NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 K 4.0277 8.2993 119.9952 56.6427 33.7313 175.4722 12 F 4.4835 8.0203 119.1370 54.5794 37.0652 174.1583 13 R 3.6951 8.2286 126.8920 54.8792 31.5132 180.4140 14 V 3.3188 8.3363 125.6603 60.9516 30.8767 172.3366 15 R 3.6760 8.5401 112.0893 57.6120 28.1168 175.6123 16 N 4.3848 7.7030 117.2125 55.5831 39.4652 176.1703 17 R 3.9276 7.5810 115.6189 57.1570 30.4689 175.2179 18 I 3.5368 8.4088 121.8633 62.8739 35.1690 176.1848 19 K 4.3408 7.4967 116.4119 56.7401 31.4456 176.4792 20 R 4.4854 7.6205 117.1814 54.8499 30.5665 175.1673 21 T 4.3681 8.5353 117.7591 65.2434 71.1675 176.4867 22 G 3.8131 7.9085 108.6879 45.7019 0.0000 172.1526 23 R 3.4473 8.3118 119.8279 56.1933 29.7301 175.5327 24 L 3.6001 8.0701 120.3088 55.2110 38.6018 172.6045 25 R 4.5364 8.6679 123.4993 54.6738 31.8788 175.0341 26 L 4.9458 8.4826 129.4243 53.8695 41.7832 174.1455 27 S 4.4928 8.8185 119.9748 58.5946 64.3111 172.2072 28 V 3.6799 8.7505 123.5940 62.3351 30.1524 176.8645 29 F 4.1585 9.7349 129.8386 58.9233 37.9182 171.1632 30 R 4.5908 7.8835 127.1294 54.2732 31.9920 176.6074 31 S 4.3193 7.8724 126.3936 58.2483 61.4988 175.3043 32 L 4.6119 8.5596 114.7270 54.3482 43.9765 176.7704 33 K 4.3971 8.2029 117.5001 57.3786 34.1645 174.7818 34 H 5.5113 7.2764 115.8077 55.7639 31.0050 172.5653 35 I 4.5364 7.9037 117.1506 62.0230 40.5824 174.5655 36 Y 4.9360 9.0637 127.5953 57.2493 40.1425 175.2863 37 A 4.8445 8.7733 120.9701 51.2608 23.2921 175.1591 38 Q 4.6303 9.5623 124.5191 54.2947 32.3197 174.3124 39 I 4.7625 8.8080 128.1853 60.5978 38.3263 174.6181 40 I 4.7197 8.8925 129.2043 59.5064 39.9354 174.7059 41 D 4.9004 8.9906 127.0629 52.9677 42.5296 175.8793 42 D 4.7681 8.4008 127.5050 54.4778 42.7828 177.4158 43 E 3.9936 8.9001 115.5490 58.1270 28.2015 175.5621 44 K 4.3303 8.6077 117.3735 56.4597 34.0557 177.0242 45 G 3.8571 7.9505 104.0256 46.0782 0.0000 174.2856 46 V 4.5124 7.8331 120.4353 61.3256 35.4932 173.5619 47 T 5.0391 8.3582 120.3615 61.8951 70.7686 174.0696 48 L 4.6893 8.6896 124.5369 55.1536 44.5226 177.2077 49 V 4.4263 7.6373 118.2881 61.4077 34.5672 174.4820 50 S 5.3475 8.3947 122.8940 56.9518 66.3048 173.4083 51 A 4.4460 7.9772 118.7063 51.6731 23.1004 175.9285 52 S 4.8468 8.5714 116.4949 55.4141 67.0781 175.6933 53 S 4.7332 7.7985 121.0865 57.3658 60.7685 177.7994 54 L 4.6507 8.4359 119.4334 56.7257 41.5477 176.9080 55 A 4.1907 7.7041 118.9820 52.7947 17.7758 177.4327 56 L 4.3319 7.8187 119.6621 54.4561 44.9351 177.5533 57 K 3.9581 8.2155 123.5689 56.0023 35.9552 174.7048 58 L 3.3744 9.6889 118.8009 56.4630 42.3290 172.9806 59 K 3.5257 8.2311 120.6859 57.7020 31.9924 174.1889 60 G 4.0846 8.2706 106.8054 45.1993 0.0000 171.9552 61 N 4.8423 7.8517 117.8745 51.6661 40.5169 173.8835 62 K 4.2834 7.6744 120.8333 57.3901 31.8368 178.9865 63 T 3.7847 7.8929 113.7650 65.7736 69.2843 175.6259 64 E 3.9865 8.1828 120.5873 59.1378 29.4505 178.9349 65 V 3.5966 7.4491 117.0682 65.7174 32.6482 176.0257 66 A 4.6244 8.4719 122.7219 50.1127 15.2805 177.1358 67 R 5.2041 7.8065 134.2233 56.7391 30.2525 176.2798 68 Q 4.2304 7.3974 117.1102 58.8472 28.4512 179.7707 69 V 3.6533 8.2234 120.5595 64.7789 31.6100 178.2210 70 G 3.9119 8.1322 106.9133 47.5350 0.0000 174.8576 71 R 3.8984 8.4648 120.9875 59.0347 30.2018 178.5430 72 A 3.9953 7.8475 119.4769 55.6195 18.2489 178.8777 73 L 3.8082 8.2918 118.4231 58.3751 42.0139 178.7020 74 A 3.9874 8.2694 120.0588 56.2119 18.4067 178.7820 75 E 3.7791 8.3491 115.1358 60.0551 29.3342 179.6737 76 K 3.8525 8.1918 119.2241 60.5818 32.7321 178.5246 77 A 4.0041 8.4886 121.1118 54.4104 18.2340 179.1454 78 L 4.0136 9.2784 116.8256 57.1449 41.8865 179.7727 79 A 4.0847 7.8694 119.5065 53.9516 19.0297 177.5905 80 L 4.6983 8.5536 116.5476 55.1001 40.6785 176.4236 81 G 4.2426 8.5547 113.6687 46.8525 0.0000 173.4149 82 I 3.5347 7.2863 123.4544 61.0935 36.7078 174.2776 83 K 4.3848 8.3726 123.8769 57.3932 34.6352 174.8910 84 Q 4.5770 7.7775 119.7816 55.5669 30.4966 175.4300 85 V 4.4013 7.9837 123.6754 62.5952 35.4411 172.3486 86 A 4.7673 8.0810 119.1403 50.0983 22.6013 176.7448 87 F 4.9630 9.0126 128.3453 58.2013 41.8144 171.8257 88 D 4.6024 10.4921 119.8508 52.9324 37.9380 180.1915 89 R 3.2181 5.8400 111.2753 56.4628 31.0732 173.0626 90 G 3.8224 7.8649 110.1914 46.9724 0.0000 173.1886 91 P 4.3115 0.0000 0.0000 64.7951 31.3327 180.2208 92 Y 3.5729 8.9583 116.7797 59.6746 40.1388 175.7272 93 K 3.0873 8.4153 120.9179 56.0518 30.1147 172.5720 94 Y 4.0144 6.8767 124.6959 58.0396 38.0738 175.0018 95 H 4.4420 7.9402 132.3776 55.8214 32.3339 172.9109 96 G 3.0259 7.4283 99.0323 47.3655 0.0000 174.0986 97 R 3.7790 8.3119 114.1926 55.7436 30.4208 177.1545 98 V 4.2150 7.5573 122.0919 62.9960 34.1677 172.1750 99 K 4.2009 8.1883 128.1465 54.4004 30.5043 176.0797 100 A 3.9917 7.5684 120.8701 52.2813 17.8524 176.3087 101 L 4.5903 7.9905 121.3355 53.3471 44.7508 176.8781 102 A 4.2018 8.5467 128.6846 53.2232 19.6820 177.0361 103 E 3.7347 9.2523 119.9058 56.8853 27.7246 176.5950 104 G 3.8621 9.2027 108.2189 46.9931 0.0000 173.1784 105 A 4.4619 9.1499 125.2426 51.8416 18.8070 179.0892 106 R 4.1889 7.9986 117.7439 57.0596 30.1820 175.5842 107 E 3.5668 8.5930 121.3292 56.9110 30.3244 174.3509 108 G 3.7235 8.5988 108.2866 45.8876 0.0000 173.9886 *109 G 3.7078 7.8811 113.3164 45.6597 0.0000 172.9968 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 11 K 8.30 4.03 0.00 1.75 1.80 0.00 1.50 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.40 7.81 12 F 8.02 4.48 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 13 R 8.23 3.70 0.00 1.84 1.84 0.00 3.24 0.00 0.00 3.15 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 14 V 8.34 3.32 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 0.79 0.00 0.00 1.02 0.00 0.00 15 R 8.54 3.68 0.00 1.91 1.87 0.00 3.39 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 16 N 7.70 4.38 0.00 2.51 2.64 0.00 0.00 6.97 7.66 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 17 R 7.58 3.93 0.00 1.74 1.88 0.00 3.41 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 18 I 8.41 3.54 1.85 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 1.28 1.10 0.94 0.00 0.00 19 K 7.50 4.34 0.00 1.84 1.96 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.41 7.81 20 R 7.62 4.49 0.00 1.76 1.85 0.00 3.29 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 21 T 8.54 4.37 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 22 G 7.91 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 23 R 8.31 3.45 0.00 1.95 1.92 0.00 3.37 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 24 L 8.07 3.60 0.00 1.84 1.72 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.67 4.54 0.00 1.86 1.76 0.00 3.08 0.00 0.00 3.05 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.50 0.00 26 L 8.48 4.95 0.00 1.87 1.72 1.09 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.82 4.49 0.00 3.82 3.73 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 28 V 8.75 3.68 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 0.89 0.00 0.00 0.92 0.00 0.00 29 F 9.73 4.16 0.00 3.05 3.34 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 0.00 30 R 7.88 4.59 0.00 1.73 1.78 0.00 3.24 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 31 S 7.87 4.32 0.00 3.68 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 32 L 8.56 4.61 0.00 1.63 1.66 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.20 4.40 0.00 1.72 1.95 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.42 7.81 34 H 7.28 5.51 0.00 3.43 3.16 0.00 6.02 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 7.90 4.54 1.87 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 1.41 1.20 0.92 0.00 0.00 36 Y 9.06 4.94 0.00 2.93 2.94 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 37 A 8.77 4.84 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 38 Q 9.56 4.63 0.00 2.10 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.81 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 39 I 8.81 4.76 2.01 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.81 0.94 0.00 0.00 40 I 8.89 4.72 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 1.11 0.89 0.94 0.00 0.00 41 D 8.99 4.90 0.00 2.77 2.56 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 42 D 8.40 4.77 0.00 2.82 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.90 3.99 0.00 2.11 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 0.00 2.21 2.27 0.00 44 K 8.61 4.33 0.00 1.65 1.78 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.37 7.81 45 G 7.95 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 46 V 7.83 4.51 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 1.07 0.00 0.00 0.96 0.00 0.00 47 T 8.36 5.04 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 1.31 0.00 0.00 48 L 8.69 4.69 0.00 1.48 1.69 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.64 4.43 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 1.14 0.00 0.00 0.95 0.00 0.00 50 S 8.39 5.35 0.00 3.80 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 51 A 7.98 4.45 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 52 S 8.57 4.85 0.00 3.31 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 53 S 7.80 4.73 0.00 4.09 2.93 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 54 L 8.44 4.65 0.00 1.06 1.06 0.94 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 55 A 7.70 4.19 1.06 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 56 L 7.82 4.33 0.00 1.52 1.92 0.90 0.49 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 57 K 8.22 3.96 0.00 1.74 1.11 0.00 1.90 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.23 1.23 7.81 58 L 9.69 3.37 0.00 1.70 1.55 0.92 0.61 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 59 K 8.23 3.53 0.00 1.83 1.93 0.00 1.80 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.36 1.40 7.81 60 G 8.27 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 61 N 7.85 4.84 0.00 2.78 2.64 0.00 0.00 7.09 6.75 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 62 K 7.67 4.28 0.00 1.77 1.63 0.00 1.75 0.00 0.00 1.96 0.00 0.00 3.24 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.41 7.81 63 T 7.89 3.78 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 1.15 0.00 0.00 64 E 8.18 3.99 0.00 2.05 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 2.38 2.42 0.00 65 V 7.45 3.60 2.30 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 1.03 0.00 0.00 0.95 0.00 0.00 66 A 8.47 4.62 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 67 R 7.81 5.20 0.00 1.91 2.21 0.00 3.18 0.00 0.00 3.32 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.36 0.00 68 Q 7.40 4.23 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.60 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 69 V 8.22 3.65 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 1.04 0.00 0.00 0.96 0.00 0.00 70 G 8.13 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.46 3.90 0.00 1.91 2.03 0.00 3.32 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.87 0.00 72 A 7.85 4.00 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 L 8.29 3.81 0.00 1.96 1.71 1.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 74 A 8.27 3.99 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 75 E 8.35 3.78 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 2.35 2.40 0.00 76 K 8.19 3.85 0.00 1.93 1.92 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.50 7.81 77 A 8.49 4.00 1.39 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 0.00 0.00 78 L 9.28 4.01 0.00 1.66 1.78 0.93 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 79 A 7.87 4.08 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 80 L 8.55 4.70 0.00 1.66 1.69 1.02 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.55 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 0.00 0.00 0.00 0.00 82 I 7.29 3.53 1.89 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 1.31 1.40 0.94 0.00 0.00 83 K 8.37 4.38 0.00 1.85 1.68 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.39 7.81 84 Q 7.78 4.58 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.45 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 85 V 7.98 4.40 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 0.96 0.00 0.00 1.02 0.00 0.00 86 A 8.08 4.77 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 87 F 9.01 4.96 0.00 3.07 2.76 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 88 D 10.49 4.60 0.00 2.65 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 0.00 0.00 0.00 89 R 5.84 3.22 0.00 1.82 2.27 0.00 3.58 0.00 0.00 3.32 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 90 G 7.86 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.31 0.00 1.96 1.97 0.00 3.78 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.83 0.00 92 Y 8.96 3.57 0.00 3.26 3.33 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 0.00 93 K 8.42 3.09 0.00 1.77 1.75 0.00 1.62 0.00 0.00 1.56 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.32 7.81 94 Y 6.88 4.01 0.00 2.67 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 95 H 7.94 4.44 0.00 2.96 2.98 0.00 6.01 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 96 G 7.43 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 0.00 0.00 0.00 97 R 8.31 3.78 0.00 1.88 1.94 0.00 3.22 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 98 V 7.56 4.22 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 0.55 0.00 0.00 0.06 0.00 0.00 99 K 8.19 4.20 0.00 1.79 1.78 0.00 1.88 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.54 1.49 7.81 100 A 7.57 3.99 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 0.00 101 L 7.99 4.59 0.00 1.75 1.47 0.95 1.09 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 0.00 102 A 8.55 4.20 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 0.00 103 E 9.25 3.73 0.00 2.15 1.84 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 2.22 2.24 0.00 104 G 9.20 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 0.00 105 A 9.15 4.46 1.33 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 0.00 0.00 0.00 106 R 8.00 4.19 0.00 1.85 2.06 0.00 3.53 0.00 0.00 2.58 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.69 0.00 107 E 8.59 3.57 0.00 2.18 1.90 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 2.22 2.27 0.00 108 G 8.60 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 0.00 0.00 0.00 *109 G 7.88 3.71 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.