NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3948 8.2644 122.4702 52.0772 19.9132 176.1774 2 T 4.1497 8.4864 117.8497 61.3827 69.1824 171.6671 3 K 5.3727 8.9722 126.6656 54.8002 36.9464 174.4437 4 A 5.3567 9.0066 124.0530 50.7058 23.4805 175.0078 5 V 5.0561 9.1262 117.4593 60.6989 35.4715 173.7880 6 C 5.1544 9.0975 121.6158 57.9209 35.2956 172.5166 7 V 4.7195 8.4837 125.4451 61.2015 33.6323 173.8772 8 L 5.2139 9.0743 128.0089 53.1309 44.3231 175.7060 9 K 4.9753 8.9129 121.4375 55.6244 36.9667 176.2004 10 G 4.5311 7.9894 108.6106 44.9257 0.0000 173.4155 11 D 4.7959 8.8057 122.4761 54.5758 41.0661 176.6023 12 G 4.1025 7.4261 109.2268 44.2523 0.0000 171.4137 13 P 4.4637 0.0000 0.0000 63.0735 32.0175 175.4514 14 V 4.7281 7.8120 120.4762 62.6270 31.9587 175.0140 15 Q 5.2793 7.6756 124.4496 56.0426 31.9393 173.3528 16 G 4.2885 8.0662 106.6069 46.2018 0.0000 171.8103 17 I 5.1572 8.1592 120.3815 59.3557 40.9456 175.0419 18 I 4.7290 8.8458 126.8709 59.4712 41.0416 174.2409 19 N 5.1368 8.1319 123.0463 51.2745 41.9680 173.6094 20 F 5.4429 8.6650 118.9718 55.9477 43.6586 173.6458 21 E 5.2867 9.6478 122.8040 54.8637 33.1304 173.6694 22 Q 4.9340 9.1486 127.5201 54.1420 30.8547 175.4848 23 K 3.9308 8.8903 127.4618 59.4945 32.6169 177.6400 24 E 4.7048 7.7881 112.2901 55.1464 32.4716 176.8420 25 S 4.3778 8.9408 118.0702 61.0366 63.1384 174.9881 26 N 4.5089 8.1543 116.8407 54.4248 38.7854 175.2604 27 G 3.8751 8.0113 107.9237 44.4447 0.0000 171.2014 28 P 4.7360 0.0000 0.0000 62.5213 32.6989 175.6572 29 V 4.6580 8.9426 121.5862 61.4102 33.7869 174.5643 30 K 5.1341 9.3280 128.1223 55.2831 34.2364 176.0021 31 V 5.4858 9.2851 124.0005 58.7052 34.4230 174.4781 32 W 5.5116 6.9312 119.7075 55.9226 31.4096 175.0999 33 G 4.0197 7.4390 105.9884 45.7815 0.0000 170.7688 34 S 5.1715 7.7466 112.6695 56.5899 66.6138 174.0930 35 I 5.0637 8.7105 125.5029 59.4811 40.8059 175.1365 36 K 4.8139 9.3042 126.8204 56.0565 35.5041 177.5139 37 G 4.0456 8.7951 106.6902 46.3497 0.0000 173.8475 38 L 4.2357 7.3928 120.4273 53.8895 42.4720 176.8944 39 T 4.2902 8.1340 111.5769 61.0803 69.5278 173.8414 40 E 4.0876 8.4613 124.0129 57.3666 30.7872 175.5676 41 G 3.8364 8.5342 110.7200 43.9837 0.0000 171.4996 42 L 4.7794 8.2803 120.6063 54.1834 42.9969 176.0853 43 H 4.8604 9.4724 121.7990 53.4114 31.6846 173.7234 44 G 4.2999 9.0494 111.0284 47.1780 0.0000 171.8855 45 F 5.7055 9.6670 126.0049 56.8529 42.3415 173.2316 46 H 5.3499 8.9822 122.7176 53.9896 33.5798 172.7686 47 V 4.4828 8.4841 121.7953 62.6159 32.8505 174.7045 48 H 5.2998 9.2662 124.8403 53.7899 31.3400 175.1427 49 E 3.8269 9.1387 122.3348 58.4054 30.1882 177.0821 50 F 4.9628 8.1121 118.1535 54.7730 42.4233 176.2901 51 G 4.6555 8.5774 112.2628 44.6619 0.0000 173.5442 52 D 4.7232 8.0792 119.1827 52.5792 42.3817 174.5941 53 N 5.0704 8.5306 124.2853 53.2351 39.2864 176.3624 54 R 3.8774 8.2990 115.3912 58.3041 29.5762 177.2663 55 A 4.6294 8.4235 120.2252 51.4892 19.9766 177.3077 56 G 3.9395 8.0647 106.0778 46.6220 0.0000 175.2328 57 C 4.3143 8.7491 115.0422 60.2372 38.5586 175.6681 58 T 3.7259 7.9967 116.9140 66.6329 67.7424 176.1542 59 S 4.3482 7.7408 115.7394 60.5849 63.1941 175.8326 60 A 4.6712 7.2998 125.1577 54.2515 18.1459 178.4898 61 G 4.1662 7.9517 104.0534 44.4618 0.0000 170.7687 62 P 4.7206 0.0000 0.0000 61.6467 33.8937 174.9118 63 H 4.2814 8.5657 115.8893 56.4354 29.2876 175.2730 64 F 4.2236 9.1093 125.9034 58.5468 40.3455 174.1629 65 N 4.9360 8.1421 124.6118 51.1696 39.2842 172.4839 66 P 4.0634 0.0000 0.0000 64.5145 31.8795 176.4227 *80 H 5.0607 7.8117 114.2818 55.3256 29.8381 174.3872 81 V 3.5188 8.4295 122.2635 66.0489 31.6524 177.7172 82 G 3.7565 8.2931 107.0343 48.7960 0.0000 172.4598 83 D 4.6592 7.7996 119.3296 54.7791 41.0641 175.4786 84 L 4.4822 8.4203 125.4602 53.5304 42.4157 179.1133 85 G 3.7703 7.9617 108.2500 46.8303 0.0000 173.3560 86 N 5.5920 8.6874 121.4185 51.4830 42.2606 173.8686 87 V 4.4222 8.3695 112.4133 59.8678 35.4724 175.0752 88 T 5.0042 8.2422 118.8547 61.7654 71.6124 172.8380 89 A 4.7136 9.1645 129.3632 50.7905 20.6863 177.6457 90 D 4.9117 8.9444 123.3354 52.4527 40.7985 176.9900 91 K 4.1423 8.5866 117.2071 60.0656 32.5240 177.1716 92 D 4.6225 8.2508 117.1617 53.9245 40.8533 176.7821 93 G 4.2834 8.3840 107.5719 44.8567 0.0000 172.8406 94 V 4.6050 8.8591 120.2078 60.7361 33.7396 174.2821 95 A 5.1255 8.6916 129.5733 49.4941 21.3664 174.8087 96 D 4.9648 8.6861 123.4108 53.0848 42.0246 176.2758 97 V 4.0286 8.7443 125.4257 62.0102 33.2602 175.2271 98 S 4.9393 8.3933 122.2644 57.6606 64.6714 172.9814 99 I 4.8569 9.5279 127.9004 59.5820 41.8874 173.8158 100 E 5.2076 8.8684 125.2002 54.5061 32.0748 174.4564 101 D 4.9418 9.1947 125.8586 52.5774 44.5706 175.8634 102 S 4.7339 8.8639 119.8696 58.4583 63.4956 174.4521 103 V 4.1845 7.9493 120.8059 64.3000 32.6013 176.2939 104 I 4.0816 8.0199 111.5971 61.1421 38.3767 174.3466 105 S 4.6121 8.1720 113.8010 57.8396 65.0869 173.9189 106 L 4.5458 8.5576 121.4829 53.8979 41.5719 176.2742 107 S 4.3684 7.9988 112.2522 58.2852 66.1187 175.9834 108 G 3.9576 8.3871 109.4322 44.9984 0.0000 173.7557 109 D 4.4697 8.7689 117.1952 57.1028 40.8469 176.9823 110 H 4.9166 8.0762 113.7119 55.1655 29.3003 174.3870 111 C 4.0658 7.8735 120.9040 60.2208 31.7099 173.4396 112 I 3.8317 7.9726 118.4213 60.3857 38.3950 175.6649 113 I 3.7913 7.2805 123.1027 62.8537 37.3084 176.2433 114 G 3.8102 9.8412 114.5499 45.1869 0.0000 172.8203 115 R 4.7250 7.4279 118.9505 54.8098 33.6735 174.5704 116 T 4.9248 8.0282 115.6491 62.1039 70.9534 173.8317 117 L 4.8892 8.5112 128.6618 53.7442 43.8916 175.3156 118 V 5.0298 9.0615 126.3245 60.9384 35.3566 174.2312 119 V 5.1068 8.7118 125.6799 60.4561 33.6268 174.4774 120 H 5.1908 9.0781 122.5114 54.2784 30.2824 174.9225 121 E 4.1646 9.4100 122.9889 59.4485 29.7293 177.4135 122 K 4.6726 7.9794 117.0855 54.1160 35.1406 175.6791 123 A 4.4790 8.4145 124.0975 52.2425 19.1252 178.2070 124 D 4.5294 10.4405 121.1172 54.5671 39.0502 173.8350 *142 S 4.1951 7.9713 116.6394 57.6201 64.3429 172.1233 143 R 4.5449 8.5654 126.1719 55.2743 30.1165 176.3250 144 L 4.2484 9.2373 125.8556 57.4948 42.5825 177.2865 145 A 5.0788 7.7741 118.0149 51.4074 22.9517 173.4593 146 C 5.7207 8.3017 113.2299 55.1588 44.9623 172.8392 147 G 4.7522 8.1035 102.9005 45.8576 0.0000 173.0120 148 V 4.2844 8.3916 123.0842 62.6931 32.6226 175.5423 149 I 4.2714 8.8187 129.5519 60.7733 38.0794 175.2404 150 G 4.4812 8.9912 114.4269 43.9324 0.0000 171.1074 151 I 4.5087 8.2271 120.5138 60.7179 37.7228 176.0340 152 A 4.6792 8.2067 128.8010 49.8889 21.4851 176.7429 153 Q 4.0673 8.4445 118.7546 56.4802 29.2016 175.9670 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 1 A 8.26 4.39 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 2 T 8.49 4.15 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 1.23 0.00 0.00 3 K 8.97 5.37 0.00 1.76 1.71 0.00 1.73 0.00 0.00 1.92 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.64 7.81 4 A 9.01 5.36 1.15 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 0.00 0.00 5 V 9.13 5.06 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 0.83 0.00 0.00 0.94 0.00 0.00 6 C 9.10 5.15 0.00 3.15 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 7 V 8.48 4.72 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 0.94 0.00 0.00 0.92 0.00 0.00 8 L 9.07 5.21 0.00 1.63 1.56 1.01 0.67 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 9 K 8.91 4.98 0.00 1.67 1.63 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.39 7.81 10 G 7.99 4.53 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 0.00 11 D 8.81 4.80 0.00 2.68 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.43 4.10 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 13 P 0.00 4.46 0.00 2.22 2.28 0.00 3.69 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 2.19 1.94 0.00 14 V 7.81 4.73 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 1.05 0.00 0.00 0.96 0.00 0.00 15 Q 7.68 5.28 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.57 0.00 0.00 0.00 0.00 0.00 2.31 2.19 0.00 16 G 8.07 4.29 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 0.00 17 I 8.16 5.16 1.80 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.05 0.81 0.00 0.00 18 I 8.85 4.73 1.83 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 1.24 1.35 0.46 0.00 0.00 19 N 8.13 5.14 0.00 1.44 1.42 0.00 0.00 6.55 8.14 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 20 F 8.67 5.44 0.00 2.96 2.92 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 21 E 9.65 5.29 0.00 2.43 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 2.30 2.38 0.00 22 Q 9.15 4.93 0.00 2.21 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.46 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 23 K 8.89 3.93 0.00 1.80 1.91 0.00 1.85 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.41 7.81 24 E 7.79 4.70 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 2.15 2.20 0.00 25 S 8.94 4.38 0.00 4.01 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 26 N 8.15 4.51 0.00 2.74 2.92 0.00 0.00 6.88 7.65 0.00 0.00 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 G 8.01 3.88 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 0.00 0.00 0.00 28 P 0.00 4.74 0.00 2.13 2.09 0.00 3.76 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 29 V 8.94 4.66 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 1.37 0.00 0.00 1.08 0.00 0.00 30 K 9.33 5.13 0.00 1.82 1.77 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.36 1.41 7.81 31 V 9.29 5.49 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 0.97 0.00 0.00 0.81 0.00 0.00 32 W 6.93 5.51 0.00 3.51 3.23 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 0.00 33 G 7.44 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 0.00 0.00 0.00 0.00 34 S 7.75 5.17 0.00 3.85 3.63 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 I 8.71 5.06 1.79 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.45 0.88 0.00 0.00 36 K 9.30 4.81 0.00 1.75 1.91 0.00 1.34 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.44 1.35 7.81 37 G 8.80 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 38 L 7.39 4.24 0.00 1.76 1.52 0.71 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.13 4.29 4.27 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 1.23 0.00 0.00 40 E 8.46 4.09 0.00 1.96 1.91 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 2.29 2.31 0.00 41 G 8.53 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 42 L 8.28 4.78 0.00 1.47 1.57 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 43 H 9.47 4.86 0.00 3.00 3.37 0.00 5.65 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 44 G 9.05 4.30 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 0.00 45 F 9.67 5.71 0.00 2.93 2.98 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 46 H 8.98 5.35 0.00 3.30 3.01 0.00 5.85 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.48 4.48 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 0.87 0.00 0.00 0.85 0.00 0.00 48 H 9.27 5.30 0.00 3.05 3.36 0.00 5.68 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 9.14 3.83 0.00 1.72 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 1.47 2.21 0.00 50 F 8.11 4.96 0.00 3.14 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 51 G 8.58 4.66 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 52 D 8.08 4.72 0.00 2.66 2.80 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 53 N 8.53 5.07 0.00 2.82 2.72 0.00 0.00 6.91 7.65 0.00 0.00 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 R 8.30 3.88 0.00 1.97 2.12 0.00 3.04 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.56 0.00 55 A 8.42 4.63 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 56 G 8.06 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 57 C 8.75 4.31 0.00 2.97 3.11 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 58 T 8.00 3.73 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 59 S 7.74 4.35 0.00 4.00 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 60 A 7.30 4.67 1.42 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 0.00 0.00 61 G 7.95 4.17 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 62 P 0.00 4.72 0.00 2.06 2.21 0.00 3.74 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 2.00 2.01 0.00 63 H 8.57 4.28 0.00 2.74 3.14 0.00 5.72 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 64 F 9.11 4.22 0.00 2.88 3.01 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 0.00 0.00 0.00 65 N 8.14 4.94 0.00 2.54 2.43 0.00 0.00 7.18 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 66 P 0.00 4.06 0.00 1.91 1.99 0.00 3.07 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.28 0.00 *80 H 7.81 5.06 0.00 3.21 3.33 0.00 5.92 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.43 3.52 1.63 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 0.68 0.00 0.00 0.52 0.00 0.00 82 G 8.29 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 83 D 7.80 4.66 0.00 2.93 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 84 L 8.42 4.48 0.00 1.70 1.79 0.81 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 85 G 7.96 3.77 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 0.00 86 N 8.69 5.59 0.00 2.58 2.83 0.00 0.00 6.53 7.68 0.00 0.00 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 V 8.37 4.42 1.74 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 -0.40 0.00 0.00 0.61 0.00 0.00 88 T 8.24 5.00 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 1.22 0.00 0.00 89 A 9.16 4.71 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 90 D 8.94 4.91 0.00 2.86 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 91 K 8.59 4.14 0.00 1.88 1.99 0.00 1.56 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.40 1.46 7.81 92 D 8.25 4.62 0.00 2.68 2.71 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 93 G 8.38 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 0.00 0.00 0.00 0.00 94 V 8.86 4.60 2.32 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 0.83 0.00 0.00 0.92 0.00 0.00 95 A 8.69 5.13 1.15 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 0.00 0.00 96 D 8.69 4.96 0.00 2.56 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 97 V 8.74 4.03 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 0.81 0.00 0.00 0.74 0.00 0.00 98 S 8.39 4.94 0.00 3.92 3.72 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 99 I 9.53 4.86 2.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.71 1.01 0.00 0.00 100 E 8.87 5.21 0.00 1.96 1.83 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 2.21 2.30 0.00 101 D 9.19 4.94 0.00 2.87 2.53 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 0.00 102 S 8.86 4.73 0.00 3.91 3.88 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 0.00 103 V 7.95 4.18 2.27 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 0.86 0.00 0.00 0.96 0.00 0.00 104 I 8.02 4.08 1.91 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.80 1.05 0.00 0.00 105 S 8.17 4.61 0.00 3.89 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 0.00 106 L 8.56 4.55 0.00 1.80 1.62 1.03 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 107 S 8.00 4.37 0.00 3.92 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 0.00 108 G 8.39 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 0.00 109 D 8.77 4.47 0.00 2.71 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 0.00 110 H 8.08 4.92 0.00 3.16 3.49 0.00 5.75 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 C 7.87 4.07 0.00 3.13 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 0.00 112 I 7.97 3.83 1.51 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.17 0.81 0.00 0.00 113 I 7.28 3.79 1.77 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.43 0.89 0.00 0.00 114 G 9.84 3.81 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 0.00 0.00 0.00 115 R 7.43 4.73 0.00 1.55 1.77 0.00 2.21 0.00 0.00 2.39 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.32 0.00 116 T 8.03 4.92 4.27 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 1.24 0.00 0.00 117 L 8.51 4.89 0.00 1.78 1.55 0.37 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 118 V 9.06 5.03 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 0.75 0.00 0.00 0.78 0.00 0.00 119 V 8.71 5.11 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 0.95 0.00 0.00 0.96 0.00 0.00 120 H 9.08 5.19 0.00 3.30 3.36 0.00 5.67 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 9.41 4.16 0.00 2.16 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 2.37 2.35 0.00 122 K 7.98 4.67 0.00 1.78 1.73 0.00 1.74 0.00 0.00 1.84 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.46 7.81 123 A 8.41 4.48 1.23 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 0.00 0.00 0.00 124 D 10.44 4.53 0.00 3.10 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 *142 S 7.97 4.20 0.00 4.05 3.88 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 0.00 143 R 8.57 4.54 0.00 1.70 1.80 0.00 3.24 0.00 0.00 3.12 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 144 L 9.24 4.25 0.00 1.73 1.70 0.96 0.76 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 0.00 145 A 7.77 5.08 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 0.00 146 C 8.30 5.72 0.00 3.02 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 0.00 147 G 8.10 4.75 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 0.00 148 V 8.39 4.28 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 0.81 0.00 0.00 0.92 0.00 0.00 149 I 8.82 4.27 1.77 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.78 0.39 0.00 0.00 150 G 8.99 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 I 8.23 4.51 1.86 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 1.25 0.55 0.91 0.00 0.00 152 A 8.21 4.68 1.24 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 0.00 0.00 153 Q 8.44 4.07 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.