NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7539 8.2833 118.1262 52.5878 40.8781 175.7616 3 D 4.2032 8.1049 120.3048 57.0452 40.7267 177.1093 4 K 4.0104 8.7841 119.9314 59.1414 32.5340 179.2311 5 K 3.9570 7.9242 118.3058 59.6743 32.1169 179.2770 6 I 3.7841 8.0425 120.3958 64.4615 37.0206 178.1826 7 E 3.9481 8.4872 120.3443 58.9539 29.3569 178.6472 8 L 4.0593 7.9756 120.5791 58.0378 42.2048 178.8872 9 L 4.0942 8.5884 119.3427 57.9163 41.3912 179.6165 10 T 3.9219 8.2247 115.8951 67.1866 68.2660 176.9604 11 T 3.9666 7.6163 115.6440 66.5110 68.8358 175.9881 12 Y 4.1378 8.4862 121.9539 60.8576 39.0567 178.2918 13 L 4.4344 8.4642 119.6695 57.1899 41.5280 178.9161 14 S 4.5221 7.6694 112.7108 59.9936 63.3628 175.5359 15 L 4.0460 7.8913 122.4866 55.6101 41.4467 175.6049 16 Y 5.3670 7.2171 115.3885 56.2242 40.9117 175.0480 17 I 4.4550 8.4210 120.8223 58.6968 41.7820 174.1289 18 D 4.6914 8.6806 128.1780 55.1014 41.6022 177.0813 19 H 4.2688 8.9580 121.6914 58.7798 28.6035 177.0351 20 H 4.3648 8.7132 121.4246 58.9878 29.7571 177.2529 21 T 3.9094 7.6451 117.8847 66.1415 67.9958 176.9704 22 V 3.4458 7.4594 119.1109 66.0266 31.8418 177.4789 23 L 4.0822 7.3504 116.0944 57.8275 41.5116 179.0129 24 A 4.0221 7.5003 119.3994 55.6578 18.8265 179.1030 25 D 4.6866 8.1527 111.7449 53.4054 42.1802 177.1104 *33 Y 5.3275 7.9461 113.8113 57.8488 38.8544 174.5732 34 V 4.1740 7.9615 122.9340 60.4244 33.4107 174.6997 35 V 3.9560 8.2898 127.3770 63.3423 32.9660 174.9533 36 L 4.8522 8.9558 124.4523 53.1095 44.9623 175.2757 37 D 4.6789 8.7182 124.7026 53.8966 40.1403 175.5885 38 V 4.1039 8.0583 116.7781 61.0390 31.8092 176.2083 39 R 4.1523 7.8355 120.0629 56.2058 30.3046 176.8199 40 N 4.4641 8.7386 119.7283 55.5796 39.0173 176.3374 41 A 3.8916 7.8325 120.4845 54.7703 18.7239 176.9896 *51 K 3.8945 7.6797 114.9953 57.3580 33.6762 175.9703 52 G 4.0576 8.7250 112.9405 47.0094 0.0000 171.0561 53 A 4.8193 7.3790 121.2177 51.0544 23.2845 177.0021 54 I 4.6247 7.8599 111.6361 60.0784 41.2994 175.6181 55 A 4.4968 8.6795 128.7280 51.4404 19.1166 174.7890 *57 P 4.2308 0.0000 0.0000 62.1901 32.8726 178.0380 58 A 3.9861 8.5693 123.2775 55.2831 18.3112 180.3355 59 K 3.8514 7.7011 115.3558 59.3568 32.7084 177.4910 60 D 4.8637 7.5290 117.6746 53.4446 41.8899 177.3053 61 L 3.8451 7.9571 121.7836 58.0156 42.3638 178.2653 62 A 4.1092 7.9071 120.0206 55.7020 18.1877 179.6419 63 T 3.8055 7.8497 112.0174 66.5177 68.7428 175.4549 64 R 4.4316 7.9818 118.6779 55.8667 30.4798 177.8977 65 I 3.5776 7.6895 121.9467 63.9933 38.1720 178.1161 66 G 3.7797 8.3105 108.3170 48.7968 0.0000 174.0942 67 E 4.0098 7.5908 117.9938 58.7552 29.7214 178.6638 68 L 3.8684 7.4832 118.1738 54.9241 42.1117 176.1469 69 D 4.8138 10.0824 124.5764 52.6093 41.0740 175.3824 70 P 4.5390 0.0000 0.0000 63.4043 30.6906 176.8546 71 A 4.6930 8.7669 120.3528 51.4407 20.3850 177.1127 72 K 4.4359 8.0888 114.3914 55.1427 34.2014 175.7560 73 T 4.8803 8.0143 117.0760 62.4524 70.4853 173.5512 74 Y 4.7891 8.6982 124.5291 57.1926 40.0776 174.9996 75 V 5.0065 8.3161 121.2334 60.6095 34.7936 174.5507 76 V 4.8816 9.1247 120.6332 61.0023 31.4917 179.7012 *83 T 4.0942 8.4674 125.4140 62.5958 69.5476 173.6438 84 T 4.2861 8.2491 110.0205 64.6712 68.8711 176.6261 85 L 4.0594 7.7153 121.5649 57.6396 41.7285 179.4659 86 G 3.6355 8.0823 105.1682 47.6932 0.0000 175.6555 87 K 3.8549 7.5027 119.9695 59.4892 32.1483 179.1989 88 T 3.8070 8.1300 116.0446 66.9034 68.3994 176.1544 89 A 3.9462 8.1539 122.4058 55.0781 18.3686 179.3995 90 L 3.7637 7.7342 118.3953 58.1501 42.1818 178.6117 91 L 3.8277 8.1219 120.6963 58.3243 41.9532 178.8260 92 V 3.5323 8.0881 118.1546 66.1711 31.4960 177.6489 93 L 3.9261 8.1176 118.6313 58.1469 41.4330 179.8016 94 L 4.3285 8.2887 120.2053 57.3489 41.2470 179.8943 95 S 4.1140 8.3852 114.7987 61.4768 62.8642 176.2638 96 A 4.1752 7.9673 122.5770 53.8944 18.2121 178.0569 97 G 3.8629 7.5312 102.9041 45.2821 0.0000 174.3042 98 F 4.2806 8.2888 118.9907 57.4565 40.3433 174.4133 99 E 4.4883 9.0550 121.9404 55.1316 30.2370 174.3642 100 A 5.1963 8.1565 127.4448 50.6794 22.7610 173.9026 101 Y 4.6753 8.6987 114.6617 57.1141 43.2556 173.6797 102 E 4.9490 8.9787 123.0249 54.1509 32.0897 174.8214 103 L 4.3289 8.8491 129.2669 55.3818 42.7008 176.6212 104 A 4.2689 8.5001 127.4753 52.2154 18.1071 176.8848 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 2 N 8.28 4.75 0.00 2.77 2.92 0.00 0.00 7.01 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 3 D 8.10 4.20 0.00 2.77 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 4 K 8.78 4.01 0.00 1.80 1.86 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.53 7.81 5 K 7.92 3.96 0.00 1.94 1.85 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.53 7.81 6 I 8.04 3.78 1.95 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 1.42 0.72 0.93 0.00 0.00 7 E 8.49 3.95 0.00 2.26 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 2.32 2.38 0.00 8 L 7.98 4.06 0.00 1.84 1.87 1.00 0.52 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 9 L 8.59 4.09 0.00 1.71 1.75 0.92 0.66 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 10 T 8.22 3.92 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 11 T 7.62 3.97 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 1.23 0.00 0.00 12 Y 8.49 4.14 0.00 3.27 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 13 L 8.46 4.43 0.00 1.93 1.83 1.01 0.70 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 14 S 7.67 4.52 0.00 4.06 4.18 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 15 L 7.89 4.05 0.00 1.08 1.25 0.42 0.37 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 16 Y 7.22 5.37 0.00 2.85 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 17 I 8.42 4.45 1.48 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 1.13 0.86 0.00 0.00 18 D 8.68 4.69 0.00 2.70 2.46 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 19 H 8.96 4.27 0.00 3.45 3.73 0.00 5.70 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 H 8.71 4.36 0.00 3.06 3.46 0.00 5.78 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 7.65 3.91 4.23 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 1.22 0.00 0.00 22 V 7.46 3.45 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 0.83 0.00 0.00 0.76 0.00 0.00 23 L 7.35 4.08 0.00 1.68 1.73 0.99 0.83 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 24 A 7.50 4.02 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 25 D 8.15 4.69 0.00 2.88 2.62 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 *33 Y 7.95 5.33 0.00 2.92 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 34 V 7.96 4.17 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 0.94 0.00 0.00 0.64 0.00 0.00 35 V 8.29 3.96 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 0.93 0.00 0.00 0.94 0.00 0.00 36 L 8.96 4.85 0.00 1.62 1.56 0.87 1.42 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 37 D 8.72 4.68 0.00 2.74 2.62 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 38 V 8.06 4.10 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 0.91 0.00 0.00 0.93 0.00 0.00 39 R 7.84 4.15 0.00 1.92 1.87 0.00 3.12 0.00 0.00 3.49 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 40 N 8.74 4.46 0.00 2.71 2.87 0.00 0.00 7.02 7.35 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 41 A 7.83 3.89 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 *51 K 7.68 3.89 0.00 1.74 1.77 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.51 7.81 52 G 8.72 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.38 4.82 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 54 I 7.86 4.62 1.92 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 1.18 1.26 0.94 0.00 0.00 55 A 8.68 4.50 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 *57 P 0.00 4.23 0.00 2.34 2.14 0.00 3.87 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 58 A 8.57 3.99 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 59 K 7.70 3.85 0.00 1.90 1.97 0.00 1.54 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.62 1.49 7.81 60 D 7.53 4.86 0.00 2.64 2.66 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 61 L 7.96 3.85 0.00 1.72 1.80 0.75 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 62 A 7.91 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 63 T 7.85 3.81 4.34 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 0.00 0.00 0.00 1.20 0.00 0.00 64 R 7.98 4.43 0.00 1.87 2.21 0.00 3.12 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 65 I 7.69 3.58 1.95 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.28 0.99 0.00 0.00 66 G 8.31 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 0.00 0.00 0.00 67 E 7.59 4.01 0.00 1.99 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 0.00 2.36 2.41 0.00 68 L 7.48 3.87 0.00 1.45 0.67 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 69 D 10.08 4.81 0.00 2.75 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 70 P 0.00 4.54 0.00 2.05 1.81 0.00 3.78 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 71 A 8.77 4.69 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 72 K 8.09 4.44 0.00 1.52 1.48 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.33 1.49 7.81 73 T 8.01 4.88 4.39 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 1.80 0.00 0.00 74 Y 8.70 4.79 0.00 2.92 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 75 V 8.32 5.01 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 1.04 0.00 0.00 0.80 0.00 0.00 76 V 9.12 4.88 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 0.69 0.00 0.00 0.97 0.00 0.00 *83 T 8.47 4.09 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 1.24 0.00 0.00 84 T 8.25 4.29 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 85 L 7.72 4.06 0.00 1.74 1.75 0.92 0.77 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 86 G 8.08 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 87 K 7.50 3.85 0.00 2.01 1.83 0.00 1.63 0.00 0.00 1.50 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.61 1.64 7.81 88 T 8.13 3.81 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 1.19 0.00 0.00 89 A 8.15 3.95 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 90 L 7.73 3.76 0.00 1.79 1.74 0.81 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.12 3.83 0.00 1.70 1.84 0.89 0.80 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 92 V 8.09 3.53 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 0.93 0.00 0.00 0.90 0.00 0.00 93 L 8.12 3.93 0.00 1.77 1.65 0.80 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 94 L 8.29 4.33 0.00 1.59 1.67 0.78 0.70 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 95 S 8.39 4.11 0.00 3.94 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 96 A 7.97 4.18 1.64 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 97 G 7.53 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 0.00 0.00 0.00 98 F 8.29 4.28 0.00 3.18 3.05 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 99 E 9.05 4.49 0.00 2.13 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 2.43 2.36 0.00 100 A 8.16 5.20 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 0.00 101 Y 8.70 4.68 0.00 2.87 2.78 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 0.00 102 E 8.98 4.95 0.00 1.78 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 2.33 2.38 0.00 103 L 8.85 4.33 0.00 1.67 1.64 0.93 0.96 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 0.00 104 A 8.50 4.27 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 * Residues marked with a * may have inaccurate shift predictions.