NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3172 8.1733 120.1344 56.0876 34.3310 177.0359 2 S 4.1614 7.8727 115.0966 59.3570 63.0241 170.9395 3 V 3.6225 8.4819 121.0995 65.4291 32.4454 176.4911 4 Q 4.2284 7.9291 117.6758 57.4634 29.0564 176.3148 5 E 4.2241 7.2783 116.4795 55.8350 30.0104 177.0221 6 K 4.1058 8.4526 121.8350 58.4397 32.6717 177.2109 7 R 4.5521 7.6108 117.9396 54.4004 32.7004 173.7133 8 N 4.3883 9.1233 123.4459 56.3522 38.6903 175.9376 9 N 4.6817 7.8296 120.0816 51.8974 36.8139 173.6127 10 T 4.5930 7.7033 112.7196 60.0819 70.2877 175.1348 11 R 3.9971 8.4645 118.3428 57.3884 27.8870 175.9969 12 A 4.6176 7.2119 119.4534 51.0010 21.0637 178.4384 13 F 3.9747 8.1837 121.7811 61.5716 39.4262 178.2115 14 K 3.2541 8.0545 117.6765 60.0978 32.2152 179.1717 15 T 3.9763 7.7612 116.4666 66.1844 68.5299 176.9893 16 V 3.7080 8.1378 120.2418 66.0599 31.6643 178.0262 17 A 4.3297 8.6327 121.0169 54.8877 18.0824 179.5240 18 K 4.0845 8.3271 118.4303 59.9274 32.1299 179.0059 19 S 4.0853 8.1639 112.2405 61.0147 62.7039 175.4918 20 W 3.8851 8.7328 131.4688 60.3765 30.4698 177.6600 21 F 3.7357 8.9900 120.6596 61.1810 38.5488 176.9243 22 A 3.8175 8.0168 119.1289 54.2995 18.1841 178.6049 23 T 4.2694 6.9507 111.9405 62.0310 68.9298 174.3574 24 K 4.0652 6.8293 121.7528 54.7360 33.5195 175.9281 25 T 4.5645 7.9255 111.6100 61.0884 70.1469 174.8709 26 T 3.8065 7.6703 113.5793 64.7055 68.8770 174.9097 27 W 4.7949 7.5645 120.5524 55.4882 30.2862 176.2747 28 S 4.4989 8.6865 114.5709 57.9923 64.7653 174.6265 29 E 3.9170 8.7786 123.9673 59.6757 29.5077 178.8556 30 D 4.3093 8.0590 117.2599 57.6444 41.4327 177.3399 31 Y 4.1045 7.6522 119.4000 60.8070 38.7186 177.7949 32 Q 3.7514 8.8512 120.8860 58.9262 29.0557 178.0255 33 R 4.0425 7.9882 119.5598 59.5241 30.1035 178.4859 34 S 3.9975 7.8213 112.5012 61.0651 62.3298 176.1013 35 V 3.1395 7.4281 121.2325 65.7347 31.1740 177.8228 36 W 4.1678 8.4751 128.2434 60.8456 30.5710 178.0133 37 T 3.7538 8.1686 115.8921 66.6184 67.8240 176.8227 38 R 4.1557 7.8302 121.2081 58.1183 30.1920 179.1263 39 L 3.6171 7.4097 119.1455 57.5595 41.3153 179.0275 40 E 3.6233 7.2680 117.7812 59.4260 29.1450 179.1042 41 T 3.9244 7.4167 108.6699 63.3845 68.9922 175.7416 42 Y 4.4157 7.4629 116.9705 58.9260 39.5244 176.5043 43 L 4.4905 7.2814 118.0301 54.7919 42.4673 176.1333 44 F 5.2162 7.9376 115.7984 58.6020 41.2325 175.5003 45 P 4.1903 0.0000 0.0000 65.8055 30.8245 177.0089 46 D 4.4767 7.9169 117.0388 56.6863 41.8325 178.0506 47 I 3.6234 7.4953 112.1243 62.9138 38.2634 178.2208 48 G 3.6334 8.3519 110.3412 47.8489 0.0000 173.6974 49 N 4.6708 7.5565 115.8667 53.2289 39.1809 174.4394 50 K 4.5343 7.5796 117.1226 54.9876 34.4251 175.1993 51 D 4.6416 8.4354 121.5225 53.9707 41.2893 176.9696 52 I 3.7506 8.0376 126.6578 63.6055 38.2733 177.7517 53 A 4.7985 8.1868 121.6258 54.0897 18.2540 177.6708 54 E 4.5161 8.1242 112.8511 55.9588 30.0102 175.9469 55 L 4.0807 7.8165 120.6719 54.5509 41.8016 177.2024 56 D 4.7399 8.9552 123.6576 53.3472 43.6219 176.8074 57 T 4.0195 8.6091 118.7857 66.8959 68.4595 176.9156 58 G 3.6334 8.7076 107.4620 47.8237 0.0000 175.3999 59 D 4.3859 7.9335 119.8424 57.3179 41.0882 178.5564 60 L 4.0967 7.8764 118.7467 57.2938 41.5905 179.2568 61 L 4.0872 7.9436 118.7301 56.9502 41.3862 179.2656 62 V 3.6453 7.5044 118.8042 65.4963 31.5566 176.1384 63 P 4.2530 0.0000 0.0000 65.8300 31.1170 178.3517 64 I 3.5954 7.4997 119.4716 64.1642 37.0224 178.3147 65 K 4.0215 8.6256 120.9158 59.1499 31.7031 178.4730 66 K 3.8496 8.1072 119.7052 59.8080 32.4060 178.4198 67 I 3.8385 7.5576 119.1963 63.7947 36.8611 177.9453 68 E 3.8823 8.3716 119.0684 59.3871 29.3365 178.2432 69 K 4.3616 8.0956 114.6668 56.1760 32.2172 177.3830 70 L 4.0291 7.7005 122.2966 56.3167 42.1930 177.7258 71 G 3.7105 8.6984 105.7827 45.4489 0.0000 173.3064 72 Y 4.6547 7.3809 117.6725 54.9908 39.0609 175.9874 73 L 4.0032 8.2777 124.9915 57.4645 41.9370 178.5622 74 E 3.9473 8.1594 118.0684 59.4702 29.5029 179.2611 75 I 3.5988 7.7718 118.9609 64.2668 37.2304 178.0961 76 A 3.8587 7.8850 121.4273 55.5900 18.3695 179.6491 77 M 4.0401 8.3992 117.5097 58.4899 31.9379 179.3527 78 R 3.6026 8.0658 118.4995 59.0203 30.2538 179.2189 79 V 3.6335 8.0108 118.4049 65.5589 31.4092 177.7132 80 K 3.7605 8.3251 119.9441 59.8517 31.9437 178.7330 81 Q 3.9595 7.6269 117.4874 58.8649 28.6770 177.8455 82 Y 4.5226 7.9825 118.0552 61.3812 37.9903 178.8094 83 A 4.0777 8.5844 121.6671 55.5170 18.5107 179.6069 84 T 3.7265 8.1072 114.1016 66.8453 68.5004 176.6001 85 A 4.1497 8.1671 122.4611 55.3347 18.3644 179.8190 86 I 3.4105 7.3004 118.3229 64.5986 36.9909 178.6305 87 M 4.1593 8.7807 120.0173 58.2030 31.6837 178.7680 88 R 3.9962 8.2794 119.0765 59.7416 30.3056 178.0529 89 Y 4.2218 8.2914 119.0734 60.3786 38.6558 177.7387 90 A 3.9261 8.3586 122.4461 55.0925 18.4450 179.7445 91 V 3.7308 7.9699 118.3075 65.7624 31.3585 178.3064 92 Q 3.9619 7.7489 116.4653 58.2793 28.5067 177.6581 93 Q 4.2519 7.2192 116.4976 54.6067 28.8858 175.6179 94 K 3.8819 7.7820 119.4118 57.5678 31.6312 176.4560 95 M 4.2463 8.3379 120.1004 56.8757 32.3693 176.5323 96 I 4.9208 7.2564 110.3368 58.6610 40.6763 176.3931 97 R 3.7015 8.6468 121.6038 58.8567 30.0649 176.7677 98 F 4.8980 7.5473 112.4001 54.8114 43.4550 174.4433 99 N 4.7676 8.8924 119.1488 52.3536 39.0976 174.5846 100 P 4.5415 0.0000 0.0000 65.5319 31.2278 178.5304 101 A 4.0153 7.9667 118.5471 54.9343 18.3848 178.5004 102 Y 4.3979 7.7285 113.9305 60.4449 38.4394 177.1526 103 D 4.6865 8.5571 118.8008 56.2869 41.3737 176.2825 104 L 4.1304 7.8360 125.0521 54.6883 41.1063 176.7408 105 E 4.1419 8.6020 125.1957 57.1868 29.5792 178.1901 106 G 3.8958 7.8518 106.7480 45.3611 0.0000 174.6161 107 A 4.0793 8.0288 122.9371 54.6647 18.5226 178.5900 108 V 4.1248 7.5257 114.2914 61.7292 32.5669 175.2258 109 Q 4.4375 8.6660 124.1129 56.0703 28.7836 174.9270 110 K 4.7017 7.4431 117.4431 55.4211 35.6472 175.6094 111 L 4.3526 8.4667 118.1492 55.5723 41.7928 176.4995 112 E 4.4839 7.7256 118.4359 55.4046 31.3212 175.3639 113 H 4.8083 8.4094 115.2494 56.3685 29.4898 175.2039 114 H 4.9507 7.7778 116.0046 54.1959 31.8379 173.3715 115 H 4.4070 8.8219 119.7267 57.7514 29.1888 175.3529 116 H 4.8310 7.9139 118.0513 54.3948 31.4322 173.7470 117 H 4.4698 8.6602 124.4150 58.8345 29.0606 175.0336 118 H 4.4641 7.7639 118.2527 55.9771 27.9918 173.0511 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 K 8.17 4.32 0.00 1.84 1.92 0.00 1.64 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.47 7.81 2 S 7.87 4.16 0.00 3.97 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 3 V 8.48 3.62 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 0.79 0.00 0.00 0.93 0.00 0.00 4 Q 7.93 4.23 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.71 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 5 E 7.28 4.22 0.00 2.14 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 2.35 2.29 0.00 6 K 8.45 4.11 0.00 1.72 1.83 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.42 7.81 7 R 7.61 4.55 0.00 1.75 1.74 0.00 3.31 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 1.51 1.64 0.00 8 N 9.12 4.39 0.00 2.73 2.87 0.00 0.00 7.02 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 N 7.83 4.68 0.00 2.67 2.74 0.00 0.00 6.82 7.72 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 10 T 7.70 4.59 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 1.26 0.00 0.00 11 R 8.46 4.00 0.00 2.07 2.06 0.00 3.11 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 12 A 7.21 4.62 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 13 F 8.18 3.97 0.00 3.21 3.20 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 14 K 8.05 3.25 0.00 1.28 1.35 0.00 1.39 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.60 1.41 7.81 15 T 7.76 3.98 4.40 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 1.26 0.00 0.00 16 V 8.14 3.71 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 1.05 0.00 0.00 1.06 0.00 0.00 17 A 8.63 4.33 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 18 K 8.33 4.08 0.00 2.41 2.17 0.00 1.59 0.00 0.00 1.97 0.00 0.00 3.10 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.56 7.81 19 S 8.16 4.09 0.00 4.14 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 0.00 20 W 8.73 3.89 0.00 3.22 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 21 F 8.99 3.74 0.00 3.02 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.02 3.82 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 23 T 6.95 4.27 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 1.06 0.00 0.00 24 K 6.83 4.07 0.00 1.06 1.06 0.00 0.87 0.00 0.00 1.19 0.00 0.00 2.67 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.30 0.21 7.81 25 T 7.93 4.56 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 0.98 0.00 0.00 26 T 7.67 3.81 3.95 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 0.00 0.00 0.99 0.00 0.00 27 W 7.56 4.79 0.00 3.72 3.32 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 28 S 8.69 4.50 0.00 4.13 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 29 E 8.78 3.92 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 2.33 0.00 30 D 8.06 4.31 0.00 2.80 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 31 Y 7.65 4.10 0.00 3.20 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 32 Q 8.85 3.75 0.00 2.41 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.18 6.21 0.00 0.00 0.00 0.00 0.00 2.65 2.67 0.00 33 R 7.99 4.04 0.00 2.10 2.19 0.00 3.19 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 34 S 7.82 4.00 0.00 3.91 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 35 V 7.43 3.14 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 0.10 0.00 0.00 -0.32 0.00 0.00 36 W 8.48 4.17 0.00 3.14 3.04 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 0.00 0.00 0.00 0.00 37 T 8.17 3.75 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 1.12 0.00 0.00 38 R 7.83 4.16 0.00 2.01 2.08 0.00 3.15 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 39 L 7.41 3.62 0.00 0.90 0.70 1.22 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 40 E 7.27 3.62 0.00 1.67 1.79 0.00 0.00 0.00 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 1.94 0.00 41 T 7.42 3.92 3.52 0.00 0.00 0.00 0.00 0.00 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 42 Y 7.46 4.42 0.00 3.04 2.91 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 43 L 7.28 4.49 0.00 1.59 1.48 0.81 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 44 F 7.94 5.22 0.00 3.15 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 45 P 0.00 4.19 0.00 2.03 2.13 0.00 3.81 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 46 D 7.92 4.48 0.00 2.65 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.50 3.62 1.54 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 -0.01 0.73 0.00 0.00 48 G 8.35 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 0.00 0.00 0.00 49 N 7.56 4.67 0.00 2.48 2.82 0.00 0.00 7.09 6.56 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 50 K 7.58 4.53 0.00 2.02 1.69 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.49 7.81 51 D 8.44 4.64 0.00 2.77 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.04 3.75 2.05 0.00 0.00 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 1.34 1.35 1.06 0.00 0.00 53 A 8.19 4.80 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 54 E 8.12 4.52 0.00 1.97 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 2.27 2.26 0.00 55 L 7.82 4.08 0.00 1.87 1.66 1.02 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.96 4.74 0.00 2.76 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 57 T 8.61 4.02 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 1.28 0.00 0.00 58 G 8.71 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 0.00 0.00 0.00 59 D 7.93 4.39 0.00 2.92 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 60 L 7.88 4.10 0.00 1.72 1.67 0.96 0.33 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 61 L 7.94 4.09 0.00 1.88 1.70 0.92 0.53 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 62 V 7.50 3.65 2.19 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 1.12 0.00 0.00 1.04 0.00 0.00 63 P 0.00 4.25 0.00 2.25 2.25 0.00 3.82 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 64 I 7.50 3.60 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 1.35 0.62 0.86 0.00 0.00 65 K 8.63 4.02 0.00 1.92 1.93 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.43 7.81 66 K 8.11 3.85 0.00 1.93 2.04 0.00 1.91 0.00 0.00 1.85 0.00 0.00 3.10 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.56 1.55 7.81 67 I 7.56 3.84 1.72 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.83 0.74 0.00 0.00 68 E 8.37 3.88 0.00 1.99 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 2.41 2.41 0.00 69 K 8.10 4.36 0.00 1.70 1.80 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.45 7.81 70 L 7.70 4.03 0.00 1.89 1.87 1.05 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.70 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 72 Y 7.38 4.65 0.00 2.88 2.74 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 73 L 8.28 4.00 0.00 1.68 1.69 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.16 3.95 0.00 2.03 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 2.41 2.42 0.00 75 I 7.77 3.60 1.93 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.53 0.69 0.00 0.00 76 A 7.89 3.86 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.40 4.04 0.00 1.97 2.07 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.54 0.00 78 R 8.07 3.60 0.00 1.78 1.43 0.00 3.13 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.74 0.00 79 V 8.01 3.63 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 0.98 0.00 0.00 1.05 0.00 0.00 80 K 8.33 3.76 0.00 1.86 1.90 0.00 1.49 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.45 7.81 81 Q 7.63 3.96 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.48 0.00 0.00 0.00 0.00 0.00 2.59 2.53 0.00 82 Y 7.98 4.52 0.00 3.08 2.87 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 0.00 0.00 0.00 0.00 83 A 8.58 4.08 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 84 T 8.11 3.73 4.36 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 0.93 0.00 0.00 85 A 8.17 4.15 1.60 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 0.00 0.00 86 I 7.30 3.41 1.80 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 -0.23 0.45 0.00 0.00 87 M 8.78 4.16 0.00 2.12 2.33 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.68 0.00 88 R 8.28 4.00 0.00 2.22 2.29 0.00 3.27 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.77 0.00 89 Y 8.29 4.22 0.00 3.26 3.22 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 90 A 8.36 3.93 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 91 V 7.97 3.73 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 1.16 0.00 0.00 1.15 0.00 0.00 92 Q 7.75 3.96 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 7.10 0.00 0.00 0.00 0.00 0.00 2.40 2.68 0.00 93 Q 7.22 4.25 0.00 1.92 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.64 0.00 0.00 0.00 0.00 0.00 2.01 1.80 0.00 94 K 7.78 3.88 0.00 1.81 1.82 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.29 1.33 7.81 95 M 8.34 4.25 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.45 0.00 96 I 7.26 4.92 1.92 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.99 1.01 0.00 0.00 97 R 8.65 3.70 0.00 1.85 1.85 0.00 3.22 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 98 F 7.55 4.90 0.00 3.02 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 99 N 8.89 4.77 0.00 3.25 2.95 0.00 0.00 7.05 8.36 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 0.00 100 P 0.00 4.54 0.00 2.19 2.15 0.00 3.68 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.23 0.00 101 A 7.97 4.02 1.16 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 0.00 0.00 0.00 0.00 0.00 102 Y 7.73 4.40 0.00 3.19 2.95 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 0.00 0.00 0.00 103 D 8.56 4.69 0.00 2.71 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 0.00 104 L 7.84 4.13 0.00 1.79 1.58 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.60 4.14 0.00 2.01 1.99 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 2.33 2.50 0.00 106 G 7.85 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 0.00 107 A 8.03 4.08 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 0.00 108 V 7.53 4.12 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 0.78 0.00 0.00 0.79 0.00 0.00 109 Q 8.67 4.44 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.51 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 110 K 7.44 4.70 0.00 1.70 1.75 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.33 1.42 7.81 111 L 8.47 4.35 0.00 1.63 1.69 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 112 E 7.73 4.48 0.00 1.94 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 0.00 2.23 2.32 0.00 113 H 8.41 4.81 0.00 3.20 3.34 0.00 5.66 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 0.00 114 H 7.78 4.95 0.00 3.05 3.35 0.00 5.71 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 H 8.82 4.41 0.00 3.11 3.35 0.00 5.86 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.91 4.83 0.00 3.07 3.20 0.00 5.73 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 8.66 4.47 0.00 3.16 3.35 0.00 5.96 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 H 7.76 4.46 0.00 3.23 3.20 0.00 5.56 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00