NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2992 8.1233 123.5861 51.8070 20.2284 176.3515 3 R 4.2960 8.2029 120.1375 57.1089 31.4652 174.8152 4 I 4.3345 8.2517 128.6186 60.4981 37.9050 176.2852 5 A 4.3878 8.0301 132.0017 55.0485 17.9139 177.3506 6 G 3.6890 8.5607 113.0278 49.1141 0.0000 172.8146 7 V 3.2735 7.6146 107.5361 61.5465 30.4538 173.8495 8 E 3.9457 8.1780 120.5154 56.7502 29.0572 176.2011 9 I 5.1036 8.5515 125.5504 58.4957 38.0054 173.6585 10 P 4.8735 0.0000 0.0000 62.2614 33.8249 173.8026 11 R 4.2049 8.8109 117.7110 56.9835 32.0492 173.1748 12 N 4.2300 8.8486 112.9403 53.5596 36.9208 173.3711 13 K 4.7310 7.9981 117.2201 53.9453 36.3957 175.5863 14 R 4.9877 8.1799 115.5084 55.9215 29.9775 178.0181 15 V 3.5629 8.8165 114.3791 65.1327 31.5780 178.1656 16 D 4.3460 7.1561 117.3503 56.7099 39.7772 179.0952 17 V 4.1001 7.9089 120.8359 63.9872 31.5435 177.7546 18 A 3.7901 7.7623 120.7205 55.1056 17.8720 179.6456 19 L 3.9636 8.4034 117.1043 58.2758 42.0015 179.1196 20 T 4.7913 7.4661 116.5706 65.8667 69.3702 174.6972 21 Y 4.9754 7.1440 118.1937 57.1115 35.9233 175.7555 22 I 4.4887 7.0927 119.8269 60.6215 41.9076 174.4019 23 Y 4.6185 9.1224 125.8766 56.7324 37.1405 174.2859 24 G 3.1670 7.2951 117.8811 44.4934 0.0000 170.9525 25 I 4.0818 7.4364 122.9969 59.3864 38.2702 175.3921 26 G 4.1081 7.9117 114.6328 43.3092 0.0000 172.8664 27 K 3.7196 8.6272 119.3702 60.1816 31.9759 177.4784 28 A 4.0846 7.9376 121.0456 54.2718 18.2230 178.9732 29 R 3.9017 7.6676 117.1045 58.0622 30.8663 178.0202 30 A 4.4393 7.6333 120.2124 53.7646 19.3542 179.0604 31 K 4.2138 8.3716 115.9766 58.0838 32.4650 177.9835 32 E 4.4130 8.1678 116.9878 56.7021 30.0676 176.4103 33 A 4.7729 7.4876 117.9195 54.5043 19.9197 178.8044 34 L 4.2053 7.8582 117.5111 57.3478 42.1589 178.9827 35 E 4.0119 8.1038 116.5184 59.0792 29.8961 178.3499 36 K 4.1912 7.9639 115.9388 57.0931 31.7271 177.7457 37 T 4.2749 7.9376 105.4071 61.3997 70.9811 174.6056 38 G 3.8964 7.3756 108.1732 47.1622 0.0000 172.3536 39 I 4.4276 7.1097 119.7866 59.3839 41.3221 175.4548 40 N 4.6198 8.3685 120.2075 51.9494 38.4984 173.4544 41 P 4.1934 0.0000 0.0000 65.7731 31.4981 178.8941 42 A 4.0295 7.9679 118.6212 54.6014 18.8000 177.9907 43 T 3.9693 7.7455 106.8124 61.9084 69.0257 173.7586 44 R 4.6099 8.3641 122.9264 55.6011 31.1109 177.8394 45 V 3.7150 8.2288 122.3275 65.7889 31.5765 177.6712 46 K 4.4803 7.6149 116.7545 56.3589 31.9445 176.4450 47 D 4.3150 7.4783 115.0446 54.0401 41.8856 175.5776 48 L 4.9229 8.8137 124.9491 55.8892 42.3325 173.3438 49 T 3.7537 7.7703 119.6435 61.9072 69.5186 174.2884 50 E 3.9715 9.1721 124.9250 59.6742 29.3435 179.9086 51 A 3.9325 7.8985 120.1250 55.1439 18.4868 179.0367 52 E 3.8604 8.0123 117.1858 59.7004 29.5886 179.9939 53 V 3.6500 7.6748 117.2945 65.9759 31.7670 177.8622 54 V 3.5774 8.2739 118.4612 66.1107 31.5868 178.1320 55 R 4.0830 8.5998 115.3806 58.2504 29.2296 178.4153 56 L 3.9970 7.4734 121.4330 58.1250 41.9222 178.2352 57 R 4.2607 8.5387 117.5494 58.6807 29.9853 177.3794 58 E 4.1124 8.3993 119.3215 59.3904 29.2807 177.9772 59 Y 4.0659 9.1401 116.0802 61.8167 38.7327 180.6801 60 V 3.2150 7.6829 112.7354 63.8843 33.3571 177.2096 61 E 4.0115 8.1730 117.2206 59.7259 29.6842 179.0631 62 N 4.5690 7.6891 112.8208 54.6013 39.2313 177.3697 63 T 3.3369 8.3125 118.4598 64.7162 68.7208 174.4889 64 W 5.1221 6.8856 114.9565 54.6078 31.2270 173.9873 65 K 4.2436 8.6904 122.5503 56.0119 32.6226 175.9180 66 L 4.5696 8.2237 125.0505 55.4514 43.5012 174.5375 67 E 3.9554 9.3590 117.8071 55.5195 29.9960 175.6467 68 G 3.9895 8.5585 119.2479 44.3333 0.0000 172.4227 69 E 4.3360 9.4759 130.3693 54.5155 29.3970 175.1566 70 L 5.2993 8.5096 133.4653 55.8896 39.1784 174.8319 71 R 4.2355 7.4611 117.0417 59.0741 30.7072 177.5098 72 A 4.1149 8.1114 118.2413 55.5447 18.6236 179.0860 73 E 3.8426 8.3046 116.8245 59.7292 29.6186 179.1567 74 V 3.6512 8.7317 118.7472 66.0965 31.4568 177.4693 75 A 3.9831 7.9160 119.6710 55.5106 18.1531 179.5481 76 A 3.9115 7.8641 118.4592 54.9718 18.2677 178.9261 77 N 4.1975 7.9019 114.9114 57.3246 38.8807 176.9683 78 I 3.8532 8.2893 121.1029 64.4455 37.0679 177.9464 79 K 3.9710 8.5812 120.0803 59.3256 31.6104 179.7865 80 R 3.8936 8.1444 119.9054 59.3711 30.3709 177.3897 81 L 4.4035 7.6836 115.7687 55.3647 41.1101 177.3157 82 M 4.5644 8.0654 116.4973 54.6801 33.2728 177.7315 83 D 4.6101 8.6778 122.0101 55.3735 38.3029 177.0611 84 I 4.5314 10.0565 119.4019 59.2274 40.1438 175.7833 85 G 5.0967 8.2646 125.5411 46.1152 0.0000 172.7159 86 C 4.2210 7.9432 116.1272 57.8528 29.8163 173.8512 87 Y 4.9284 8.8764 126.8286 60.0996 38.3603 176.9866 88 R 3.8662 7.9510 117.5336 57.4404 30.8963 176.7592 89 G 3.9339 9.3199 105.9557 46.8953 0.0000 174.9032 90 L 4.5528 7.6120 119.6485 52.8336 40.0252 175.8649 91 R 4.4141 7.1055 120.1585 57.0567 36.1784 177.1063 92 H 4.5772 8.9426 115.3663 57.5449 29.2442 176.8583 93 R 4.1636 8.0694 117.5876 57.9642 30.3362 176.8135 94 R 4.4838 7.1878 116.9713 54.5051 29.7192 176.0399 95 G 3.9676 7.0067 111.1113 45.6700 0.0000 170.8687 96 L 4.7744 8.4748 122.4109 52.2126 46.3354 174.8605 97 P 4.3889 0.0000 0.0000 63.5122 31.4764 176.1795 98 V 4.2202 8.0941 116.0488 62.5305 32.5483 175.7171 99 R 4.5080 8.0437 116.1145 56.0369 30.7175 175.9821 100 G 3.9616 8.0884 106.4035 46.1465 0.0000 173.2733 101 Q 4.7069 7.6157 120.0737 53.6230 32.3503 175.7839 102 R 4.0181 8.4926 120.3820 56.9991 30.5584 176.2929 103 T 4.3907 8.3450 113.9855 62.5528 70.5830 175.2832 104 R 3.9064 8.0585 121.5564 59.0822 30.2092 176.5265 105 T 4.6135 7.2762 107.3208 61.8750 72.2066 175.9265 106 N 3.7682 8.6248 117.6033 52.3459 39.2148 175.1007 107 A 3.8306 8.7387 129.0240 54.0347 16.6124 179.1409 108 R 3.9251 7.7232 119.2713 61.1270 30.1819 178.7974 109 T 3.7947 7.9478 110.5325 64.6655 67.1366 174.0570 110 R 4.5299 7.4947 116.1348 55.5625 30.5675 175.8654 111 K 4.4357 8.6063 118.4213 54.2080 35.1601 176.5456 112 G 4.0843 9.0052 112.8197 44.8334 0.0000 171.3980 113 P 3.6676 0.0000 0.0000 64.5880 30.7693 178.3182 114 R 4.8016 8.8436 120.6900 55.5984 34.8722 174.6405 115 K 4.4437 8.1863 114.7458 55.1045 33.9089 179.0487 116 T 3.0518 8.4694 111.9581 60.6629 68.9434 173.2970 117 V 3.2966 7.5310 124.1533 61.8079 32.5484 172.8244 118 A 4.4027 8.1986 124.0952 51.5255 20.1484 175.4342 119 G 4.2516 8.2283 105.0109 44.6820 0.0000 171.5187 120 K 4.1345 8.6780 125.3063 55.5250 32.9801 178.3127 *121 K 4.1330 8.5669 126.8193 54.8759 32.3269 171.8815 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 A 8.12 4.30 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 3 R 8.20 4.30 0.00 1.92 1.92 0.00 3.20 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 4 I 8.25 4.33 1.93 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.63 0.97 0.00 0.00 5 A 8.03 4.39 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 6 G 8.56 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 7.61 3.27 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 0.68 0.00 0.00 0.95 0.00 0.00 8 E 8.18 3.95 0.00 2.10 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 0.00 2.38 2.47 0.00 9 I 8.55 5.10 1.89 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 1.24 1.50 0.97 0.00 0.00 10 P 0.00 4.87 0.00 2.30 2.37 0.00 4.25 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.00 0.00 11 R 8.81 4.20 0.00 1.93 1.89 0.00 3.34 0.00 0.00 3.41 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.40 0.00 12 N 8.85 4.23 0.00 2.99 2.95 0.00 0.00 5.75 7.13 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 13 K 8.00 4.73 0.00 1.78 1.69 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.21 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.37 7.81 14 R 8.18 4.99 0.00 2.38 2.17 0.00 3.13 0.00 0.00 3.28 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 15 V 8.82 3.56 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 0.84 0.00 0.00 0.97 0.00 0.00 16 D 7.16 4.35 0.00 2.74 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 17 V 7.91 4.10 1.87 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 0.63 0.00 0.00 0.84 0.00 0.00 18 A 7.76 3.79 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 19 L 8.40 3.96 0.00 1.74 1.76 0.97 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.47 4.79 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 1.21 0.00 0.00 21 Y 7.14 4.98 0.00 3.14 2.89 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 22 I 7.09 4.49 2.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.61 1.02 0.00 0.00 23 Y 9.12 4.62 0.00 2.94 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 24 G 7.30 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 0.00 0.00 0.00 25 I 7.44 4.08 1.94 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 1.25 0.84 0.90 0.00 0.00 26 G 7.91 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 27 K 8.63 3.72 0.00 1.70 1.85 0.00 1.62 0.00 0.00 1.66 0.00 0.00 3.14 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.57 7.81 28 A 7.94 4.08 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 29 R 7.67 3.90 0.00 1.43 1.58 0.00 2.39 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.09 0.00 30 A 7.63 4.44 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 31 K 8.37 4.21 0.00 1.80 1.89 0.00 1.69 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.65 7.81 32 E 8.17 4.41 0.00 2.05 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 0.00 2.42 2.50 0.00 33 A 7.49 4.77 1.67 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 34 L 7.86 4.21 0.00 1.72 1.72 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.10 4.01 0.00 2.15 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 0.00 2.40 2.34 0.00 36 K 7.96 4.19 0.00 1.51 1.43 0.00 1.76 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.69 1.62 7.81 37 T 7.94 4.27 4.12 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 0.91 0.00 0.00 38 G 7.38 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 39 I 7.11 4.43 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 1.27 0.73 0.90 0.00 0.00 40 N 8.37 4.62 0.00 2.79 2.71 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 41 P 0.00 4.19 0.00 2.20 2.11 0.00 3.65 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 42 A 7.97 4.03 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 43 T 7.75 3.97 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 1.21 0.00 0.00 44 R 8.36 4.61 0.00 1.87 1.89 0.00 3.36 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.56 0.00 45 V 8.23 3.71 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 1.00 0.00 0.00 1.01 0.00 0.00 46 K 7.61 4.48 0.00 1.96 1.90 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.38 7.81 47 D 7.48 4.31 0.00 2.73 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 48 L 8.81 4.92 0.00 1.93 1.80 1.00 0.83 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 49 T 7.77 3.75 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 50 E 9.17 3.97 0.00 2.00 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 2.41 2.41 0.00 51 A 7.90 3.93 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 52 E 8.01 3.86 0.00 2.10 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 2.33 2.49 0.00 53 V 7.67 3.65 2.23 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 1.05 0.00 0.00 0.98 0.00 0.00 54 V 8.27 3.58 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 1.00 0.00 0.00 0.99 0.00 0.00 55 R 8.60 4.08 0.00 1.99 2.16 0.00 2.78 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.58 0.00 56 L 7.47 4.00 0.00 2.04 1.93 1.00 0.79 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 57 R 8.54 4.26 0.00 2.02 2.04 0.00 3.17 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 58 E 8.40 4.11 0.00 2.33 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 2.57 2.47 0.00 59 Y 9.14 4.07 0.00 2.93 2.84 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 60 V 7.68 3.22 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 1.08 0.00 0.00 1.12 0.00 0.00 61 E 8.17 4.01 0.00 2.04 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 2.38 2.43 0.00 62 N 7.69 4.57 0.00 2.59 2.80 0.00 0.00 7.13 8.44 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 63 T 8.31 3.34 3.02 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 -1.10 0.00 0.00 64 W 6.89 5.12 0.00 3.17 3.13 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 65 K 8.69 4.24 0.00 1.78 1.80 0.00 1.99 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.59 1.45 7.81 66 L 8.22 4.57 0.00 2.00 1.66 1.05 0.63 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 67 E 9.36 3.96 0.00 2.42 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 2.67 2.38 0.00 68 G 8.56 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 69 E 9.48 4.34 0.00 1.97 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 2.25 2.28 0.00 70 L 8.51 5.30 0.00 2.04 1.85 0.64 0.98 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 71 R 7.46 4.24 0.00 1.97 2.07 0.00 3.05 0.00 0.00 2.29 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 72 A 8.11 4.11 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 73 E 8.30 3.84 0.00 2.31 2.16 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 2.41 2.43 0.00 74 V 8.73 3.65 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 0.90 0.00 0.00 1.04 0.00 0.00 75 A 7.92 3.98 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 76 A 7.86 3.91 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 77 N 7.90 4.20 0.00 2.82 2.85 0.00 0.00 7.27 7.43 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 78 I 8.29 3.85 1.96 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 1.49 1.23 0.71 0.00 0.00 79 K 8.58 3.97 0.00 1.96 1.79 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.64 7.81 80 R 8.14 3.89 0.00 1.84 2.04 0.00 3.26 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 81 L 7.68 4.40 0.00 1.98 1.67 0.97 0.75 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 82 M 8.07 4.56 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 83 D 8.68 4.61 0.00 2.82 2.39 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 84 I 10.06 4.53 1.88 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 1.36 0.96 0.92 0.00 0.00 85 G 8.26 5.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 C 7.94 4.22 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 87 Y 8.88 4.93 0.00 2.87 3.10 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 0.00 0.00 0.00 0.00 88 R 7.95 3.87 0.00 1.76 1.87 0.00 3.24 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 89 G 9.32 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 0.00 0.00 0.00 90 L 7.61 4.55 0.00 1.72 1.73 1.04 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 91 R 7.11 4.41 0.00 1.48 1.84 0.00 3.21 0.00 0.00 3.34 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.87 0.00 92 H 8.94 4.58 0.00 3.17 3.29 0.00 5.67 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 93 R 8.07 4.16 0.00 1.81 1.99 0.00 3.46 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.60 0.00 94 R 7.19 4.48 0.00 1.76 1.85 0.00 3.40 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 95 G 7.01 3.97 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 0.00 0.00 0.00 96 L 8.47 4.77 0.00 1.55 1.50 0.93 0.85 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 97 P 0.00 4.39 0.00 2.24 2.06 0.00 3.70 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 98 V 8.09 4.22 1.88 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 0.57 0.00 0.00 0.73 0.00 0.00 99 R 8.04 4.51 0.00 2.05 1.88 0.00 3.41 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 100 G 8.09 3.96 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 0.00 0.00 0.00 101 Q 7.62 4.71 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.85 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 102 R 8.49 4.02 0.00 1.77 1.84 0.00 3.37 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 103 T 8.35 4.39 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 0.00 104 R 8.06 3.91 0.00 1.79 2.01 0.00 3.22 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 105 T 7.28 4.61 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 1.21 0.00 0.00 106 N 8.62 3.77 0.00 3.02 2.52 0.00 0.00 7.39 7.42 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 0.00 107 A 8.74 3.83 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 0.00 108 R 7.72 3.93 0.00 1.95 1.93 0.00 3.35 0.00 0.00 3.09 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 109 T 7.95 3.79 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 1.21 0.00 0.00 110 R 7.49 4.53 0.00 1.87 1.91 0.00 3.16 0.00 0.00 3.30 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 111 K 8.61 4.44 0.00 1.63 1.67 0.00 1.74 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.36 7.81 112 G 9.01 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 0.00 0.00 0.00 113 P 0.00 3.67 0.00 2.06 1.71 0.00 3.64 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 2.03 2.16 0.00 114 R 8.84 4.80 0.00 1.73 1.78 0.00 3.31 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 115 K 8.19 4.44 0.00 1.65 1.77 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.49 7.81 116 T 8.47 3.05 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 1.21 0.00 0.00 117 V 7.53 3.30 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 0.73 0.00 0.00 1.00 0.00 0.00 118 A 8.20 4.40 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 0.00 119 G 8.23 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 0.00 0.00 0.00 0.00 120 K 8.68 4.13 0.00 1.72 1.73 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.36 7.81 *121 K 8.57 4.13 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.14 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.