NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *12 W 4.6607 8.1327 121.3297 55.2777 30.9371 176.1508 13 L 3.8515 8.0661 121.8336 58.8075 41.3988 175.2818 14 E 4.2283 8.3756 118.9252 58.5436 29.9577 178.2978 15 G 3.5976 7.8835 105.9837 47.6152 0.0000 175.7348 16 I 3.9524 9.5774 115.7198 63.4360 37.6255 178.4112 17 R 4.3165 7.9764 120.0629 59.3559 29.8949 178.9299 18 K 3.2649 7.6139 118.5985 58.6165 31.9681 178.7405 19 W 3.9839 7.8735 128.9100 60.4879 30.6362 177.2336 20 Y 3.1596 9.1654 120.6693 60.6654 38.1080 177.2082 21 Y 3.7787 8.4485 120.6846 61.0933 38.5686 178.1676 22 N 4.0751 7.5726 115.4097 55.7696 38.7051 177.1143 23 A 3.5831 6.9609 121.5123 54.5620 18.3412 178.9689 24 A 3.5993 7.3087 119.2124 54.2056 18.6617 179.0954 25 G 3.5652 6.9015 103.6964 46.9631 0.0000 175.4107 26 F 4.1977 6.7151 116.7423 59.1214 37.7694 176.9791 27 N 4.5549 7.0202 117.5425 55.6991 37.1265 176.9843 28 K 2.9176 7.2979 120.2000 57.7119 31.7018 178.0130 29 L 4.5515 7.3592 117.6180 53.8617 41.9569 177.2170 30 G 3.9863 7.9593 107.2211 45.5988 0.0000 174.0843 31 L 4.5230 7.6354 118.5132 54.3128 42.8257 175.9642 32 M 4.9091 9.2588 120.4049 53.5352 34.6171 177.2380 33 R 3.0446 9.4092 121.8692 59.9805 29.8144 178.7949 34 D 4.2157 7.9834 117.1644 56.9099 40.4736 178.1123 35 D 4.5845 8.1372 119.2126 56.4052 40.9063 177.5197 36 T 4.1938 7.2898 108.3578 60.6122 69.6520 174.9292 37 I 3.6965 6.5054 121.1851 61.1905 38.6260 174.7036 38 H 4.2898 8.5400 126.1590 55.8587 30.1816 174.7212 39 E 4.1148 8.6036 127.1741 55.8887 29.0477 175.2165 40 N 5.0520 8.0770 122.8116 50.7012 40.4315 174.8576 41 D 4.3307 8.5588 116.4181 57.7121 40.6672 178.6010 42 D 4.3129 8.0980 119.0189 57.4094 40.8913 178.7255 43 V 3.6115 8.4057 119.0339 65.9662 31.5057 178.1432 44 K 3.9533 8.3317 118.5080 59.4841 32.0074 178.9554 45 E 3.9533 8.3169 119.4145 59.1487 29.3206 178.7369 46 A 4.1035 7.8459 120.0860 55.2335 18.8708 179.3934 47 I 3.8583 8.1368 118.6939 64.4860 36.9494 178.6631 48 R 3.9475 7.9179 118.7441 59.1352 29.9794 178.1397 49 R 4.1264 7.5514 115.5507 56.4119 30.7139 176.9908 50 L 3.4651 6.7659 119.1425 53.5367 42.4534 175.9172 51 P 4.4381 0.0000 0.0000 62.5493 33.4364 177.3433 52 E 3.9072 8.6616 120.3433 59.8066 29.5115 179.6962 53 N 4.3486 8.1699 116.2796 56.1875 37.3844 177.0157 54 L 3.8420 7.8238 121.0113 57.2686 41.7523 178.7230 55 Y 3.8268 8.0710 119.5324 60.7992 38.8163 177.7478 56 D 4.4342 8.7402 120.2794 57.4107 40.8203 178.5149 57 D 4.3595 8.1776 119.4463 57.2512 40.8106 178.6997 58 R 3.6922 7.6811 119.1296 59.3524 29.9713 178.5121 59 V 3.3915 7.4665 117.8908 66.0709 31.4737 177.7795 60 F 4.0550 8.2499 120.1593 61.2987 39.1670 177.2685 61 R 3.8073 8.2627 117.9659 59.2424 29.8120 179.1563 62 I 3.6025 7.7687 119.6082 64.1143 37.0949 178.3932 63 K 3.8070 8.0217 120.6686 59.4473 32.0349 178.8129 64 R 3.5889 7.8150 119.1085 59.2118 29.8420 178.4048 65 A 3.9408 8.0440 120.7486 55.0575 18.3912 179.6254 66 L 3.8809 8.2614 118.0291 57.8000 41.4862 179.2623 67 D 4.2882 8.0637 118.0916 57.3189 41.1267 178.3441 68 L 3.9788 7.8233 119.4994 57.8106 41.5974 179.3954 69 S 4.0680 8.2441 113.2643 61.5924 62.0679 175.9445 70 M 4.0914 7.9830 120.0514 57.9227 32.0549 177.3960 71 R 4.3315 7.4522 115.6117 54.8566 30.8978 175.9556 72 Q 3.4097 7.7832 116.8314 57.3689 26.9264 172.8856 73 Q 4.9406 8.2892 114.6219 54.0298 32.6093 174.9089 74 I 4.7779 7.9910 112.4846 59.1152 41.0654 174.8847 75 L 4.5068 8.5992 122.6936 53.5358 42.6221 175.7201 76 P 4.3945 0.0000 0.0000 62.2899 32.2072 177.6018 77 K 2.0000 8.4768 122.9631 58.7944 31.8689 178.4030 78 E 3.9594 7.7842 114.7753 58.2354 29.6363 177.1646 79 Q 4.5025 7.8563 117.5701 55.4092 29.4071 175.9683 80 W 4.7497 7.6628 118.9235 56.5649 29.6820 176.3184 81 T 4.1317 8.6120 118.8039 63.8611 68.7270 173.9470 82 K 4.5846 8.6051 125.1109 55.1274 33.6581 176.5092 83 Y 3.0391 8.9237 125.2973 60.6818 38.4964 178.4985 84 E 3.7299 8.1438 116.1788 58.2618 29.6739 177.3514 85 E 4.4133 7.7483 116.4921 56.0202 30.6416 175.7182 86 D 4.5526 7.5178 119.8711 53.9785 41.6674 175.3928 87 K 4.6091 8.3531 124.6364 54.5402 35.8949 176.5385 88 S 4.5066 8.4192 116.5219 57.4202 60.9989 173.3037 89 Y 4.3870 8.0234 126.0522 58.9646 38.6434 177.6933 90 L 4.3003 7.3869 122.1441 57.0297 42.0098 177.8755 91 E 3.8883 7.9195 119.9237 59.0491 29.3052 177.2367 92 P 4.1105 0.0000 0.0000 65.9981 31.1046 177.9850 93 Y 4.1031 7.6998 115.8656 60.8449 38.0335 177.6029 94 L 4.0145 8.2102 121.3841 58.0235 42.1777 178.8102 95 K 3.9127 8.3229 119.8431 59.4757 31.9885 178.4346 96 E 3.9377 7.8876 118.2771 59.0694 29.5975 178.7762 97 V 3.6028 7.8703 118.3713 66.2039 31.4878 178.1344 98 I 3.7537 7.9639 119.5249 64.2314 36.8370 178.3898 99 R 3.8894 7.9253 119.6177 59.4856 29.9211 178.4430 100 E 3.9572 8.4833 118.6778 59.4246 29.3766 179.3821 101 R 3.9077 8.0864 118.7265 59.2300 30.1060 178.6035 102 K 3.9353 8.3540 118.6518 59.5053 32.1205 178.6550 103 E 4.0443 8.4186 119.6070 59.6391 29.5326 179.1818 104 R 4.0381 8.0863 117.8798 59.3875 29.9007 178.9297 105 E 4.0695 8.2928 117.6967 59.2620 29.6271 179.0643 106 E 4.1161 8.7091 119.0587 59.4392 29.4209 179.3075 107 W 4.0081 8.2546 117.1537 59.7639 29.2044 177.9531 108 A 4.4523 8.0839 118.7983 52.8901 18.5902 178.6587 109 K 4.1816 8.0222 117.9706 55.2634 31.3878 176.4939 110 K 4.1248 8.3490 123.4553 56.6702 33.1968 174.8203 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 *12 W 8.13 4.66 0.00 2.44 2.34 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 13 L 8.07 3.85 0.00 1.84 1.74 0.93 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.38 4.23 0.00 2.17 1.96 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 2.44 2.52 0.00 15 G 7.88 3.60 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 0.00 16 I 9.58 3.95 2.01 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 1.74 0.92 0.88 0.00 0.00 17 R 7.98 4.32 0.00 2.06 2.05 0.00 3.59 0.00 0.00 3.29 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.92 0.00 18 K 7.61 3.26 0.00 1.15 1.62 0.00 1.72 0.00 0.00 1.56 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.22 7.81 19 W 7.87 3.98 0.00 3.46 3.41 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 20 Y 9.17 3.16 0.00 3.28 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 21 Y 8.45 3.78 0.00 3.19 2.99 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 22 N 7.57 4.08 0.00 2.64 2.71 0.00 0.00 7.05 8.59 0.00 0.00 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 A 6.96 3.58 0.25 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 24 A 7.31 3.60 0.67 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 25 G 6.90 3.57 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 0.00 0.00 0.00 26 F 6.72 4.20 0.00 3.15 3.19 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 27 N 7.02 4.55 0.00 3.30 2.76 0.00 0.00 6.30 6.47 0.00 0.00 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 K 7.30 2.92 0.00 1.43 1.22 0.00 1.07 0.00 0.00 0.97 0.00 0.00 2.13 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.30 0.28 7.81 29 L 7.36 4.55 0.00 1.71 1.64 0.86 0.88 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 30 G 7.96 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 31 L 7.64 4.52 0.00 1.91 1.61 0.90 0.91 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 32 M 9.26 4.91 0.00 2.32 2.25 0.00 0.00 0.00 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.60 0.00 33 R 9.41 3.04 0.00 2.09 2.03 0.00 3.22 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.94 0.00 34 D 7.98 4.22 0.00 2.10 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 0.00 0.00 0.00 0.00 35 D 8.14 4.58 0.00 2.69 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 36 T 7.29 4.19 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 0.69 0.00 0.00 37 I 6.51 3.70 1.78 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 1.16 0.78 0.91 0.00 0.00 38 H 8.54 4.29 0.00 3.09 3.20 0.00 5.97 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.60 4.11 0.00 1.93 1.85 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 2.28 2.25 0.00 40 N 8.08 5.05 0.00 2.90 2.91 0.00 0.00 6.19 8.07 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 41 D 8.56 4.33 0.00 2.71 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 42 D 8.10 4.31 0.00 2.84 2.72 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 43 V 8.41 3.61 2.26 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 1.10 0.00 0.00 0.97 0.00 0.00 44 K 8.33 3.95 0.00 1.97 1.85 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.60 1.62 7.81 45 E 8.32 3.95 0.00 2.18 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 2.32 2.40 0.00 46 A 7.85 4.10 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.14 3.86 2.07 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 1.46 1.16 1.06 0.00 0.00 48 R 7.92 3.95 0.00 1.98 2.13 0.00 3.23 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 49 R 7.55 4.13 0.00 2.03 2.04 0.00 3.32 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.90 0.00 50 L 6.77 3.47 0.00 1.75 1.51 1.03 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.44 0.00 2.42 2.22 0.00 3.49 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 52 E 8.66 3.91 0.00 2.00 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 2.37 2.34 0.00 53 N 8.17 4.35 0.00 2.90 3.08 0.00 0.00 6.15 6.67 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 54 L 7.82 3.84 0.00 1.79 1.61 1.10 0.71 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 55 Y 8.07 3.83 0.00 3.00 3.06 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 56 D 8.74 4.43 0.00 2.72 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 57 D 8.18 4.36 0.00 2.71 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 58 R 7.68 3.69 0.00 1.64 1.84 0.00 3.04 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.63 0.00 59 V 7.47 3.39 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 1.02 0.00 0.00 0.52 0.00 0.00 60 F 8.25 4.06 0.00 3.18 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 61 R 8.26 3.81 0.00 1.84 1.94 0.00 3.42 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.87 0.00 62 I 7.77 3.60 1.89 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 1.34 0.64 0.84 0.00 0.00 63 K 8.02 3.81 0.00 1.82 1.66 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.35 1.38 7.81 64 R 7.82 3.59 0.00 1.02 1.69 0.00 3.19 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 65 A 8.04 3.94 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 66 L 8.26 3.88 0.00 1.73 1.68 0.87 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.06 4.29 0.00 2.83 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 68 L 7.82 3.98 0.00 1.88 1.90 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 69 S 8.24 4.07 0.00 3.84 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 70 M 7.98 4.09 0.00 2.19 2.06 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.57 0.00 71 R 7.45 4.33 0.00 1.77 1.94 0.00 3.37 0.00 0.00 3.22 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.77 0.00 72 Q 7.78 3.41 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.68 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 73 Q 8.29 4.94 0.00 1.86 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.71 0.00 0.00 0.00 0.00 0.00 2.28 2.45 0.00 74 I 7.99 4.78 1.98 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.80 0.83 0.00 0.00 75 L 8.60 4.51 0.00 1.95 1.82 1.07 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.39 0.00 2.15 1.99 0.00 3.80 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 2.13 2.10 0.00 77 K 8.48 2.00 0.00 0.92 1.26 0.00 1.01 0.00 0.00 1.45 0.00 0.00 2.73 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.78 0.21 7.81 78 E 7.78 3.96 0.00 2.05 1.97 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 2.21 2.22 0.00 79 Q 7.86 4.50 0.00 2.29 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.90 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 80 W 7.66 4.75 0.00 3.38 3.06 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 81 T 8.61 4.13 4.51 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 82 K 8.61 4.58 0.00 1.87 1.78 0.00 1.74 0.00 0.00 1.79 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.59 1.50 7.81 83 Y 8.92 3.04 0.00 2.60 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 84 E 8.14 3.73 0.00 1.96 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 2.37 2.49 0.00 85 E 7.75 4.41 0.00 1.97 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 2.26 2.22 0.00 86 D 7.52 4.55 0.00 2.81 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 87 K 8.35 4.61 0.00 1.79 1.68 0.00 1.79 0.00 0.00 1.59 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.34 7.81 88 S 8.42 4.51 0.00 3.79 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 89 Y 8.02 4.39 0.00 3.18 3.15 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 90 L 7.39 4.30 0.00 1.15 1.52 0.99 0.77 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 91 E 7.92 3.89 0.00 2.06 1.93 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 2.29 2.33 0.00 92 P 0.00 4.11 0.00 1.86 2.13 0.00 3.80 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.94 0.00 93 Y 7.70 4.10 0.00 3.21 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 94 L 8.21 4.01 0.00 1.79 1.68 0.93 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 95 K 8.32 3.91 0.00 1.89 1.83 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.44 7.81 96 E 7.89 3.94 0.00 2.14 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 0.00 2.31 2.37 0.00 97 V 7.87 3.60 2.26 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 1.00 0.00 0.00 1.05 0.00 0.00 98 I 7.96 3.75 2.02 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 1.42 0.76 0.92 0.00 0.00 99 R 7.93 3.89 0.00 2.11 2.07 0.00 3.11 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 100 E 8.48 3.96 0.00 2.22 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 2.44 0.00 101 R 8.09 3.91 0.00 1.91 2.07 0.00 3.22 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 102 K 8.35 3.94 0.00 1.98 1.88 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.71 1.61 7.81 103 E 8.42 4.04 0.00 2.16 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 0.00 2.48 2.59 0.00 104 R 8.09 4.04 0.00 2.10 1.99 0.00 3.16 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.92 0.00 105 E 8.29 4.07 0.00 2.11 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 2.38 2.61 0.00 106 E 8.71 4.12 0.00 2.18 1.96 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 2.52 2.51 0.00 107 W 8.25 4.01 0.00 3.40 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 0.00 108 A 8.08 4.45 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 0.00 109 K 8.02 4.18 0.00 1.79 1.77 0.00 1.85 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.60 7.81 110 K 8.35 4.12 0.00 1.81 1.69 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.27 1.42 7.81 * Residues marked with a * may have inaccurate shift predictions.