NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 S 4.3992 8.3193 115.2902 58.0067 63.3801 173.3132 17 N 4.6382 8.3939 125.6204 51.7276 39.0283 173.0684 18 A 4.8556 8.3581 122.1920 52.2400 20.1785 177.6760 19 I 4.8477 8.7625 111.5411 59.5454 41.9273 174.2875 20 V 4.8559 8.7678 122.7831 61.3327 34.3724 174.1871 21 V 4.7940 9.0830 128.9903 61.5341 33.3061 174.6187 22 L 5.1255 8.9921 128.6121 54.4403 43.4566 175.2906 23 C 5.6779 8.8921 120.9193 59.5591 35.4492 172.5670 24 T 5.3756 8.6972 113.5048 59.9506 71.5612 172.7815 25 A 4.5849 8.6993 123.6799 49.3356 22.3074 175.7040 26 P 4.5673 0.0000 0.0000 65.4128 32.0726 176.3316 27 D 4.6482 7.3969 117.3205 51.1755 43.5780 176.0359 28 E 3.9330 8.6706 118.8698 59.2246 29.3763 179.3064 29 A 3.9793 7.9709 120.6501 55.4037 18.5372 179.7821 30 S 4.0677 8.7196 112.7263 61.2961 63.0129 176.4630 31 A 3.9542 7.8897 124.2422 55.0576 18.0498 179.6525 32 Q 3.9018 8.3617 116.8620 59.1316 28.8228 178.6483 33 N 4.3176 8.1297 117.4886 56.2289 38.5203 177.1505 34 L 4.0275 8.0852 121.3327 58.1169 42.1430 178.7196 35 A 4.0913 8.2564 120.5294 55.3158 18.3175 179.3630 36 A 3.9436 8.3250 119.4876 55.4273 18.4157 179.9556 37 Q 3.9116 8.2178 116.4036 59.1557 28.8941 178.9682 38 V 3.1681 8.0964 119.5251 66.0359 31.5417 178.0991 39 L 4.0831 8.3431 119.0434 57.6675 41.2378 179.6647 40 G 3.6335 7.9986 104.8819 47.5795 0.0000 174.7716 41 E 4.0779 7.7851 117.8399 55.4613 30.3290 176.4808 42 K 3.7099 7.7878 118.3827 57.6406 30.1346 176.2157 43 L 4.4602 7.7030 115.8865 54.6709 42.5904 176.8031 44 A 4.5827 7.3029 119.6527 50.8973 21.9868 175.8401 45 A 4.1057 8.7902 122.6460 54.0595 19.8826 177.7852 46 C 4.8304 7.8654 113.7894 58.1989 35.4673 173.1143 47 V 4.6225 8.3936 124.5851 61.4312 33.6544 174.3595 48 T 4.5533 8.6278 125.0641 61.8457 70.6531 173.4093 49 L 4.8782 8.4414 126.1502 53.1947 43.9327 176.6524 50 L 4.7147 8.9777 124.7144 52.1578 42.4265 174.4126 51 P 4.5579 0.0000 0.0000 62.6908 32.8567 176.6579 52 G 3.7649 8.7467 105.8630 45.9906 0.0000 173.6137 53 A 4.4978 7.7752 121.4360 51.6953 20.1571 177.2780 54 T 5.0546 8.4137 114.9592 61.9277 71.7314 173.8561 55 S 4.9461 9.4654 122.3298 56.6825 65.9768 173.0316 56 L 5.4587 8.4190 123.3883 52.4338 44.2609 175.1671 57 Y 4.7055 7.2440 118.1228 56.7216 40.8611 172.1211 58 Y 4.8109 8.9566 118.3833 56.8965 39.7521 175.2476 59 W 5.0042 9.0308 133.1840 56.6269 33.3341 174.7981 60 E 3.7293 9.2306 126.7169 57.5056 26.3031 175.9049 61 G 4.0252 8.5089 105.3348 45.3010 0.0000 173.7734 62 K 4.7165 7.7961 119.1836 54.2720 35.1274 175.3492 63 L 3.6532 8.3201 126.4205 54.5751 42.4751 175.6215 64 E 4.4395 8.5882 126.7200 54.6954 32.3560 175.4393 65 Q 4.3838 8.1179 122.4701 54.6505 31.6666 173.8302 66 E 4.6867 8.9927 125.6962 54.4185 34.0974 175.0557 67 Y 4.9348 8.3777 120.1938 58.5213 39.0718 174.7529 68 E 4.9453 9.4608 121.7711 55.3460 35.3850 173.8483 69 V 4.6864 8.9241 121.4887 61.4662 33.7295 174.2180 70 Q 4.7457 8.8753 129.7605 55.2750 30.3087 174.2941 71 L 5.1469 9.4182 126.5994 52.9655 45.2901 175.6581 72 L 5.0095 8.6714 121.5652 53.2038 45.0950 175.6298 73 F 4.7831 9.5237 124.7475 56.1615 40.7270 175.4135 74 K 4.9505 9.2391 125.1322 55.5663 33.4337 175.3235 75 S 4.3143 8.7437 122.2402 57.4894 66.0515 172.0679 76 N 5.5711 8.6452 114.1107 51.0034 40.7642 175.0696 77 T 3.9088 8.4953 108.8946 64.8940 68.7981 176.3839 78 D 4.3375 8.0555 121.0803 56.7639 41.0573 176.8373 79 H 4.7488 8.2055 114.2413 55.4783 29.5790 175.8302 80 Q 3.9274 7.9690 122.2423 59.4501 28.7851 178.2147 81 Q 3.9303 8.0218 119.5847 59.1675 29.1807 177.9209 82 A 3.9966 7.9600 121.2729 55.0010 18.3509 179.2047 83 L 3.8322 8.0802 118.7669 58.2580 42.2079 179.0487 84 L 3.9028 7.8923 118.8409 58.2751 41.6632 179.7952 85 T 3.8627 8.0723 115.5378 66.6165 68.1408 176.1256 86 Y 3.8635 7.9394 120.3600 60.7274 39.1011 177.8585 87 I 3.8740 8.0069 120.8366 64.3737 37.0123 178.0477 88 K 3.7791 7.8362 118.9655 59.7274 32.0427 177.9086 89 Q 4.2404 7.6125 114.6880 56.4996 29.5304 175.3711 90 H 4.8575 8.1406 117.4235 55.6670 29.7867 172.7634 91 H 4.8779 7.9085 117.2221 53.2726 32.9795 171.2668 92 P 4.3337 0.0000 0.0000 65.5793 31.3836 176.4948 93 Y 4.7375 7.7367 115.1401 57.0291 38.9626 175.2558 94 Q 4.1735 8.7362 123.5516 58.7762 29.8202 176.5761 95 T 4.6738 7.4404 112.8490 60.9754 68.6116 171.6155 96 P 4.4960 0.0000 0.0000 61.9247 33.0221 176.7821 97 E 4.0543 8.6299 121.4816 56.6597 30.7419 175.6931 98 L 4.7426 8.4667 126.5206 53.5344 45.0216 175.2543 99 L 4.7242 8.8269 124.3982 52.7200 45.2249 176.0911 100 V 4.3748 8.5434 124.5919 61.8916 32.4743 174.8590 101 L 4.7699 8.9438 129.4524 52.7581 43.3280 174.7034 102 P 4.7797 0.0000 0.0000 62.6021 32.7152 175.5241 103 V 4.4611 8.2303 121.3953 61.3241 32.6605 175.6640 104 R 4.1936 8.8608 124.6012 58.5725 30.1320 175.6304 105 D 4.5520 7.3749 115.5861 53.8103 44.6485 173.7392 106 G 4.0413 7.9393 108.0889 43.7068 0.0000 173.3319 107 D 4.4833 8.2924 118.9714 53.8397 42.6895 176.8972 108 K 4.0145 8.7255 126.5397 60.3800 32.6786 179.1142 109 D 4.3927 8.2021 119.6916 57.0889 40.7627 177.9891 110 Y 4.1116 8.6818 120.2013 60.8384 38.8368 177.9288 111 L 3.9888 8.4301 120.2697 57.7960 41.6510 179.4867 112 S 4.0617 8.3003 113.1555 61.0358 62.2258 176.0670 113 W 4.0162 8.1235 131.0132 60.2524 30.2499 177.5409 114 L 3.1000 7.7505 119.2386 58.1055 41.6908 178.3909 115 N 4.3182 8.2736 116.3760 56.2646 38.2935 177.2575 116 A 4.0068 7.7609 120.4655 54.4482 18.4994 179.1356 117 S 3.9912 6.9913 112.1942 59.0704 63.2377 174.5662 118 L 4.2975 6.4641 121.0382 52.9581 42.6059 176.5369 119 L 4.0550 8.0245 121.6970 55.7782 41.8960 176.9598 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 16 S 8.32 4.40 0.00 4.08 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 17 N 8.39 4.64 0.00 2.92 2.94 0.00 0.00 6.11 6.60 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 18 A 8.36 4.86 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 19 I 8.76 4.85 1.91 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 1.25 0.76 0.99 0.00 0.00 20 V 8.77 4.86 2.14 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 1.05 0.00 0.00 1.00 0.00 0.00 21 V 9.08 4.79 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 0.99 0.00 0.00 0.96 0.00 0.00 22 L 8.99 5.13 0.00 1.67 1.78 0.96 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 23 C 8.89 5.68 0.00 3.10 3.08 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 24 T 8.70 5.38 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 1.36 0.00 0.00 25 A 8.70 4.58 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 26 P 0.00 4.57 0.00 2.23 2.36 0.00 3.39 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.76 0.00 27 D 7.40 4.65 0.00 2.81 2.78 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 28 E 8.67 3.93 0.00 2.01 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 2.37 2.35 0.00 29 A 7.97 3.98 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 30 S 8.72 4.07 0.00 3.92 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 31 A 7.89 3.95 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 32 Q 8.36 3.90 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 33 N 8.13 4.32 0.00 2.88 2.89 0.00 0.00 6.70 6.78 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 34 L 8.09 4.03 0.00 1.86 1.96 1.11 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.26 4.09 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 36 A 8.33 3.94 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 37 Q 8.22 3.91 0.00 2.45 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.72 0.00 0.00 0.00 0.00 0.00 2.46 2.60 0.00 38 V 8.10 3.17 2.48 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 1.12 0.00 0.00 1.05 0.00 0.00 39 L 8.34 4.08 0.00 1.76 1.68 0.98 1.22 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 G 8.00 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 41 E 7.79 4.08 0.00 1.69 1.70 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 2.13 1.47 0.00 42 K 7.79 3.71 0.00 1.88 1.82 0.00 1.58 0.00 0.00 1.56 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.26 1.31 7.81 43 L 7.70 4.46 0.00 1.47 1.60 0.71 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.30 4.58 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 45 A 8.79 4.11 0.75 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 46 C 7.87 4.83 0.00 3.40 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 47 V 8.39 4.62 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 -0.04 0.00 0.00 0.91 0.00 0.00 48 T 8.63 4.55 4.20 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 1.18 0.00 0.00 49 L 8.44 4.88 0.00 1.44 1.53 0.78 0.94 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 50 L 8.98 4.71 0.00 1.58 1.58 0.93 0.87 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 51 P 0.00 4.56 0.00 2.05 2.04 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 1.96 1.95 0.00 52 G 8.75 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 53 A 7.78 4.50 1.34 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 0.00 0.00 54 T 8.41 5.05 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 1.12 0.00 0.00 55 S 9.47 4.95 0.00 3.91 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 56 L 8.42 5.46 0.00 1.45 1.42 0.89 0.87 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 57 Y 7.24 4.71 0.00 3.16 3.05 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 58 Y 8.96 4.81 0.00 2.99 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 0.00 59 W 9.03 5.00 0.00 3.64 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 0.00 60 E 9.23 3.73 0.00 2.08 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 1.86 1.47 0.00 61 G 8.51 4.03 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 62 K 7.80 4.72 0.00 1.85 1.69 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.52 7.81 63 L 8.32 3.65 0.00 0.70 1.28 0.36 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.59 4.44 0.00 1.16 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 2.25 2.32 0.00 65 Q 8.12 4.38 0.00 1.80 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.75 0.00 0.00 0.00 0.00 0.00 2.00 2.22 0.00 66 E 8.99 4.69 0.00 1.98 1.82 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 2.12 2.45 0.00 67 Y 8.38 4.93 0.00 2.94 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 68 E 9.46 4.95 0.00 1.95 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 2.40 2.39 0.00 69 V 8.92 4.69 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 0.95 0.00 0.00 0.93 0.00 0.00 70 Q 8.88 4.75 0.00 2.27 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.51 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 71 L 9.42 5.15 0.00 1.78 1.19 1.01 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.67 5.01 0.00 1.50 1.57 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 73 F 9.52 4.78 0.00 2.92 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.24 4.95 0.00 1.94 1.94 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.46 7.81 75 S 8.74 4.31 0.00 3.91 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 76 N 8.65 5.57 0.00 3.08 2.84 0.00 0.00 5.73 7.22 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 77 T 8.50 3.91 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 1.32 0.00 0.00 78 D 8.06 4.34 0.00 2.91 2.64 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 79 H 8.21 4.75 0.00 3.20 3.25 0.00 5.82 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Q 7.97 3.93 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 81 Q 8.02 3.93 0.00 2.19 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.67 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 82 A 7.96 4.00 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 83 L 8.08 3.83 0.00 1.91 1.85 0.70 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.89 3.90 0.00 1.87 1.69 0.91 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 85 T 8.07 3.86 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 1.22 0.00 0.00 86 Y 7.94 3.86 0.00 3.06 3.07 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 0.00 0.00 0.00 87 I 8.01 3.87 1.76 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 1.17 0.40 0.90 0.00 0.00 88 K 7.84 3.78 0.00 1.82 2.02 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.12 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.53 7.81 89 Q 7.61 4.24 0.00 1.87 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.18 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 90 H 8.14 4.86 0.00 2.91 3.27 0.00 5.79 0.00 0.00 0.00 0.00 8.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 H 7.91 4.88 0.00 3.29 3.23 0.00 5.74 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.33 0.00 2.04 2.06 0.00 3.16 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.72 0.00 93 Y 7.74 4.74 0.00 2.93 2.64 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 94 Q 8.74 4.17 0.00 2.05 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.32 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 95 T 7.44 4.67 4.34 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 1.28 0.00 0.00 96 P 0.00 4.50 0.00 1.96 1.48 0.00 3.82 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.85 0.00 97 E 8.63 4.05 0.00 2.08 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 2.58 2.37 0.00 98 L 8.47 4.74 0.00 1.50 1.53 0.93 0.88 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 99 L 8.83 4.72 0.00 1.60 1.55 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 100 V 8.54 4.37 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 0.87 0.00 0.00 0.94 0.00 0.00 101 L 8.94 4.77 0.00 1.72 1.59 0.96 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 102 P 0.00 4.78 0.00 2.09 2.06 0.00 3.74 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 2.00 1.98 0.00 103 V 8.23 4.46 2.21 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 0.93 0.00 0.00 0.99 0.00 0.00 104 R 8.86 4.19 0.00 1.97 2.06 0.00 3.14 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 105 D 7.37 4.55 0.00 2.66 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 0.00 106 G 7.94 4.04 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 0.00 0.00 0.00 107 D 8.29 4.48 0.00 2.84 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 0.00 108 K 8.73 4.01 0.00 2.05 2.09 0.00 1.59 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.57 7.81 109 D 8.20 4.39 0.00 3.00 2.82 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 0.00 110 Y 8.68 4.11 0.00 3.12 3.21 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 0.00 111 L 8.43 3.99 0.00 1.78 1.74 1.02 1.09 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 0.00 112 S 8.30 4.06 0.00 3.98 4.09 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 0.00 0.00 0.00 0.00 113 W 8.12 4.02 0.00 3.40 3.21 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 0.00 114 L 7.75 3.10 0.00 1.31 1.63 1.05 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 115 N 8.27 4.32 0.00 2.67 2.78 0.00 0.00 6.99 7.11 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 0.00 116 A 7.76 4.01 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 0.00 117 S 6.99 3.99 0.00 3.25 3.39 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 0.00 118 L 6.46 4.30 0.00 1.43 0.91 0.77 1.17 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 0.00 119 L 8.02 4.06 0.00 1.67 1.63 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00