NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 E 4.3578 8.4444 120.2320 56.0373 31.1146 176.9291 11 Y 4.0268 8.2090 121.6762 55.5997 39.5241 172.7112 *13 S 4.1293 9.0663 113.8007 58.0352 65.3362 173.7575 14 L 4.1071 8.2356 118.8348 57.7868 41.0876 179.3058 15 E 3.8914 8.0466 118.8918 59.3626 29.7824 178.2968 16 D 4.3344 7.8263 118.4604 57.5175 40.8503 178.6733 17 D 4.2589 8.1464 118.9321 57.2104 40.7710 178.5747 18 A 3.9693 8.0710 121.2435 55.4562 18.4547 179.6050 19 E 3.8921 8.3216 117.0278 59.2807 29.2217 179.4742 20 L 3.9534 7.6221 119.6256 58.1908 42.2826 178.7519 21 L 4.1140 7.8406 117.8110 57.5022 41.5853 179.0237 22 K 4.1202 8.0531 119.0165 59.6807 32.1822 179.7029 23 T 4.0917 7.6353 112.6512 63.5744 68.8744 174.6198 *25 A 4.1659 7.9323 121.0121 52.2585 20.0514 177.5943 26 H 4.8498 7.7273 116.9404 54.2820 32.9983 173.4058 27 P 4.2738 0.0000 0.0000 64.1113 31.8699 177.9811 *29 R 4.2120 8.0255 119.5679 56.2933 32.1274 177.9165 30 L 3.9863 8.1026 117.8448 57.4329 41.4978 179.2979 31 K 3.8598 8.0729 119.5600 59.6372 32.1492 178.7401 32 I 3.6501 7.6584 119.3359 64.4466 36.8698 178.3275 33 V 3.6071 7.8877 117.9328 66.1019 31.5089 177.0907 34 N 4.4730 8.5607 117.0977 56.9149 38.7559 176.6796 35 E 4.0986 8.3264 119.9374 59.3419 29.6810 178.9546 36 L 4.2868 8.1725 118.0105 56.7650 41.5093 178.3264 37 Y 4.2537 7.6576 119.0079 59.6931 39.0011 176.6778 38 K 4.0331 8.1244 117.2710 57.4534 32.7069 176.7742 39 H 4.6769 7.6664 112.9848 54.1093 30.5964 174.4529 40 K 4.2795 8.8710 125.4514 57.0099 32.5414 175.8546 41 A 5.5782 7.3311 117.0678 51.5127 22.0878 175.6156 42 L 5.3132 8.7318 121.3508 53.1060 46.8471 175.7915 43 N 4.8398 8.7349 119.2786 51.6974 39.6773 176.3479 44 V 3.5827 8.4822 117.7619 66.6679 31.2800 177.7542 45 T 3.8822 7.9138 114.7493 66.8018 68.2638 176.4387 46 Q 4.0133 8.8932 120.1108 58.9873 28.7446 178.5591 47 I 3.6977 7.7847 121.0323 64.5519 37.2276 178.5051 48 I 3.6631 7.8066 113.6598 63.9253 36.9446 178.1232 49 Q 3.8840 7.4849 120.4925 59.2027 29.0561 177.8569 50 I 3.8511 7.5959 119.4287 64.3530 37.1843 178.0876 51 L 4.1311 7.9978 118.9571 55.3982 41.6476 178.3372 52 K 4.0050 8.3216 115.5602 56.5609 30.1295 175.8370 53 L 4.6338 7.4151 118.4894 52.2046 43.7307 175.0394 54 P 4.3585 0.0000 0.0000 63.0495 33.0166 177.0023 55 Q 3.9714 8.7953 121.0587 59.6333 28.8629 179.2325 56 S 4.1752 7.9782 114.6707 61.7929 63.1197 176.5519 57 T 3.8523 7.7815 118.9284 66.1469 68.2807 176.9010 58 V 3.5996 7.8348 120.3220 66.0461 31.6262 178.0841 59 S 4.0469 8.5373 113.3351 61.3096 61.6220 175.9580 60 Q 3.9279 8.0342 122.4330 59.4186 28.5677 177.8735 61 H 4.2078 7.7493 115.9042 58.7211 28.7736 177.4835 62 L 3.9667 7.7827 120.2896 57.8090 41.4872 179.0614 63 C 4.3893 7.9543 113.3500 60.9582 29.4990 175.6577 64 K 4.1610 7.2951 117.7747 55.7867 32.0742 176.5150 *66 R 4.1405 7.6124 118.6068 57.2933 32.1725 172.2195 67 G 4.1895 9.2384 115.6515 44.9713 0.0000 175.2027 68 K 4.1125 9.3036 120.2078 59.3898 33.6859 179.4560 69 V 3.8069 7.9325 118.2580 65.2478 32.5977 175.8059 70 L 5.4116 8.0759 120.7912 53.4970 46.2103 175.8114 71 K 5.0396 9.1654 123.3191 53.8067 36.6853 176.1230 72 R 5.3129 8.0020 114.7202 54.9280 34.3315 174.6985 *80 Y 4.6201 8.1303 115.6399 58.3706 39.0547 173.9934 81 Y 5.2637 9.2295 123.0353 56.7594 40.6255 174.9819 82 S 5.1052 8.7436 115.6585 56.8218 67.1933 173.2902 83 I 3.7504 8.3723 122.4315 63.1835 37.0126 173.6257 84 N 4.2545 9.1754 127.9561 54.5394 38.3481 175.3259 85 N 4.2121 5.8961 112.7451 53.9436 40.6373 173.6047 86 P 4.4473 0.0000 0.0000 65.4170 31.4445 179.1056 87 K 4.0006 8.0892 117.0616 59.1160 31.8785 179.2444 88 V 3.5627 7.4014 117.3138 66.1930 31.5188 177.9511 89 E 4.0822 8.2546 117.8779 59.2937 29.3719 179.4478 90 G 3.6087 8.1605 105.7767 47.8416 0.0000 175.8699 91 I 3.6939 8.0311 122.7041 64.1408 36.9318 178.4671 92 I 3.6503 7.5793 118.2025 63.7815 38.0077 177.8262 93 K 3.8052 7.9225 119.6484 59.0665 31.7035 179.0449 94 L 4.0271 7.8442 119.2488 57.1540 42.0600 177.9261 95 L 4.4411 7.1960 116.4028 54.2133 42.3831 176.2996 96 N 4.8495 7.3412 115.6879 51.1622 39.1614 172.8639 97 P 4.0532 0.0000 0.0000 64.8438 31.3749 176.4880 98 I 4.2132 8.3943 122.1449 60.8132 37.2427 173.8977 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 10 E 8.44 4.36 0.00 2.00 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 2.24 2.28 0.00 11 Y 8.21 4.03 0.00 2.98 2.96 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 *13 S 9.07 4.13 0.00 4.08 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 14 L 8.24 4.11 0.00 1.71 1.75 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.05 3.89 0.00 2.07 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 0.00 2.37 2.54 0.00 16 D 7.83 4.33 0.00 2.86 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 17 D 8.15 4.26 0.00 2.81 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 18 A 8.07 3.97 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 19 E 8.32 3.89 0.00 2.01 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 2.33 2.58 0.00 20 L 7.62 3.95 0.00 1.78 1.89 0.91 1.03 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 21 L 7.84 4.11 0.00 1.77 1.70 0.90 0.75 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 22 K 8.05 4.12 0.00 1.82 2.01 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.48 7.81 23 T 7.64 4.09 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 1.27 0.00 0.00 *25 A 7.93 4.17 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 26 H 7.73 4.85 0.00 3.13 3.15 0.00 5.65 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.27 0.00 2.17 2.08 0.00 3.66 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 2.12 2.13 0.00 *29 R 8.03 4.21 0.00 2.05 2.00 0.00 3.32 0.00 0.00 3.38 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 30 L 8.10 3.99 0.00 1.84 1.69 0.90 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.07 3.86 0.00 1.95 1.77 0.00 1.53 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.52 7.81 32 I 7.66 3.65 1.98 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.45 0.85 0.00 0.00 33 V 7.89 3.61 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 0.97 0.00 0.00 34 N 8.56 4.47 0.00 2.95 2.99 0.00 0.00 7.27 7.19 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 35 E 8.33 4.10 0.00 2.24 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 2.57 2.50 0.00 36 L 8.17 4.29 0.00 1.93 1.79 1.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 7.66 4.25 0.00 2.93 3.19 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 38 K 8.12 4.03 0.00 1.82 1.74 0.00 1.80 0.00 0.00 1.82 0.00 0.00 3.15 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.97 7.81 39 H 7.67 4.68 0.00 3.08 3.31 0.00 5.96 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.87 4.28 0.00 1.86 1.91 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.30 1.39 7.81 41 A 7.33 5.58 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.73 5.31 0.00 1.65 1.59 0.89 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 43 N 8.73 4.84 0.00 2.31 2.31 0.00 0.00 6.74 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 V 8.48 3.58 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 1.05 0.00 0.00 1.05 0.00 0.00 45 T 7.91 3.88 4.35 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 1.21 0.00 0.00 46 Q 8.89 4.01 0.00 2.33 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 47 I 7.78 3.70 1.97 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 1.58 0.83 0.86 0.00 0.00 48 I 7.81 3.66 1.86 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 1.64 0.73 0.97 0.00 0.00 49 Q 7.48 3.88 0.00 2.17 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.00 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 50 I 7.60 3.85 1.96 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.83 0.96 0.00 0.00 51 L 8.00 4.13 0.00 1.67 1.71 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.32 4.00 0.00 1.87 1.99 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.54 7.81 53 L 7.42 4.63 0.00 1.62 1.59 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.36 0.00 2.25 2.17 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 55 Q 8.80 3.97 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.94 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 56 S 7.98 4.18 0.00 4.07 4.09 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 57 T 7.78 3.85 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 1.22 0.00 0.00 58 V 7.83 3.60 2.18 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 0.93 0.00 0.00 0.99 0.00 0.00 59 S 8.54 4.05 0.00 3.92 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 60 Q 8.03 3.93 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 61 H 7.75 4.21 0.00 3.24 3.27 0.00 5.91 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.78 3.97 0.00 1.62 1.33 0.50 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 63 C 7.95 4.39 0.00 3.15 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 K 7.30 4.16 0.00 1.93 1.86 0.00 1.74 0.00 0.00 1.62 0.00 0.00 3.08 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.61 1.54 7.81 *66 R 7.61 4.14 0.00 2.03 2.09 0.00 3.25 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.74 0.00 67 G 9.24 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 0.00 0.00 0.00 68 K 9.30 4.11 0.00 1.84 1.87 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.43 7.81 69 V 7.93 3.81 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 0.99 0.00 0.00 0.94 0.00 0.00 70 L 8.08 5.41 0.00 1.75 1.71 0.89 0.92 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 71 K 9.17 5.04 0.00 1.37 1.63 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.26 1.26 7.81 72 R 8.00 5.31 0.00 1.55 1.52 0.00 2.65 0.00 0.00 4.01 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.28 0.00 *80 Y 8.13 4.62 0.00 3.03 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 81 Y 9.23 5.26 0.00 2.88 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 82 S 8.74 5.11 0.00 3.98 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 83 I 8.37 3.75 1.94 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.62 0.99 0.00 0.00 84 N 9.18 4.25 0.00 2.79 2.87 0.00 0.00 7.16 7.92 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 85 N 5.90 4.21 0.00 3.10 2.72 0.00 0.00 7.49 7.59 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 86 P 0.00 4.45 0.00 2.21 2.09 0.00 3.66 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 87 K 8.09 4.00 0.00 1.75 1.85 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.42 7.81 88 V 7.40 3.56 2.28 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 1.05 0.00 0.00 0.97 0.00 0.00 89 E 8.25 4.08 0.00 2.27 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 0.00 2.60 2.47 0.00 90 G 8.16 3.61 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 0.00 0.00 0.00 91 I 8.03 3.69 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 1.38 1.47 0.88 0.00 0.00 92 I 7.58 3.65 1.79 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 1.44 0.44 0.69 0.00 0.00 93 K 7.92 3.81 0.00 1.88 1.71 0.00 1.72 0.00 0.00 1.63 0.00 0.00 3.73 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.81 1.24 7.81 94 L 7.84 4.03 0.00 1.68 1.89 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 95 L 7.20 4.44 0.00 1.57 1.65 0.88 1.43 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 96 N 7.34 4.85 0.00 2.80 2.74 0.00 0.00 6.96 8.85 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 97 P 0.00 4.05 0.00 2.17 2.10 0.00 3.85 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 98 I 8.39 4.21 1.88 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 1.30 1.95 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.