S 4.6680 8.4919 110.9767 59.3470 62.5324 174.1036 115 D 4.7641 8.3459 118.5775 54.5210 41.6198 176.0197 116 Y 4.4880 7.7901 121.9689 56.1487 39.1880 175.1241 117 A 3.8806 8.3461 130.2615 55.1638 18.4118 177.0153 118 P 4.0175 0.0000 0.0000 65.5441 30.9121 178.4978 119 L 3.8502 7.7889 118.3775 58.4672 42.0727 178.8692 120 Q 4.0729 8.0843 117.8901 58.9475 28.5298 178.8699 121 Q 3.9555 8.2970 121.0101 59.0163 28.8700 177.6993 122 F 4.2040 7.7072 120.4491 61.6300 39.3979 176.5942 123 F 4.2887 7.1577 115.2032 60.7724 39.2365 177.3010 124 V 3.8551 7.5430 117.6272 66.0923 31.2633 179.4156 125 V 3.6085 7.3017 114.6203 63.5035 31.2636 177.0600 *127 E 3.7427 8.3313 120.4395 55.8844 30.9435 177.5760 128 H 4.2496 8.0087 113.8294 58.7600 29.2936 176.7448 129 C 4.3421 8.0749 117.1399 62.5447 28.0594 175.4100 130 L 4.5099 7.6569 116.7518 55.9655 41.5546 177.4082 131 K 4.2695 7.6321 116.6654 56.7440 32.8030 176.1074 132 H 4.4112 7.8224 119.0808 59.0209 29.2015 175.1010 133 G 4.2806 8.9119 114.6785 44.9578 0.0000 172.2413 134 L 4.4088 7.4591 119.0275 54.1998 42.3186 176.7532 135 K 4.7826 8.2676 119.2961 56.3858 35.4720 175.7837 136 A 4.7575 8.5915 127.7783 51.0037 21.4668 177.3878 137 K 4.1287 8.4500 118.9644 56.5475 32.8923 177.1037 138 K 4.2029 8.6192 124.6600 56.4423 33.0333 176.2986 139 T 3.8606 7.9213 112.7929 63.0779 67.5950 173.8032 140 F 4.2854 9.0598 130.5639 61.4892 39.5151 175.7676 141 L 3.9954 8.0084 116.9268 54.6472 41.6272 176.6169 142 G 3.6490 7.8264 106.8314 46.7508 0.0000 174.2635 143 Q 4.2035 7.9397 121.8355 53.4599 28.8415 174.1848 144 N 4.3259 8.4857 124.4205 53.8686 38.5026 174.7395 145 K 4.2429 8.5925 124.9923 56.2412 33.7927 178.7348 146 S 3.5577 7.3574 114.4560 59.6033 61.9244 173.6114 147 F 4.5087 8.3218 112.1089 56.6794 38.2804 176.2144 148 W 4.5222 8.0156 133.1784 60.8207 30.8375 177.6690 149 G 3.2401 7.9132 106.7359 47.8692 0.0000 173.4762 150 P 3.9964 0.0000 0.0000 64.5254 31.6824 177.5605 151 L 3.8299 7.6025 117.8988 56.5463 41.9360 178.4312 152 E 3.3682 7.2566 117.7682 57.8388 29.0859 178.4417 153 L 4.1457 7.3375 118.7138 56.2126 42.1483 178.4663 154 V 3.6064 7.4285 119.0944 66.1770 31.0831 177.7330 155 E 4.1636 7.9636 115.2201 59.2031 29.4756 177.7236 156 K 4.4554 7.7733 118.0902 55.9260 32.1522 177.3408 157 L 4.7052 7.7201 117.2371 55.4025 48.7527 176.5694 158 V 4.4884 8.1337 118.5400 60.5262 34.6701 173.2473 159 P 4.2931 0.0000 0.0000 66.0182 31.2416 178.3139 160 E 4.1220 8.4300 114.7237 58.6905 29.7798 178.6013 161 A 4.3240 8.5158 122.1656 53.5683 18.7138 178.8417 162 A 4.1186 7.9952 117.5710 54.0086 18.3424 178.6034 163 E 4.2344 8.0618 118.1185 58.4964 30.1571 177.9011 164 I 3.9625 7.6719 112.4703 63.9674 37.9924 177.7514 165 T 4.4618 8.4441 115.9536 65.4771 68.5086 175.3358 166 A 4.5272 7.9455 122.2220 53.8510 19.7120 178.8911 167 S 4.1188 7.5531 112.6569 62.1478 63.0818 176.8628 168 V 3.7758 7.4562 112.9505 64.5731 31.5199 178.5952 169 K 4.2165 8.0873 117.2634 59.5946 31.8212 179.6379 170 D 5.1234 7.9669 116.2555 53.6639 41.3410 176.3942 171 L 4.5038 7.8097 123.1781 52.3327 42.6251 174.2039 172 P 4.3837 0.0000 0.0000 63.2257 32.0078 178.0200 173 G 3.9220 8.7164 107.1535 45.5529 0.0000 173.9330 174 L 4.3603 7.0638 121.7035 53.2951 40.4302 175.6417 175 K 4.0642 7.5593 123.0977 56.2106 33.1123 177.0978 176 T 3.6921 7.6871 105.7229 61.8633 69.7157 172.8800 177 P 3.7490 0.0000 0.0000 65.8236 31.3745 178.8367 178 V 3.0466 7.5907 116.1479 65.7756 31.0905 178.0807 179 G 3.4669 7.8946 105.5226 47.4323 0.0000 176.0660 180 R 3.6499 7.7070 120.8922 58.7198 29.9266 179.1437 181 G 3.9082 7.1546 104.9426 47.9956 0.0000 175.7199 182 R 3.8537 8.2586 120.4467 58.9627 30.1710 179.1064 183 A 3.8093 7.6514 120.6937 54.4529 18.2301 179.3435 184 W 4.0485 8.5634 127.3279 60.7806 30.7672 177.8546 185 L 3.7678 8.1733 118.8044 58.1888 40.8470 179.8917 186 R 3.3273 6.7586 115.7787 58.9782 29.8380 178.8605 187 L 4.0685 7.1525 117.2541 57.6085 42.1116 179.1125 188 A 4.0902 7.8065 120.8152 54.3554 18.2089 178.7102 189 L 4.2311 7.7412 117.7341 56.1820 41.8671 178.2827 *191 Q 4.2122 8.0349 117.0560 53.9292 30.5697 176.4309 192 K 4.1467 7.7472 114.7862 57.4737 30.1794 176.7370 193 K 4.1115 7.2747 117.0126 56.0486 32.0983 177.6117 194 L 4.0359 7.4568 121.1656 58.6165 42.0127 178.3487 195 S 4.2978 8.0977 112.7476 62.0755 62.6626 175.5974 196 E 3.9928 7.9053 121.1369 58.7673 29.7493 177.8565 197 Y 4.3532 7.6937 116.1526 59.2766 39.4958 178.5159 *199 K 4.2768 8.0763 122.8370 56.4672 34.1377 177.4830 200 A 4.0719 8.1093 119.4927 55.4727 18.4506 179.1967 201 L 4.0509 8.0249 116.7099 58.1518 41.5706 179.3766 202 I 3.6152 7.8007 118.5859 64.7966 37.1551 177.2565 203 N 4.7372 7.7879 113.0878 53.3918 39.6310 175.4381 204 K 4.6912 8.6405 120.0788 55.4732 32.7717 177.5668 205 K 4.2456 7.9000 114.9817 57.7273 32.5644 178.7924 206 E 4.1531 8.0931 119.4161 58.3718 29.9054 177.5067 207 L 4.4624 7.7115 117.4099 55.7593 43.4074 177.8024 208 L 4.2754 8.0078 119.3934 56.6005 42.0065 178.2094 209 S 4.4221 7.8201 111.4363 60.6053 63.8519 175.0665 210 E 3.8991 8.1965 122.4398 58.9193 29.5842 177.4134 211 F 4.6952 8.0802 116.4642 59.1266 40.5713 175.7287 212 Y 4.9521 7.8513 114.3869 56.4330 40.0052 177.6052 213 E 4.4347 8.9007 121.6062 56.5576 30.2873 176.7386 214 V 4.0473 8.6015 118.4567 63.4513 32.4063 175.8681 215 N 4.9719 7.9357 117.6398 52.0900 37.4942 174.1447 216 A 4.5748 7.9099 120.9431 52.2251 20.1761 179.3667 217 L 4.1138 7.9545 122.3773 55.0623 39.5429 175.4113 *220 E 4.1622 7.7766 122.4803 55.2518 31.4276 176.2530 221 E 3.9009 8.7627 118.6174 60.0803 29.2868 178.2933 222 E 4.0540 8.4212 117.9895 59.5380 29.4143 179.4085 223 G 3.6354 7.9559 105.1018 47.9374 0.0000 175.5398 224 A 4.0142 7.9092 123.4094 54.7245 18.2670 179.1176 225 I 3.6272 7.8748 117.4595 64.9764 37.5311 178.1772 226 I 3.8601 8.3237 120.2385 64.5862 36.6571 178.4977 227 A 4.2034 8.3623 121.6573 54.8252 17.9967 179.2616 228 G 3.6556 8.3011 102.5105 46.1526 0.0000 174.9482 229 L 4.4913 7.7763 120.5482 55.8739 42.6147 178.0280 230 L 4.2620 7.3785 118.4019 56.0603 41.3738 179.1729 231 V 3.6779 7.6815 119.6964 65.8715 31.3878 177.7520 232 G 3.7942 8.0491 102.6823 46.6975 0.0000 174.2146 233 L 4.2693 7.6200 120.1930 55.9125 41.8023 178.2889 234 N 4.2732 8.2137 116.8986 56.0763 38.6181 176.7312 235 V 3.7679 7.6014 116.1257 63.6055 32.0271 176.6831 236 I 3.8038 7.6183 122.4699 61.5153 37.5296 175.8347 237 D 4.8723 8.3649 124.4620 52.6202 41.2573 175.5347 238 A 4.5267 7.9229 125.0417 50.1854 21.6012 176.2386 239 N 4.3795 7.5615 110.5364 53.6435 41.0090 173.6247 240 F 4.8553 9.2301 124.2588 56.3374 41.1933 175.0534 241 C 4.4902 8.5737 117.8433 58.2605 30.0102 173.0327 *243 K 4.0824 8.1084 121.5002 56.9804 32.6419 174.6265 244 G 4.1133 7.6478 105.9653 45.3034 0.0000 172.2348 245 E 4.7631 8.6546 124.5029 55.0262 32.2806 175.7797 246 D 4.6852 8.1918 118.0373 55.3459 44.6975 176.5840 247 L 4.1803 7.9100 120.7210 57.0442 42.0876 177.1842 248 D 4.6066 7.9167 117.9055 53.6695 41.7563 176.1752 249 S 4.3469 8.5282 116.4273 58.3954 62.4853 173.5922 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 84 A 8.12 4.37 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 85 N 8.36 4.11 0.00 2.81 2.90 0.00 0.00 6.82 6.78 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 86 E 9.20 4.07 0.00 1.98 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 2.44 2.43 0.00 87 R 7.50 4.02 0.00 2.25 1.98 0.00 3.18 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.60 0.00 *89 N 8.27 4.69 0.00 2.92 2.93 0.00 0.00 7.13 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 7.28 4.10 0.00 1.81 1.70 0.98 1.08 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 *92 N 8.12 4.45 0.00 2.78 2.87 0.00 0.00 6.86 7.95 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 *94 A 7.99 4.36 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 95 K 8.11 3.92 0.00 1.99 1.90 0.00 1.70 0.00 0.00 1.83 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.57 7.81 96 L 7.75 3.98 0.00 1.72 1.74 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 97 S 8.24 4.17 0.00 4.29 4.19 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 0.00 0.00 0.00 98 I 8.45 3.48 1.88 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.93 0.89 0.00 0.00 99 K 8.73 3.88 0.00 1.82 1.94 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.49 7.81 100 G 8.58 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 8.41 4.01 0.00 1.80 1.76 1.03 0.70 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 0.00 102 I 8.16 3.64 1.97 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 0.64 0.87 0.00 0.00 103 E 8.45 4.02 0.00 2.14 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 2.40 0.00 104 S 8.63 4.04 0.00 4.16 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 0.00 105 A 8.02 4.11 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 0.00 106 L 8.13 3.82 0.00 1.68 1.82 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 107 N 7.72 4.42 0.00 2.56 2.87 0.00 0.00 7.10 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 0.00 108 L 7.45 4.07 0.00 1.87 1.76 0.76 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 109 G 7.52 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 R 6.90 4.21 0.00 1.63 1.64 0.00 3.24 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.45 0.00 111 T 8.43 4.10 4.17 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 1.22 0.00 0.00 112 L 8.54 4.22 0.00 1.40 1.33 0.70 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 113 D 8.14 4.77 0.00 2.61 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.49 4.67 0.00 4.24 4.33 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 0.00 115 D 8.35 4.76 0.00 2.89 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 0.00 116 Y 7.79 4.49 0.00 2.87 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 0.00 117 A 8.35 3.88 1.17 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 0.00 0.00 118 P 0.00 4.02 0.00 1.86 1.97 0.00 2.20 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.75 0.00 119 L 7.79 3.85 0.00 1.96 1.96 0.89 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 120 Q 8.08 4.07 0.00 2.31 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.58 0.00 0.00 0.00 0.00 0.00 2.56 2.62 0.00 121 Q 8.30 3.96 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.73 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 122 F 7.71 4.20 0.00 2.90 3.11 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 0.00 123 F 7.16 4.29 0.00 3.20 2.93 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 0.00 124 V 7.54 3.86 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 1.01 0.00 0.00 1.03 0.00 0.00 125 V 7.30 3.61 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.99 0.00 0.00 *127 E 8.33 3.74 0.00 1.91 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 2.23 1.95 0.00 128 H 8.01 4.25 0.00 3.33 3.39 0.00 5.90 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 C 8.07 4.34 0.00 2.99 2.98 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 0.00 130 L 7.66 4.51 0.00 1.42 1.75 0.76 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 131 K 7.63 4.27 0.00 1.84 1.89 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.18 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.66 1.67 7.81 132 H 7.82 4.41 0.00 3.39 3.42 0.00 5.56 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 0.00 133 G 8.91 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 0.00 0.00 0.00 0.00 134 L 7.46 4.41 0.00 1.43 1.49 0.94 0.44 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 0.00 135 K 8.27 4.78 0.00 1.60 1.58 0.00 1.99 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.55 1.55 7.81 136 A 8.59 4.76 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 0.00 137 K 8.45 4.13 0.00 1.89 2.07 0.00 1.57 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.36 7.81 138 K 8.62 4.20 0.00 1.73 1.87 0.00 1.76 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.42 7.81 139 T 7.92 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 1.27 0.00 0.00 140 F 9.06 4.29 0.00 2.94 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 L 8.01 4.00 0.00 1.68 1.65 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 142 G 7.83 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 Q 7.94 4.20 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.06 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 144 N 8.49 4.33 0.00 2.68 2.73 0.00 0.00 7.27 6.68 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 0.00 145 K 8.59 4.24 0.00 1.76 1.86 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.63 1.64 7.81 146 S 7.36 3.56 0.00 3.83 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 F 8.32 4.51 0.00 3.16 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 0.00 148 W 8.02 4.52 0.00 2.82 2.91 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 0.00 149 G 7.91 3.24 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 0.00 0.00 0.00 150 P 0.00 4.00 0.00 2.25 2.56 0.00 3.44 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.67 0.00 151 L 7.60 3.83 0.00 1.18 0.26 1.23 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 152 E 7.26 3.37 0.00 1.59 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 153 L 7.34 4.15 0.00 1.65 1.70 1.10 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 154 V 7.43 3.61 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 0.97 0.00 0.00 0.89 0.00 0.00 155 E 7.96 4.16 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 156 K 7.77 4.46 0.00 1.89 1.86 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.35 7.81 157 L 7.72 4.71 0.00 1.86 1.71 0.96 0.90 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 0.00 158 V 8.13 4.49 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 1.14 0.00 0.00 159 P 0.00 4.29 0.00 2.27 2.15 0.00 3.75 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 2.16 2.17 0.00 160 E 8.43 4.12 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 161 A 8.52 4.32 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 0.00 162 A 8.00 4.12 1.38 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 0.00 0.00 0.00 163 E 8.06 4.23 0.00 2.10 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 2.38 2.40 0.00 164 I 7.67 3.96 1.82 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.77 0.99 0.00 0.00 165 T 8.44 4.46 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 1.06 0.00 0.00 166 A 7.95 4.53 1.42 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 0.00 0.00 0.00 167 S 7.55 4.12 0.00 4.06 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 0.00 168 V 7.46 3.78 1.95 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 0.85 0.00 0.00 1.18 0.00 0.00 169 K 8.09 4.22 0.00 2.10 1.92 0.00 1.74 0.00 0.00 1.89 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.70 1.87 7.81 170 D 7.97 5.12 0.00 2.69 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 0.00 171 L 7.81 4.50 0.00 1.66 1.79 0.92 0.83 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 0.00 172 P 0.00 4.38 0.00 2.21 1.97 0.00 3.70 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 173 G 8.72 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 0.00 0.00 0.00 174 L 7.06 4.36 0.00 1.46 1.66 0.88 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 175 K 7.56 4.06 0.00 1.73 1.63 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.39 1.38 7.81 176 T 7.69 3.69 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 1.15 0.00 0.00 177 P 0.00 3.75 0.00 2.01 2.16 0.00 3.49 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.32 0.00 178 V 7.59 3.05 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 1.14 0.00 0.00 0.67 0.00 0.00 179 G 7.89 3.47 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 0.00 180 R 7.71 3.65 0.00 0.67 0.66 0.00 2.49 0.00 0.00 2.82 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.29 0.00 181 G 7.15 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 0.00 182 R 8.26 3.85 0.00 1.81 1.90 0.00 3.14 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.07 0.00 183 A 7.65 3.81 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 0.00 184 W 8.56 4.05 0.00 3.55 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.17 3.77 0.00 1.34 1.48 0.70 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 186 R 6.76 3.33 0.00 1.47 0.76 0.00 2.81 0.00 0.00 2.69 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.84 0.00 187 L 7.15 4.07 0.00 1.53 1.60 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 188 A 7.81 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 L 7.74 4.23 0.00 2.12 2.07 1.12 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 *191 Q 8.03 4.21 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.73 6.05 0.00 0.00 0.00 0.00 0.00 2.37 2.60 0.00 192 K 7.75 4.15 0.00 1.91 1.87 0.00 1.66 0.00 0.00 1.96 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.39 7.81 193 K 7.27 4.11 0.00 1.32 0.80 0.00 1.51 0.00 0.00 1.42 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.47 7.81 194 L 7.46 4.04 0.00 1.77 1.77 1.04 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 195 S 8.10 4.30 0.00 4.06 4.19 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 0.00 0.00 0.00 196 E 7.91 3.99 0.00 1.81 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 2.20 2.33 0.00 197 Y 7.69 4.35 0.00 3.32 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *199 K 8.08 4.28 0.00 1.84 2.08 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.47 7.81 200 A 8.11 4.07 1.46 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 0.00 0.00 201 L 8.02 4.05 0.00 1.73 1.71 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 202 I 7.80 3.62 1.88 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 1.53 0.29 0.90 0.00 0.00 203 N 7.79 4.74 0.00 2.89 2.86 0.00 0.00 6.81 7.11 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 0.00 204 K 8.64 4.69 0.00 1.79 1.70 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.58 1.55 7.81 205 K 7.90 4.25 0.00 1.74 1.86 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.67 7.81 206 E 8.09 4.15 0.00 1.93 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 2.31 2.39 0.00 207 L 7.71 4.46 0.00 1.69 1.65 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 208 L 8.01 4.28 0.00 1.86 1.70 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 209 S 7.82 4.42 0.00 4.03 4.15 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 0.00 210 E 8.20 3.90 0.00 1.67 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.94 0.00 211 F 8.08 4.70 0.00 3.22 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 0.00 212 Y 7.85 4.95 0.00 3.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 E 8.90 4.43 0.00 1.87 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 2.55 2.43 0.00 214 V 8.60 4.05 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 0.78 0.00 0.00 0.95 0.00 0.00 215 N 7.94 4.97 0.00 2.83 2.92 0.00 0.00 6.00 7.26 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 0.00 216 A 7.91 4.57 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 L 7.95 4.11 0.00 1.46 1.68 0.94 0.94 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 *220 E 7.78 4.16 0.00 2.11 1.94 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 2.50 2.27 0.00 221 E 8.76 3.90 0.00 2.03 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 2.39 2.42 0.00 222 E 8.42 4.05 0.00 2.08 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 2.55 2.46 0.00 223 G 7.96 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 224 A 7.91 4.01 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 0.00 225 I 7.87 3.63 2.04 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 1.73 0.85 0.92 0.00 0.00 226 I 8.32 3.86 1.91 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 1.49 0.96 0.99 0.00 0.00 227 A 8.36 4.20 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 0.00 228 G 8.30 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 L 7.78 4.49 0.00 1.88 1.73 0.94 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 230 L 7.38 4.26 0.00 1.87 1.78 1.06 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 231 V 7.68 3.68 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 1.02 0.00 0.00 0.97 0.00 0.00 232 G 8.05 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 0.00 0.00 0.00 233 L 7.62 4.27 0.00 1.81 1.59 0.48 0.08 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 0.00 234 N 8.21 4.27 0.00 2.68 2.86 0.00 0.00 7.00 7.37 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 0.00 235 V 7.60 3.77 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 0.75 0.00 0.00 0.90 0.00 0.00 236 I 7.62 3.80 1.91 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.69 0.84 0.00 0.00 237 D 8.36 4.87 0.00 2.50 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 0.00 238 A 7.92 4.53 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 0.00 239 N 7.56 4.38 0.00 2.68 2.57 0.00 0.00 6.84 7.71 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 0.00 240 F 9.23 4.86 0.00 2.94 3.07 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 0.00 241 C 8.57 4.49 0.00 3.02 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 *243 K 8.11 4.08 0.00 1.75 1.81 0.00 1.86 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.46 7.81 244 G 7.65 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 0.00 0.00 0.00 0.00 245 E 8.65 4.76 0.00 1.91 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 2.24 2.29 0.00 246 D 8.19 4.69 0.00 2.66 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 247 L 7.91 4.18 0.00 1.62 1.73 0.93 1.08 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 0.00 248 D 7.92 4.61 0.00 2.67 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 249 S 8.53 4.35 0.00 3.80 3.70 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 * Residues marked with a * may have inaccurate shift predictions.