NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3136 0.0000 0.0000 62.5888 32.2161 175.1457 3 R 4.1766 8.5392 124.1765 53.9298 31.1230 174.5190 4 A 4.4026 8.4279 129.6810 49.9466 18.7507 175.6821 5 K 4.1093 8.0814 122.2328 56.6631 33.1002 177.2751 6 T 3.8578 8.4768 118.2200 66.2792 68.8936 176.7915 7 G 3.8374 7.5260 109.5986 46.0196 0.0000 172.8572 8 V 3.4651 8.8358 110.5037 65.7245 31.4314 180.3319 9 V 2.8606 6.3258 114.9334 64.3080 33.3852 177.3258 10 R 3.8890 7.7176 116.9197 59.2429 30.3895 178.6660 11 R 3.8054 7.9759 118.6501 59.7044 29.9702 178.7548 12 R 3.9405 7.7642 117.0767 59.2368 29.9485 179.0379 13 K 4.0619 8.1506 118.2616 59.4930 31.9587 179.2792 14 H 4.0825 8.3502 116.6844 58.7652 28.7039 177.5004 15 K 3.8221 8.1563 120.3221 59.7837 31.4786 178.8963 16 K 3.8962 7.8998 119.5509 59.8363 32.0807 178.4059 17 I 3.7722 7.3155 119.2207 64.2990 36.9782 178.0346 18 L 3.9863 7.6495 118.4813 58.4370 41.7254 179.1951 19 K 3.8337 8.5250 118.1825 59.6550 31.7428 178.7669 20 L 3.9390 7.6079 118.3141 58.0946 41.8042 179.0002 21 A 3.9134 8.2872 118.1558 51.2618 18.4765 177.3127 22 K 3.7395 7.4798 118.9570 58.0773 32.5089 177.9590 23 G 3.9393 8.6924 110.2289 45.7158 0.0000 173.5607 24 Y 4.6865 7.0017 116.8364 57.1691 38.6602 175.5421 25 W 4.1968 9.0329 132.5635 58.7067 33.2494 176.9586 26 G 3.5589 8.2524 113.1493 46.7589 0.0000 174.7117 27 L 4.3082 9.0807 129.2773 56.5060 43.3922 177.0236 28 R 4.1986 8.5413 117.4478 57.9281 30.0850 177.5873 29 S 4.7900 7.6186 110.9002 57.7280 63.4847 175.6785 30 K 4.7336 8.0506 119.5519 53.3163 34.9188 176.0943 31 S 5.2749 8.4050 122.0571 58.8597 60.1446 178.9398 *33 R 4.4730 8.2878 121.2962 55.3648 32.3217 178.6171 34 K 3.8915 8.2084 118.1952 59.4476 31.8546 178.1884 35 A 4.6733 7.7397 122.1218 55.2043 18.2019 179.5492 36 R 3.4945 7.7094 115.3667 59.5721 30.4859 178.2776 37 E 4.0860 7.7015 118.2460 60.1047 29.4534 180.0168 38 T 3.8015 7.8561 115.2147 66.6715 68.5259 176.8273 39 L 4.0332 8.0423 121.1812 57.7742 41.4569 179.3347 40 F 4.5556 8.5735 117.8316 61.0377 38.8653 177.7687 41 A 3.7968 7.6992 118.5797 54.8261 18.1189 179.0789 42 A 4.0194 7.8699 119.6305 55.9096 18.3794 179.4642 43 G 3.8298 8.3778 103.4705 48.6354 0.0000 175.0253 44 N 4.3115 8.1695 118.5756 56.0017 38.8211 176.9137 45 Y 4.2129 8.8640 118.3199 61.5027 38.0046 178.7208 46 A 4.0396 8.4689 121.4568 55.0325 18.7479 178.7539 47 Y 4.0436 8.2601 117.0511 61.0424 38.5563 178.9079 48 A 4.2986 8.6524 121.6402 55.6138 18.5366 179.2391 49 H 4.3767 8.6520 114.4226 58.3367 28.5613 178.0247 50 R 4.0030 8.3243 119.8873 58.6019 29.9986 178.4320 51 K 4.1041 7.3871 116.2642 58.6052 32.3346 179.2212 52 R 4.0402 7.5428 118.4717 59.0128 29.9104 178.4481 53 R 4.1258 7.7715 118.8245 59.0101 30.1068 177.6290 54 K 3.7572 8.5162 116.2410 58.5836 31.7510 178.4742 55 R 3.7639 8.3378 121.1619 59.9790 30.6697 177.7472 56 D 4.1324 8.5613 118.9495 57.6090 40.8210 179.2798 57 F 3.4322 8.3224 117.6272 61.3223 38.8564 179.0737 58 R 3.6848 6.6261 116.4688 58.8146 30.1989 178.0328 59 R 3.7215 7.9809 118.5960 59.3077 29.8457 177.9388 60 L 3.8354 7.2807 119.4682 58.5301 42.3883 178.6936 61 W 4.6964 8.3460 118.4192 60.2959 29.0578 178.0711 62 I 3.6160 8.3094 119.1718 64.8204 36.7220 178.1920 63 V 3.4969 7.7596 118.4543 66.4432 31.0204 177.9890 64 R 3.8921 7.7716 115.8132 60.2555 29.8301 178.3721 65 I 3.4148 8.0324 118.0227 64.4417 36.9363 177.3000 66 N 4.4467 9.2285 117.4197 57.4251 38.8526 177.2194 67 A 4.0174 8.5245 120.8590 55.3976 18.5854 178.5224 68 A 4.2266 9.3793 121.2252 54.5818 18.5281 178.6125 69 C 4.6846 8.0959 107.0840 59.4778 29.8947 175.1860 70 R 4.4744 7.7894 121.9899 58.5722 29.6132 178.2653 71 Q 4.0675 8.8312 118.5248 59.3035 28.8190 176.7691 72 H 4.6115 8.5467 112.2617 55.2563 29.0544 175.0533 73 G 3.8333 7.8495 109.5439 44.2000 0.0000 172.6322 74 L 4.4109 7.8453 119.8242 54.2379 44.0055 175.5004 75 N 4.6558 7.8090 116.3553 53.2134 40.3890 176.0354 76 Y 4.0684 9.9755 125.6701 60.8501 38.6482 178.9560 77 S 4.5781 8.4123 114.2357 60.6067 63.3031 175.3109 78 T 4.4210 7.6600 112.1902 63.0814 70.0993 175.7904 79 F 3.9623 8.3851 123.9842 61.5115 39.2179 177.4927 80 I 3.8228 8.2620 119.2422 64.2941 36.6825 178.0697 81 H 4.2875 8.0807 118.9650 59.2831 29.6520 176.8709 82 G 3.6555 8.7130 108.0787 48.2671 0.0000 175.1045 83 L 3.9351 7.7525 121.3961 57.2657 41.6666 180.0115 84 K 3.9583 7.8159 118.9866 59.3742 32.0179 178.8586 85 K 3.8347 7.7273 117.0654 59.6477 32.1902 178.9308 86 A 4.0022 9.4889 118.8610 53.2430 18.3375 178.6897 87 G 3.7477 7.8350 104.2459 45.4536 0.0000 173.9262 88 I 4.0779 7.2470 114.8849 59.3567 37.1266 176.3370 89 E 3.9923 8.7061 127.2467 57.6282 29.4575 177.7692 90 V 3.5369 6.8163 116.9393 66.0344 31.3249 177.4580 91 D 4.5466 7.7244 126.7262 52.9941 39.0830 174.1637 92 R 4.0850 8.1181 120.1974 55.2263 30.0506 178.4765 93 K 3.6477 8.8841 123.4627 59.4649 32.3601 177.4912 94 N 2.0000 7.7705 116.8507 55.4555 38.8939 176.1299 95 L 4.2570 8.0840 116.4636 55.3948 42.1889 178.4899 96 A 4.1779 7.6218 118.8828 53.0245 17.3916 177.4541 97 D 4.5476 7.5444 115.3676 54.4836 38.9842 178.0971 98 L 3.6935 7.7719 119.9101 55.8345 42.0359 181.6861 99 A 2.8998 7.2876 122.9654 55.0572 20.5905 178.8380 100 V 3.6181 7.0699 114.1034 65.5928 31.7311 176.3801 101 R 4.5679 7.8376 116.7515 54.6403 32.6121 175.3400 102 E 3.9435 8.7004 116.5238 56.4149 27.2166 175.1131 103 P 4.4329 0.0000 0.0000 65.9781 31.3912 177.5882 104 Q 4.0303 8.2329 117.6264 59.2890 28.6089 179.1272 105 V 3.5698 7.5288 117.6308 66.0095 31.4478 177.6240 106 F 4.2288 8.2449 119.8968 61.0256 39.3048 176.4210 107 A 4.0487 9.0084 120.6514 55.4338 18.1963 179.1350 108 E 3.8262 8.8770 117.7059 59.6016 29.3173 179.0896 109 L 3.9242 7.9578 118.9087 57.3448 41.5299 179.5818 110 V 2.9381 7.3457 118.7701 65.5907 30.8049 177.6773 111 E 3.9504 7.8482 118.2908 59.3992 29.2881 179.5784 112 R 4.0833 7.8245 117.8509 59.3177 30.1036 178.7046 113 A 3.9452 7.3455 119.1081 54.4268 18.9735 179.1962 114 K 3.6876 8.2483 116.9613 59.9229 31.9315 178.6817 115 A 3.9827 9.0998 119.6410 55.5201 18.4629 178.9108 116 A 4.0060 7.5805 117.5019 56.0339 18.3957 178.3996 117 Q 3.6849 8.7088 114.8256 56.5831 29.2002 177.1923 118 G 3.7364 7.0435 113.4157 46.8838 0.0000 172.3033 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 P 0.00 4.31 0.00 2.19 2.15 0.00 3.71 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 1.88 1.96 0.00 3 R 8.54 4.18 0.00 1.85 1.86 0.00 3.22 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 4 A 8.43 4.40 1.25 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 0.00 0.00 5 K 8.08 4.11 0.00 1.72 1.74 0.00 1.84 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.47 7.81 6 T 8.48 3.86 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 1.20 0.00 0.00 7 G 7.53 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.84 3.47 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 0.76 0.00 0.00 0.92 0.00 0.00 9 V 6.33 2.86 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 0.95 0.00 0.00 10 R 7.72 3.89 0.00 1.89 1.85 0.00 3.14 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.68 0.00 11 R 7.98 3.81 0.00 1.89 2.02 0.00 3.13 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 12 R 7.76 3.94 0.00 2.08 1.96 0.00 3.18 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 13 K 8.15 4.06 0.00 2.01 1.90 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.49 7.81 14 H 8.35 4.08 0.00 3.43 3.34 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 15 K 8.16 3.82 0.00 1.93 1.88 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.62 7.81 16 K 7.90 3.90 0.00 1.98 2.03 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.53 7.81 17 I 7.32 3.77 1.94 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.40 0.83 0.00 0.00 18 L 7.65 3.99 0.00 1.76 1.74 0.92 0.75 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 19 K 8.53 3.83 0.00 1.92 1.78 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.72 7.81 20 L 7.61 3.94 0.00 1.77 1.74 0.90 0.88 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 21 A 8.29 3.91 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 22 K 7.48 3.74 0.00 1.68 1.65 0.00 1.70 0.00 0.00 1.62 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.64 1.47 7.81 23 G 8.69 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 24 Y 7.00 4.69 0.00 3.08 2.85 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 0.00 0.00 0.00 0.00 25 W 9.03 4.20 0.00 3.57 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 26 G 8.25 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 9.08 4.31 0.00 1.77 1.72 0.95 0.97 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 28 R 8.54 4.20 0.00 2.05 1.99 0.00 3.15 0.00 0.00 3.12 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.83 0.00 29 S 7.62 4.79 0.00 3.98 4.21 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 30 K 8.05 4.73 0.00 1.70 1.73 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.52 7.81 31 S 8.41 5.27 0.00 4.15 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 *33 R 8.29 4.47 0.00 1.98 2.31 0.00 3.13 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 34 K 8.21 3.89 0.00 1.80 1.92 0.00 1.74 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.54 1.48 7.81 35 A 7.74 4.67 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 36 R 7.71 3.49 0.00 1.64 1.69 0.00 3.01 0.00 0.00 2.75 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.01 0.00 37 E 7.70 4.09 0.00 2.20 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 0.00 2.42 2.59 0.00 38 T 7.86 3.80 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 0.49 0.00 0.00 39 L 8.04 4.03 0.00 1.67 1.70 0.94 1.32 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 40 F 8.57 4.56 0.00 3.10 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 41 A 7.70 3.80 1.02 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 0.00 0.00 0.00 42 A 7.87 4.02 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 43 G 8.38 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 0.00 0.00 0.00 44 N 8.17 4.31 0.00 2.93 2.95 0.00 0.00 7.15 7.33 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 45 Y 8.86 4.21 0.00 3.10 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 46 A 8.47 4.04 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 47 Y 8.26 4.04 0.00 3.19 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 48 A 8.65 4.30 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 49 H 8.65 4.38 0.00 3.30 3.33 0.00 5.62 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 50 R 8.32 4.00 0.00 1.75 1.93 0.00 3.15 0.00 0.00 3.25 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 51 K 7.39 4.10 0.00 1.93 1.81 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.18 1.22 7.81 52 R 7.54 4.04 0.00 1.94 1.87 0.00 3.03 0.00 0.00 2.99 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 53 R 7.77 4.13 0.00 1.97 2.02 0.00 3.28 0.00 0.00 3.14 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.59 0.00 54 K 8.52 3.76 0.00 2.03 1.64 0.00 1.66 0.00 0.00 1.88 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.54 1.63 7.81 55 R 8.34 3.76 0.00 1.75 1.96 0.00 3.11 0.00 0.00 3.30 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 56 D 8.56 4.13 0.00 2.53 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 0.00 0.00 0.00 57 F 8.32 3.43 0.00 2.26 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 58 R 6.63 3.68 0.00 1.94 1.91 0.00 3.16 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.80 0.00 59 R 7.98 3.72 0.00 1.83 1.98 0.00 3.00 0.00 0.00 3.00 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 60 L 7.28 3.84 0.00 1.48 1.60 1.14 1.07 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 61 W 8.35 4.70 0.00 3.68 3.28 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 62 I 8.31 3.62 1.85 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 1.42 0.27 0.26 0.00 0.00 63 V 7.76 3.50 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 1.01 0.00 0.00 0.88 0.00 0.00 64 R 7.77 3.89 0.00 2.08 1.99 0.00 3.43 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.03 0.00 65 I 8.03 3.41 2.11 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.80 0.73 0.00 0.00 66 N 9.23 4.45 0.00 2.78 2.87 0.00 0.00 7.28 8.18 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 67 A 8.52 4.02 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 68 A 9.38 4.23 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 69 C 8.10 4.68 0.00 3.54 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 70 R 7.79 4.47 0.00 2.40 2.02 0.00 3.14 0.00 0.00 3.21 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 71 Q 8.83 4.07 0.00 2.34 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.04 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 72 H 8.55 4.61 0.00 3.16 3.32 0.00 5.85 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 7.85 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 0.00 0.00 0.00 74 L 7.85 4.41 0.00 1.79 1.66 0.96 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 75 N 7.81 4.66 0.00 3.14 2.89 0.00 0.00 7.05 7.36 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 76 Y 9.98 4.07 0.00 3.05 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 77 S 8.41 4.58 0.00 4.16 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 78 T 7.66 4.42 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 1.26 0.00 0.00 79 F 8.39 3.96 0.00 3.12 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 80 I 8.26 3.82 1.43 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.82 0.79 0.00 0.00 81 H 8.08 4.29 0.00 3.40 3.43 0.00 5.89 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 82 G 8.71 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 83 L 7.75 3.94 0.00 2.00 1.82 0.72 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 84 K 7.82 3.96 0.00 1.91 1.88 0.00 1.56 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.54 7.81 85 K 7.73 3.83 0.00 1.91 1.80 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.47 7.81 86 A 9.49 4.00 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 87 G 7.83 3.75 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 0.00 0.00 0.00 88 I 7.25 4.08 1.87 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 1.21 0.90 0.96 0.00 0.00 89 E 8.71 3.99 0.00 1.96 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 2.30 2.31 0.00 90 V 6.82 3.54 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 0.72 0.00 0.00 0.94 0.00 0.00 91 D 7.72 4.55 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 92 R 8.12 4.09 0.00 2.03 2.05 0.00 2.99 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 93 K 8.88 3.65 0.00 2.03 2.26 0.00 1.78 0.00 0.00 1.83 0.00 0.00 3.30 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.74 1.73 7.81 94 N 7.77 2.00 0.00 1.87 2.27 0.00 0.00 7.21 6.66 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 95 L 8.08 4.26 0.00 1.58 1.57 0.84 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.62 4.18 1.53 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 0.00 0.00 97 D 7.54 4.55 0.00 2.80 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 98 L 7.77 3.69 0.00 1.79 1.65 1.02 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.29 2.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 V 7.07 3.62 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 0.77 0.00 0.00 0.90 0.00 0.00 101 R 7.84 4.57 0.00 1.78 1.80 0.00 3.33 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 102 E 8.70 3.94 0.00 2.10 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 2.32 2.22 0.00 103 P 0.00 4.43 0.00 2.35 2.37 0.00 3.74 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 2.11 2.09 0.00 104 Q 8.23 4.03 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.92 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 105 V 7.53 3.57 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 1.11 0.00 0.00 0.96 0.00 0.00 106 F 8.24 4.23 0.00 3.15 3.29 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 0.00 107 A 9.01 4.05 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 0.00 108 E 8.88 3.83 0.00 2.25 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 2.29 2.50 0.00 109 L 7.96 3.92 0.00 1.74 1.54 1.05 0.71 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 0.00 110 V 7.35 2.94 2.13 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 0.85 0.00 0.00 0.36 0.00 0.00 111 E 7.85 3.95 0.00 1.88 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 2.45 2.46 0.00 112 R 7.82 4.08 0.00 1.83 1.86 0.00 3.20 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.74 0.00 113 A 7.35 3.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.25 3.69 0.00 1.73 1.82 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.32 1.49 7.81 115 A 9.10 3.98 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 0.00 116 A 7.58 4.01 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 0.00 117 Q 8.71 3.68 0.00 2.21 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.99 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 118 G 7.04 3.74 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.