NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.9888 8.3549 108.0231 46.3126 0.0000 172.9716 4 M 4.7793 8.6309 124.2721 52.4303 35.8153 173.1070 5 R 4.4679 8.6662 123.7851 56.0518 32.4604 174.8262 6 V 4.8489 8.3428 125.3230 61.4532 34.9126 173.5251 7 Y 4.9204 9.0029 126.5284 57.2271 39.3723 174.5512 8 L 5.3095 9.2209 124.6481 52.9575 45.0640 175.8672 9 G 4.6708 8.7891 108.7707 44.8468 0.0000 171.2218 10 A 5.3131 8.7070 120.5872 50.8022 23.4397 176.7261 11 D 4.4169 8.3555 121.6203 52.4239 43.1438 176.3955 12 H 3.7797 8.7796 114.4419 59.4785 27.8031 177.2085 13 A 4.2699 7.6934 121.7992 53.6827 18.3857 178.7394 14 G 3.9801 7.8750 101.9752 44.6899 0.0000 174.8594 15 Y 4.0214 7.7391 122.6364 60.8095 38.7807 177.8453 16 E 3.8769 8.3957 119.0174 59.3440 29.5650 179.0266 17 L 3.9358 7.8481 119.9285 57.7410 42.1385 178.5701 18 K 3.7985 8.2258 119.9894 59.6554 32.1590 178.5690 19 Q 3.8336 7.6723 118.0977 59.2039 28.5743 179.3799 20 R 3.9494 7.6956 118.8584 59.2069 30.0111 179.2451 21 I 3.7456 7.9859 119.8709 64.2600 37.0797 178.4224 22 I 3.6747 8.0087 121.0563 64.4370 37.0128 178.0910 23 E 3.9194 8.0001 119.5447 59.5011 29.5584 178.3414 24 H 4.1694 8.4502 118.4026 59.2362 29.8591 177.2901 25 L 4.1048 8.2773 122.5872 57.1054 41.3054 179.4930 26 K 3.8959 8.0377 118.4553 59.8018 31.8529 179.3757 27 Q 4.0934 7.9377 116.4568 57.8718 28.4561 177.6087 28 T 4.4678 7.6170 109.5632 61.1372 68.8226 175.6551 29 G 3.7996 7.7669 108.7021 46.0967 0.0000 173.0345 30 H 4.7778 7.9261 116.9201 53.9404 31.7587 174.8961 31 E 4.6734 8.8601 119.5848 53.5270 29.5177 172.1931 32 P 4.9043 0.0000 0.0000 62.2748 32.8807 176.2764 33 I 4.4518 8.7275 123.4260 59.4942 40.4842 174.0035 34 D 4.8662 8.8383 127.8130 53.9100 41.3516 175.5378 35 C 4.5054 9.2395 124.0823 59.7646 28.9840 174.5841 36 G 4.0469 8.8130 106.2045 44.6443 0.0000 173.1878 37 A 4.1999 7.4609 122.6633 51.7329 18.7820 178.1609 38 L 4.5261 8.4322 120.2526 55.5708 42.5156 176.7960 39 R 4.5208 7.3830 113.1109 53.7975 32.6197 173.8296 40 Y 3.3111 7.7114 119.8663 57.0848 39.2236 174.4965 41 D 4.3610 7.6432 125.6525 52.1267 43.0004 175.4022 42 A 3.5928 8.5109 130.4762 54.4557 18.4964 177.4221 43 D 4.6311 7.8412 113.8314 54.0765 41.4828 176.4688 44 D 4.6685 7.7811 119.4131 52.9893 40.2870 175.1763 45 D 4.9949 8.3384 119.5100 52.3056 43.3016 176.8235 46 Y 4.5694 8.5633 123.2046 59.6693 37.9620 176.3750 47 P 4.2384 0.0000 0.0000 65.5379 31.4033 178.1812 48 A 3.8299 7.6445 118.6553 55.2017 18.2479 179.5803 49 F 4.3308 7.5413 115.7278 60.8708 39.0642 177.6581 50 C 4.3084 8.2419 116.0436 62.8365 27.9076 176.1837 51 I 3.7223 8.2402 121.6729 64.1246 36.6489 178.3784 52 A 3.9332 8.1131 121.4666 55.0871 18.2889 179.5435 53 A 3.9691 8.1367 119.0697 55.3663 18.5110 179.8017 54 A 3.9834 8.2150 119.3591 55.4420 18.5456 179.9880 55 T 3.7666 8.2078 114.6745 66.9815 68.3320 177.1796 56 R 3.6911 7.6585 118.5660 59.0637 30.3060 179.0600 57 T 4.2340 7.5736 116.9947 66.2035 68.2993 176.9071 58 V 3.5932 7.6146 118.4723 65.7750 31.6497 177.2495 59 A 4.3214 7.6710 117.7762 52.5030 19.9508 177.0952 60 D 4.8084 7.6193 116.7174 50.7061 41.1051 172.2913 61 P 4.4492 0.0000 0.0000 63.9205 32.2046 176.8019 62 G 4.0355 9.0185 110.9068 45.1081 0.0000 173.8248 63 S 4.6962 7.9563 114.4664 58.1048 65.0275 173.1204 64 L 5.2852 8.9868 120.4745 53.1472 45.6855 175.5304 65 G 4.7057 9.5379 106.1612 45.1840 0.0000 171.9325 66 I 5.1872 8.9599 121.3188 59.4674 41.7172 174.7173 67 V 5.0726 8.8426 119.8786 59.5020 35.0316 174.6500 68 L 5.2116 8.9147 123.9870 53.2512 45.1152 175.7378 69 G 4.0026 7.8478 110.6115 45.6647 0.0000 173.1169 70 G 3.7643 9.1154 106.7093 49.0856 0.0000 176.0837 71 S 4.4695 8.1861 114.4232 57.1055 64.4974 175.3945 72 G 3.9813 8.1932 109.1591 45.7656 0.0000 175.2174 73 N 4.3793 8.2035 117.8168 56.2602 38.6083 177.4417 74 G 3.3641 7.7864 106.5865 47.7528 0.0000 175.4285 75 E 4.0188 7.6449 120.4789 59.2111 29.6443 179.2452 76 Q 4.1106 8.2113 117.7595 59.0954 28.4617 178.5513 77 I 3.7003 7.6524 120.9355 64.1264 37.4552 177.8600 78 A 4.1925 8.2247 121.3225 55.2643 18.2839 179.5627 79 A 4.0084 8.1142 119.2796 55.3630 18.2510 179.3606 80 N 4.5107 8.1693 113.3762 55.4203 38.7001 177.0989 81 K 4.2415 7.7595 119.1494 56.9937 32.6978 177.2775 82 V 3.7450 7.4072 121.0405 61.4336 31.9396 173.4637 83 P 5.0310 0.0000 0.0000 63.8078 31.4221 176.7662 84 G 3.8892 9.4203 111.2790 45.1366 0.0000 173.0785 85 A 4.3459 7.6332 122.4758 51.4334 19.9325 177.2557 86 R 4.6351 9.1038 119.7523 54.6759 33.7375 174.2171 87 C 4.9528 9.3913 125.5760 57.4396 33.3493 173.5007 88 A 4.4513 8.6659 128.7454 51.2889 20.3367 175.4452 89 L 4.8005 8.4243 121.2564 53.7345 43.2958 175.5773 90 A 4.6476 8.7292 129.7228 50.1443 19.7728 176.2537 91 W 4.8226 8.1611 118.1138 56.2256 29.1410 175.7880 92 S 4.4014 6.9902 112.9360 56.4927 66.0242 175.5908 93 V 3.5044 8.0274 121.5880 66.1343 31.2345 177.8427 94 Q 3.8639 7.7417 119.0474 59.3619 29.0197 178.1651 95 T 3.7894 7.5561 110.6052 64.3737 68.7548 176.5878 96 A 3.9710 7.9329 123.4985 54.9677 18.3478 179.5168 97 A 4.0677 8.0187 119.2859 55.3555 18.4039 179.9507 98 L 3.8636 8.0620 117.2766 57.5070 41.5281 179.3803 99 A 4.0306 8.0927 121.0214 55.2872 18.1367 179.9930 100 R 3.8994 7.7529 114.8700 59.3922 30.4464 178.8039 101 E 4.2920 8.5215 120.7480 58.7865 29.4363 177.9718 102 H 4.3918 8.3691 114.1529 57.5169 29.7805 175.9306 103 N 4.5739 8.2416 113.0143 52.7741 39.0196 174.2329 104 N 3.8636 8.1566 115.0947 53.7012 37.3619 173.7988 105 A 4.1668 7.9733 119.1218 52.2819 19.0702 178.6825 106 Q 4.3670 8.7301 121.7058 57.6206 30.2872 175.7545 107 L 6.2000 8.4917 118.0189 51.6856 46.2023 175.6406 108 I 4.8887 7.7282 113.5191 59.0750 41.2615 174.1969 109 G 4.8169 8.8302 111.3872 45.9148 0.0000 172.6365 110 I 4.8966 8.1224 122.7859 59.0720 41.6617 174.8275 111 G 3.9377 8.7628 113.6681 44.9467 0.0000 174.6247 112 G 3.8023 9.0123 117.5310 48.3850 0.0000 173.9786 113 R 4.1994 7.7915 115.9895 57.2675 30.2525 176.8505 114 M 4.3201 7.6410 116.9504 55.7268 32.9606 175.4584 115 H 5.1406 7.6253 114.1223 53.0472 33.1927 173.3620 116 T 4.2633 8.4189 112.0436 61.1773 70.7719 176.0212 117 V 3.5512 8.2238 119.9286 65.9895 31.6472 177.5296 118 A 3.9581 8.0101 120.0298 55.4751 18.3276 179.3729 119 E 3.9176 8.2406 116.7103 59.3401 29.5158 179.4713 120 A 3.9351 8.0798 120.9044 55.2029 18.4636 179.7643 121 L 3.8869 8.1708 117.4112 57.6740 41.6063 179.5947 122 A 4.0100 7.9413 120.6988 54.9737 18.2565 179.7976 123 I 3.5814 7.5542 118.1858 64.4312 37.1735 178.6372 124 V 3.6672 7.8284 119.0350 66.2044 31.1051 177.6096 125 D 4.3948 8.2811 118.2483 57.5323 40.8095 178.8148 126 A 4.0106 7.9863 121.0486 55.0971 18.1391 179.4606 127 F 4.2214 8.1227 118.2081 61.3945 39.6518 177.1596 128 V 3.6607 7.8572 109.3231 62.1381 31.7267 176.6044 129 T 4.4478 7.3593 107.0650 61.4698 70.3467 174.4215 130 T 4.2224 7.5141 119.9592 62.0922 69.0336 172.8541 131 P 4.5193 0.0000 0.0000 61.5669 32.4497 175.4436 132 W 5.0724 8.9492 130.3236 57.1135 31.0457 176.4116 133 S 3.9170 8.4655 120.8691 59.2489 62.6871 175.2518 134 K 2.5310 5.6600 116.6950 56.3599 29.5650 175.8920 135 A 3.9537 6.8922 121.0635 51.7356 19.9361 178.6130 136 Q 3.9025 8.6799 124.6475 59.5926 29.0763 179.6849 137 R 3.9073 7.8643 116.2439 59.6204 29.3877 178.3931 138 H 4.3996 7.9778 116.4021 58.8213 28.8298 177.4118 139 Q 4.2132 8.3604 121.3735 59.0746 28.9094 178.0768 140 R 3.9153 8.4001 120.1598 59.6375 30.1383 178.8167 141 R 3.9933 8.1312 117.8049 59.2223 29.9783 178.9463 142 I 3.7225 8.0136 119.7159 64.6896 37.1314 178.2462 143 D 4.3774 8.4494 119.7708 57.2172 40.5993 178.9128 144 I 3.7291 7.9178 120.4148 64.3601 37.0758 178.2424 145 L 4.0342 8.0349 120.9540 58.1373 41.9116 178.8067 146 A 3.9837 8.3893 121.1067 55.1221 18.1455 179.2643 147 E 3.9071 8.3696 117.9817 59.3619 29.7141 178.3357 148 Y 4.0241 8.0992 119.7925 60.6980 38.9820 177.7102 149 E 3.6758 8.5096 120.4919 59.0125 29.4131 178.8467 150 R 3.8400 7.6519 118.5099 58.7338 30.2765 177.6063 151 T 4.3750 7.2988 106.4924 60.5546 70.3450 173.9613 152 H 2.9925 7.6924 117.0574 56.1953 26.9674 174.1992 153 E 4.3962 7.8181 119.0162 54.5422 29.3929 176.3818 154 A 4.1774 8.7539 128.2006 51.4199 18.9004 175.2081 155 P 4.4843 0.0000 0.0000 61.5144 32.2334 174.7151 156 P 4.3824 0.0000 0.0000 62.8397 31.8703 176.6109 157 V 3.9248 8.0163 113.7005 60.1061 32.4031 174.4783 158 P 4.1528 0.0000 0.0000 63.0163 31.7846 176.9453 *159 G 3.7274 8.5497 109.7316 45.9108 0.0000 172.5354 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 3 G 8.35 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 4 M 8.63 4.78 0.00 1.93 1.87 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.56 0.00 5 R 8.67 4.47 0.00 1.83 1.73 0.00 3.23 0.00 0.00 3.01 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.49 0.00 6 V 8.34 4.85 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 1.04 0.00 0.00 0.91 0.00 0.00 7 Y 9.00 4.92 0.00 3.09 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 8 L 9.22 5.31 0.00 1.61 1.54 0.99 0.64 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 9 G 8.79 4.67 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 10 A 8.71 5.31 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.36 4.42 0.00 3.16 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 12 H 8.78 3.78 0.00 2.53 3.18 0.00 5.27 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 13 A 7.69 4.27 1.36 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 0.00 0.00 0.00 14 G 7.88 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 0.00 0.00 0.00 15 Y 7.74 4.02 0.00 3.18 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.40 3.88 0.00 2.08 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 2.61 2.37 0.00 17 L 7.85 3.94 0.00 1.75 1.79 0.91 0.67 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 18 K 8.23 3.80 0.00 1.86 1.82 0.00 1.68 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.44 7.81 19 Q 7.67 3.83 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.15 1.72 0.00 20 R 7.70 3.95 0.00 1.92 1.95 0.00 3.18 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 21 I 7.99 3.75 1.98 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 1.51 0.76 0.93 0.00 0.00 22 I 8.01 3.67 1.98 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 1.39 0.67 0.89 0.00 0.00 23 E 8.00 3.92 0.00 2.14 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 2.31 2.31 0.00 24 H 8.45 4.17 0.00 3.36 3.47 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.28 4.10 0.00 1.84 1.72 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.04 3.90 0.00 2.00 1.85 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.61 7.81 27 Q 7.94 4.09 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.11 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 28 T 7.62 4.47 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 1.04 0.00 0.00 29 G 7.77 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 0.00 0.00 0.00 30 H 7.93 4.78 0.00 3.10 3.41 0.00 5.80 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.86 4.67 0.00 1.95 1.71 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 2.11 2.17 0.00 32 P 0.00 4.90 0.00 2.09 2.02 0.00 3.79 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 1.96 2.18 0.00 33 I 8.73 4.45 1.51 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.71 1.04 0.00 0.00 34 D 8.84 4.87 0.00 2.70 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 35 C 9.24 4.51 0.00 3.14 3.08 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 36 G 8.81 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 7.46 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.43 4.53 0.00 1.71 1.81 0.99 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.38 4.52 0.00 1.76 1.83 0.00 2.97 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 40 Y 7.71 3.31 0.00 2.52 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 41 D 7.64 4.36 0.00 2.54 2.33 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 42 A 8.51 3.59 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 43 D 7.84 4.63 0.00 2.65 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 D 7.78 4.67 0.00 2.94 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 45 D 8.34 4.99 0.00 2.54 2.42 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 46 Y 8.56 4.57 0.00 3.33 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 47 P 0.00 4.24 0.00 1.96 2.01 0.00 3.09 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.35 0.00 48 A 7.64 3.83 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 49 F 7.54 4.33 0.00 3.36 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 50 C 8.24 4.31 0.00 3.25 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 I 8.24 3.72 1.89 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 1.46 0.80 0.89 0.00 0.00 52 A 8.11 3.93 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 53 A 8.14 3.97 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 54 A 8.22 3.98 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.21 3.77 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 1.16 0.00 0.00 56 R 7.66 3.69 0.00 1.16 0.82 0.00 3.14 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.65 0.00 57 T 7.57 4.23 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 1.28 0.00 0.00 58 V 7.61 3.59 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 0.85 0.00 0.00 0.96 0.00 0.00 59 A 7.67 4.32 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 60 D 7.62 4.81 0.00 2.86 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 61 P 0.00 4.45 0.00 2.09 1.99 0.00 3.71 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 2.04 2.10 0.00 62 G 9.02 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 0.00 0.00 0.00 63 S 7.96 4.70 0.00 4.22 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 64 L 8.99 5.29 0.00 1.60 1.81 0.36 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 65 G 9.54 4.71 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 0.00 0.00 0.00 66 I 8.96 5.19 1.89 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.06 0.84 0.00 0.00 67 V 8.84 5.07 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 0.90 0.00 0.00 0.98 0.00 0.00 68 L 8.91 5.21 0.00 1.50 1.50 0.95 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 69 G 7.85 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 0.00 0.00 0.00 70 G 9.12 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 0.00 0.00 0.00 71 S 8.19 4.47 0.00 3.92 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 72 G 8.19 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 N 8.20 4.38 0.00 2.70 2.81 0.00 0.00 6.72 7.30 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 74 G 7.79 3.36 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 0.00 0.00 0.00 0.00 75 E 7.64 4.02 0.00 2.15 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 2.41 2.38 0.00 76 Q 8.21 4.11 0.00 2.32 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.62 0.00 77 I 7.65 3.70 2.08 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 0.63 0.96 0.00 0.00 78 A 8.22 4.19 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 0.00 0.00 79 A 8.11 4.01 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.17 4.51 0.00 2.97 2.92 0.00 0.00 7.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 K 7.76 4.24 0.00 1.90 1.88 0.00 1.75 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.72 1.61 7.81 82 V 7.41 3.74 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 0.97 0.00 0.00 0.93 0.00 0.00 83 P 0.00 5.03 0.00 2.06 1.99 0.00 3.79 0.00 0.00 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 84 G 9.42 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 0.00 0.00 0.00 85 A 7.63 4.35 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 R 9.10 4.64 0.00 1.80 1.79 0.00 3.07 0.00 0.00 3.02 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 87 C 9.39 4.95 0.00 2.93 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 88 A 8.67 4.45 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 89 L 8.42 4.80 0.00 1.68 1.69 0.93 1.07 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 90 A 8.73 4.65 1.12 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 91 W 8.16 4.82 0.00 3.60 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 S 6.99 4.40 0.00 3.67 3.30 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 93 V 8.03 3.50 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 0.98 0.00 0.00 0.94 0.00 0.00 94 Q 7.74 3.86 0.00 2.02 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.69 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 95 T 7.56 3.79 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 0.66 0.00 0.00 96 A 7.93 3.97 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 97 A 8.02 4.07 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 98 L 8.06 3.86 0.00 1.70 1.65 0.88 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 99 A 8.09 4.03 1.49 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 0.00 0.00 100 R 7.75 3.90 0.00 2.08 2.10 0.00 3.43 0.00 0.00 2.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.77 0.00 101 E 8.52 4.29 0.00 2.17 1.92 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 2.38 2.24 0.00 102 H 8.37 4.39 0.00 3.29 3.22 0.00 5.72 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 N 8.24 4.57 0.00 2.92 2.85 0.00 0.00 6.99 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 N 8.16 3.86 0.00 1.44 1.95 0.00 0.00 7.00 7.96 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 0.00 105 A 7.97 4.17 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 0.00 106 Q 8.73 4.37 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.76 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 107 L 8.49 6.20 0.00 1.65 1.50 0.96 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 108 I 7.73 4.89 1.53 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.25 0.50 0.00 0.00 109 G 8.83 4.82 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 0.00 110 I 8.12 4.90 1.85 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 1.21 1.19 0.95 0.00 0.00 111 G 8.76 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 0.00 0.00 0.00 112 G 9.01 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 0.00 0.00 0.00 113 R 7.79 4.20 0.00 1.97 1.97 0.00 3.15 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.60 0.00 114 M 7.64 4.32 0.00 1.81 1.91 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.72 0.00 115 H 7.63 5.14 0.00 3.10 3.15 0.00 5.70 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 T 8.42 4.26 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 1.23 0.00 0.00 117 V 8.22 3.55 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 1.09 0.00 0.00 0.93 0.00 0.00 118 A 8.01 3.96 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 0.00 119 E 8.24 3.92 0.00 2.22 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 2.34 2.34 0.00 120 A 8.08 3.94 1.36 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 0.00 0.00 0.00 121 L 8.17 3.89 0.00 1.58 1.42 0.80 0.55 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 0.00 122 A 7.94 4.01 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 0.00 123 I 7.55 3.58 1.97 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.71 0.83 0.00 0.00 124 V 7.83 3.67 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 1.11 0.00 0.00 0.97 0.00 0.00 125 D 8.28 4.39 0.00 2.93 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 0.00 126 A 7.99 4.01 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 0.00 127 F 8.12 4.22 0.00 2.96 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 V 7.86 3.66 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.86 0.00 0.00 129 T 7.36 4.45 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 1.28 0.00 0.00 130 T 7.51 4.22 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 1.26 0.00 0.00 131 P 0.00 4.52 0.00 2.23 2.18 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 2.06 1.94 0.00 132 W 8.95 5.07 0.00 3.28 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 0.00 133 S 8.47 3.92 0.00 3.92 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 0.00 134 K 5.66 2.53 0.00 1.55 1.64 0.00 1.61 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.55 0.97 7.81 135 A 6.89 3.95 1.12 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 0.00 136 Q 8.68 3.90 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.84 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 137 R 7.86 3.91 0.00 2.04 2.12 0.00 2.96 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.54 0.00 138 H 7.98 4.40 0.00 3.63 4.01 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 Q 8.36 4.21 0.00 2.49 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 140 R 8.40 3.92 0.00 2.05 2.11 0.00 3.16 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 141 R 8.13 3.99 0.00 2.12 2.00 0.00 3.36 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.79 0.00 142 I 8.01 3.72 2.05 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.82 0.86 0.00 0.00 143 D 8.45 4.38 0.00 2.89 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 0.00 144 I 7.92 3.73 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 0.74 0.94 0.00 0.00 145 L 8.03 4.03 0.00 1.80 1.82 1.01 1.21 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 0.00 146 A 8.39 3.98 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 0.00 147 E 8.37 3.91 0.00 2.13 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 0.00 2.33 2.38 0.00 148 Y 8.10 4.02 0.00 3.07 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 0.00 149 E 8.51 3.68 0.00 2.19 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 150 R 7.65 3.84 0.00 1.96 2.06 0.00 3.25 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 151 T 7.30 4.38 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 152 H 7.69 2.99 0.00 3.11 3.24 0.00 5.64 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 E 7.82 4.40 0.00 2.02 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 2.31 2.25 0.00 154 A 8.75 4.18 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 0.00 155 P 0.00 4.48 0.00 2.20 2.10 0.00 3.66 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 156 P 0.00 4.38 0.00 2.20 2.11 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 157 V 8.02 3.92 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 0.93 0.00 0.00 158 P 0.00 4.15 0.00 2.04 2.00 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 *159 G 8.55 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.