NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 K 4.0928 8.2993 119.9487 56.0725 34.6444 176.0011 21 N 3.8776 7.3152 116.6558 51.6441 38.2156 172.4889 22 R 5.1106 8.7444 118.9846 55.5281 33.1771 176.9055 23 I 4.7117 9.1069 124.0249 59.6838 40.4345 174.3026 24 Q 4.9619 8.9250 126.0950 54.1374 30.6846 175.2694 25 V 4.1267 8.4650 125.7807 61.8973 31.5378 175.8961 26 S 4.5251 8.7789 119.2186 58.0751 66.6115 173.2742 27 N 4.7236 8.0045 121.4098 52.2670 38.6493 175.3996 28 T 4.2056 8.4318 116.2812 63.3788 69.2316 175.6533 29 K 4.1174 8.4895 121.9043 58.3852 32.4099 177.5560 30 K 4.0537 7.5432 118.6360 54.8647 32.9275 175.2483 31 P 4.4893 0.0000 0.0000 62.1137 32.6579 176.8551 32 L 4.2120 8.7440 121.6039 58.9038 41.8666 179.5115 33 F 4.6146 8.2073 116.4219 59.7401 38.8014 177.0551 34 F 4.0335 8.1524 120.9577 61.7411 39.0584 176.7906 35 Y 3.9574 7.7764 115.5924 60.7341 37.7271 178.2991 36 V 3.5260 7.8148 118.9035 66.1717 31.6058 177.9431 37 N 4.1296 8.1352 116.3289 56.0191 38.2267 177.2172 38 L 3.4377 7.6043 121.5688 57.8044 41.8322 178.8360 39 A 3.9260 7.6756 119.7312 55.0717 18.3724 179.4596 40 K 4.2280 7.8198 115.9422 59.5584 32.4238 179.1853 41 R 4.1300 8.1148 119.2186 59.5811 29.9023 179.3942 42 Y 4.7885 7.9785 115.1579 58.5055 37.5682 177.9376 *44 Q 4.1337 8.0279 122.5072 56.2934 30.9102 176.2842 45 Q 3.9125 8.1039 115.6041 58.0639 28.7397 176.3592 46 Y 4.6972 7.8211 111.8026 56.7584 39.9070 175.2556 47 N 4.7262 8.5624 119.8073 53.0187 38.9489 172.9185 48 D 5.4834 7.6281 114.3740 51.4644 43.0147 174.4497 49 V 4.7642 8.4749 117.5369 60.3494 35.3496 173.0053 50 E 5.1072 9.2469 124.1499 54.5437 32.0775 174.3027 51 L 5.4179 9.1895 127.3963 53.1045 44.4653 175.7232 52 S 5.5776 9.2743 116.7065 56.2175 67.1131 172.5609 53 A 4.7212 8.1677 119.7394 51.3820 22.1695 175.0926 54 L 4.9730 8.5563 119.1282 53.9281 44.3132 177.5986 55 G 3.8432 8.9031 112.4674 47.5915 0.0000 175.5356 *57 A 4.3072 7.5920 119.8722 51.2707 20.6390 178.2919 58 I 3.6700 7.7716 117.1397 64.2812 37.0592 178.0991 59 A 3.9889 7.9688 121.0819 55.3293 18.1199 179.6051 60 T 3.7817 7.8008 113.6988 66.8370 68.6195 176.7863 61 V 3.5094 7.4109 120.1099 65.9387 31.5054 177.9794 62 V 3.5958 8.0504 118.2958 66.5378 31.2484 178.2262 63 T 3.9127 8.0145 115.2650 66.5023 68.3321 176.9166 64 V 3.6304 8.1523 120.5858 66.4365 31.5419 178.2351 65 T 3.9224 8.0868 115.3446 66.6542 68.2168 176.5032 66 E 4.0093 8.4039 120.5489 59.4123 29.4844 179.4054 67 I 3.7493 7.9761 119.8285 64.6410 37.2774 178.6095 68 L 4.2486 8.1018 119.5778 57.5035 41.3445 179.9199 69 K 4.0180 8.2898 118.5982 59.7324 31.9670 179.2615 70 N 4.4374 8.4211 115.5025 55.7075 38.5056 176.2133 71 N 4.8005 8.1578 115.3307 52.7679 39.1643 175.8172 72 G 3.8608 7.7996 108.8108 45.0562 0.0000 174.5711 73 F 4.6251 8.3957 119.4545 59.4227 40.0898 175.3828 74 A 5.3176 8.0717 117.5854 50.1963 22.7326 175.5261 75 V 4.5512 8.6198 118.8250 60.7815 34.6420 174.9770 76 E 4.5494 8.9646 125.7500 56.5068 29.9726 176.1227 77 K 4.4890 8.8371 122.5896 57.3956 34.9842 176.4486 78 K 4.5933 7.6745 119.9782 55.3640 35.5040 174.7708 79 I 5.2656 8.0902 126.5078 58.5642 41.5410 174.8627 *81 T 4.2833 8.3154 119.2044 63.6799 69.4922 173.6645 82 S 4.6863 8.7141 119.4627 57.3737 67.1951 172.7811 83 I 4.8039 8.2100 121.2807 60.2284 38.1916 175.8356 84 V 4.5748 8.6235 119.7539 59.4974 35.4126 174.4580 85 D 5.1735 8.5815 122.3305 53.7797 42.2314 175.9658 86 I 4.5497 8.8744 123.4605 58.9736 40.2470 175.2839 87 K 4.1900 8.8030 126.7516 56.9332 33.0235 176.6511 88 D 4.4823 8.5882 123.2508 52.5450 42.2942 175.2082 89 D 4.3027 8.8094 125.4886 57.3512 41.1914 178.1440 90 A 4.1157 8.1398 120.2644 55.3850 18.4848 178.7951 91 R 3.8874 8.1475 115.1852 57.7096 30.1570 177.8224 92 G 4.0137 9.8295 104.6673 45.1377 0.0000 172.6730 93 R 4.5826 7.1130 113.4340 54.0948 31.9825 172.7807 94 P 4.6261 0.0000 0.0000 63.0508 32.1408 176.5306 95 V 4.3502 8.5777 115.7775 60.3262 34.2906 174.7337 96 Q 5.1390 8.4834 120.9571 54.3416 30.6814 175.3993 97 K 4.7946 8.8530 121.9005 54.2482 36.8914 175.5571 98 A 4.6292 8.5071 124.3867 51.8388 20.0069 176.3083 99 K 4.9797 9.2671 122.5744 54.5658 35.7377 174.7116 100 I 4.7844 8.5770 126.8779 59.3387 40.8101 174.1059 101 E 4.9946 8.5596 126.1339 54.9246 33.6762 174.1582 102 I 4.9791 9.1003 126.0063 59.7436 40.5780 174.6219 103 T 5.0530 9.1242 124.2284 61.8536 70.7566 173.5865 104 L 5.2277 8.8521 125.9849 53.0044 45.3284 175.9992 105 V 4.9786 8.5841 114.9337 58.9407 35.5585 175.3280 106 K 4.1618 8.5390 122.9115 57.0284 32.5352 177.4337 107 S 4.6802 8.9054 119.6943 57.3854 64.5178 175.0762 108 E 4.1004 8.8629 117.6665 58.4898 29.6687 177.7618 109 K 4.2955 7.8114 118.0214 56.5483 32.9562 177.9952 110 F 4.0217 8.0078 121.1250 61.6427 39.2576 176.4384 111 D 4.6185 8.2466 116.1218 57.5324 41.0791 178.0361 112 E 4.1542 8.1864 118.5344 59.2882 29.5819 179.4473 113 L 4.1902 7.8824 117.6305 54.8684 41.7738 179.1876 *115 A 4.1638 8.0088 121.9195 52.2616 20.4646 179.9034 116 A 3.9844 8.3696 118.3939 54.9424 18.6882 179.6330 117 A 4.0052 7.7864 118.1995 54.8665 18.4132 178.0771 118 N 4.8891 8.0638 111.6108 52.9403 39.3143 174.5123 119 E 3.7990 7.9688 114.6338 58.3126 27.4938 175.2097 120 E 4.6004 7.9170 113.1283 55.6462 31.0909 176.8691 121 K 4.0681 7.9721 120.4753 56.5280 32.9233 176.3903 122 E 4.2850 8.5967 123.2446 56.5492 29.8298 175.9071 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 20 K 8.30 4.09 0.00 1.09 1.73 0.00 0.61 0.00 0.00 1.31 0.00 0.00 2.49 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.02 1.03 7.81 21 N 7.32 3.88 0.00 2.85 2.36 0.00 0.00 6.13 6.77 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 22 R 8.74 5.11 0.00 1.69 1.89 0.00 3.49 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 23 I 9.11 4.71 1.97 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.15 1.10 0.00 0.00 24 Q 8.92 4.96 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.90 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 25 V 8.47 4.13 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 0.32 0.00 0.00 0.33 0.00 0.00 26 S 8.78 4.53 0.00 3.98 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 27 N 8.00 4.72 0.00 2.91 2.81 0.00 0.00 6.81 7.10 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 28 T 8.43 4.21 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 29 K 8.49 4.12 0.00 1.80 1.85 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.39 7.81 30 K 7.54 4.05 0.00 1.75 1.32 0.00 0.61 0.00 0.00 1.28 0.00 0.00 2.55 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.21 0.89 7.81 31 P 0.00 4.49 0.00 2.21 2.14 0.00 3.56 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.94 0.00 32 L 8.74 4.21 0.00 1.84 1.72 1.07 1.08 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 33 F 8.21 4.61 0.00 3.04 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 34 F 8.15 4.03 0.00 3.00 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 35 Y 7.78 3.96 0.00 3.25 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 36 V 7.81 3.53 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 0.75 0.00 0.00 1.03 0.00 0.00 37 N 8.14 4.13 0.00 2.69 2.69 0.00 0.00 6.73 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 38 L 7.60 3.44 0.00 1.06 1.12 0.31 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.68 3.93 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 40 K 7.82 4.23 0.00 1.77 1.83 0.00 1.31 0.00 0.00 1.12 0.00 0.00 2.13 0.00 0.00 2.18 0.00 0.00 0.00 0.00 1.09 1.32 7.81 41 R 8.11 4.13 0.00 1.84 1.91 0.00 3.15 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 42 Y 7.98 4.79 0.00 2.99 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 *44 Q 8.03 4.13 0.00 2.45 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.84 7.10 0.00 0.00 0.00 0.00 0.00 2.29 2.55 0.00 45 Q 8.10 3.91 0.00 1.42 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.46 0.00 0.00 0.00 0.00 0.00 2.20 2.37 0.00 46 Y 7.82 4.70 0.00 3.20 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 47 N 8.56 4.73 0.00 2.96 2.98 0.00 0.00 6.68 8.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 D 7.63 5.48 0.00 2.90 2.59 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 0.00 0.00 0.00 0.00 49 V 8.47 4.76 2.25 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 0.72 0.00 0.00 1.18 0.00 0.00 50 E 9.25 5.11 0.00 2.03 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 2.25 0.00 51 L 9.19 5.42 0.00 1.57 1.52 0.94 0.60 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 52 S 9.27 5.58 0.00 3.87 3.89 0.00 0.00 0.00 0.00 0.00 0.00 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 8.17 4.72 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 54 L 8.56 4.97 0.00 1.51 1.56 0.92 0.92 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 55 G 8.90 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 *57 A 7.59 4.31 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 58 I 7.77 3.67 1.99 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.68 0.90 0.00 0.00 59 A 7.97 3.99 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 60 T 7.80 3.78 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 1.03 0.00 0.00 61 V 7.41 3.51 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 0.98 0.00 0.00 0.84 0.00 0.00 62 V 8.05 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 0.99 0.00 0.00 0.95 0.00 0.00 63 T 8.01 3.91 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 1.27 0.00 0.00 64 V 8.15 3.63 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 1.06 0.00 0.00 1.06 0.00 0.00 65 T 8.09 3.92 4.42 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 1.24 0.00 0.00 66 E 8.40 4.01 0.00 2.18 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 2.35 2.54 0.00 67 I 7.98 3.75 2.12 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.73 0.90 0.00 0.00 68 L 8.10 4.25 0.00 1.78 1.86 0.95 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 69 K 8.29 4.02 0.00 1.98 1.88 0.00 1.87 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.68 1.65 7.81 70 N 8.42 4.44 0.00 2.82 2.92 0.00 0.00 7.09 7.59 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 71 N 8.16 4.80 0.00 3.10 3.01 0.00 0.00 7.25 7.79 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 72 G 7.80 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 73 F 8.40 4.63 0.00 3.25 3.35 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 74 A 8.07 5.32 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 75 V 8.62 4.55 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 1.09 0.00 0.00 0.95 0.00 0.00 76 E 8.96 4.55 0.00 2.03 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 2.28 2.26 0.00 77 K 8.84 4.49 0.00 1.74 1.95 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.34 7.81 78 K 7.67 4.59 0.00 1.83 1.58 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.47 7.81 79 I 8.09 5.27 1.88 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 1.37 1.44 0.91 0.00 0.00 *81 T 8.32 4.28 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 82 S 8.71 4.69 0.00 3.84 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 83 I 8.21 4.80 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.86 0.95 0.00 0.00 84 V 8.62 4.57 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 0.95 0.00 0.00 85 D 8.58 5.17 0.00 2.56 2.59 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 0.00 0.00 0.00 0.00 86 I 8.87 4.55 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.00 0.91 0.00 0.00 87 K 8.80 4.19 0.00 1.64 1.76 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.39 7.81 88 D 8.59 4.48 0.00 2.61 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 89 D 8.81 4.30 0.00 2.70 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 90 A 8.14 4.12 1.29 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 91 R 8.15 3.89 0.00 1.91 2.24 0.00 3.32 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.62 0.00 92 G 9.83 4.01 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 0.00 0.00 0.00 93 R 7.11 4.58 0.00 1.89 1.87 0.00 3.05 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.64 0.00 94 P 0.00 4.63 0.00 1.96 2.10 0.00 3.66 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 95 V 8.58 4.35 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 0.78 0.00 0.00 0.98 0.00 0.00 96 Q 8.48 5.14 0.00 1.91 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 97 K 8.85 4.79 0.00 1.63 1.63 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.50 7.81 98 A 8.51 4.63 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 99 K 9.27 4.98 0.00 1.76 1.61 0.00 1.59 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.47 7.81 100 I 8.58 4.78 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.30 0.90 0.00 0.00 101 E 8.56 4.99 0.00 1.89 1.78 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 2.28 2.32 0.00 102 I 9.10 4.98 1.88 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 1.23 0.70 0.93 0.00 0.00 103 T 9.12 5.05 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 1.26 0.00 0.00 104 L 8.85 5.23 0.00 1.60 1.56 0.96 0.60 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 0.00 105 V 8.58 4.98 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 0.72 0.00 0.00 0.98 0.00 0.00 106 K 8.54 4.16 0.00 1.57 1.61 0.00 1.48 0.00 0.00 1.55 0.00 0.00 2.74 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.30 0.71 7.81 107 S 8.91 4.68 0.00 3.95 4.15 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 0.00 108 E 8.86 4.10 0.00 2.11 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 0.00 2.28 2.33 0.00 109 K 7.81 4.30 0.00 1.85 1.76 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.82 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.36 1.44 7.81 110 F 8.01 4.02 0.00 3.24 3.16 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 0.00 111 D 8.25 4.62 0.00 2.76 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 0.00 112 E 8.19 4.15 0.00 2.12 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 2.39 2.41 0.00 113 L 7.88 4.19 0.00 1.29 1.13 0.41 0.86 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 *115 A 8.01 4.16 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 0.00 116 A 8.37 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 0.00 117 A 7.79 4.01 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 0.00 118 N 8.06 4.89 0.00 2.68 2.79 0.00 0.00 7.17 7.03 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 0.00 119 E 7.97 3.80 0.00 2.07 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 2.25 2.25 0.00 120 E 7.92 4.60 0.00 2.07 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 2.42 2.18 0.00 121 K 7.97 4.07 0.00 1.69 1.69 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.56 7.81 122 E 8.60 4.29 0.00 1.96 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 2.20 2.25 0.00 * Residues marked with a * may have inaccurate shift predictions.