NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 79 T 4.3222 8.1749 115.2449 61.9671 68.7938 173.2220 80 Q 4.5453 7.5827 116.6564 53.1276 32.4694 172.0665 81 E 3.7705 8.9479 121.9907 55.7781 28.7544 178.1136 82 A 4.0707 8.8248 128.6689 54.3805 18.8040 179.2725 83 F 4.3090 8.3655 117.7508 61.4779 39.4649 176.7366 84 D 3.8026 7.4800 116.9003 56.7793 40.7770 178.2819 85 L 4.3006 7.0852 116.6113 54.9477 42.1751 176.8875 86 I 4.4149 8.2742 109.9595 59.4751 39.5467 175.5862 87 S 3.2088 7.2771 116.9538 59.3282 63.1186 174.9233 88 K 4.2429 8.0031 128.7999 54.9471 31.6333 174.0970 89 E 4.6189 7.0726 117.4691 55.3631 32.6068 173.9349 90 N 4.4341 9.7251 122.1439 52.8154 38.9933 173.0153 91 P 4.5587 0.0000 0.0000 61.6080 32.7875 175.8382 92 S 4.4040 9.1903 113.6546 57.9552 63.8440 175.1081 93 S 4.2864 9.0837 117.5992 62.1688 61.8556 176.5853 94 Q 4.0127 8.1950 119.9102 59.7438 29.0125 176.9455 95 Y 4.1104 8.2126 120.5416 60.1962 38.6629 177.7390 96 W 4.3997 8.1617 118.6001 60.3834 29.3911 178.6133 97 K 4.1846 8.5063 119.0677 59.4734 31.8363 177.9617 98 E 3.8288 8.1991 119.5838 59.1891 29.5625 178.5773 99 V 3.4183 7.5550 117.5794 66.1312 31.3978 177.2633 100 A 3.9774 8.3718 120.6924 55.4058 18.0612 179.2327 101 E 3.8302 8.0215 117.2206 59.5346 29.8164 178.7714 102 Q 3.9858 8.1900 118.2161 59.1847 28.7603 179.2391 103 R 3.9201 8.5836 119.0383 59.5844 29.7041 179.1063 104 R 3.7856 8.3425 118.4386 59.2933 29.8377 178.8116 105 K 3.9934 8.3433 118.3011 59.4119 32.1079 178.6242 106 A 3.9906 8.0105 120.9226 55.4515 18.2564 179.1184 107 L 3.9236 8.7836 118.4306 58.6887 42.0555 178.9060 108 Y 3.9903 7.7154 117.9848 60.6867 38.7197 176.9515 109 E 3.9689 8.6129 118.5529 59.6565 29.8643 179.3329 110 A 4.0715 8.4896 120.7614 55.2175 18.7026 179.4050 111 L 3.8230 7.8417 118.6278 58.1916 42.1235 179.2045 112 K 3.8377 7.9640 119.5867 58.9174 31.9903 178.6128 113 E 3.8000 8.2406 119.9272 59.3541 29.6081 178.1945 114 N 4.0562 8.1176 116.1138 56.5829 38.6787 176.4461 115 E 3.9081 8.0466 119.8681 59.2395 29.5332 178.4361 116 K 3.8048 7.9514 119.3999 59.9961 32.1448 178.5350 117 L 4.0032 8.4429 119.2032 57.9676 41.5375 179.0653 118 H 4.2509 8.3311 116.5328 58.6551 28.5898 177.7224 119 K 3.9545 7.9765 121.0508 59.4005 32.0140 178.7884 120 E 3.9296 7.7993 118.5642 59.6913 29.5415 179.3037 121 I 3.9008 7.7903 119.6496 64.2750 36.8290 178.2450 122 E 3.9098 8.0892 120.2273 59.2840 29.5623 178.5905 123 Q 4.0340 8.0949 118.0464 59.2042 28.8647 179.3375 124 K 4.0390 8.6609 119.5111 59.3974 32.0273 179.1702 125 D 4.4281 8.0316 118.6964 56.7537 40.5916 178.7330 126 S 4.0863 7.6606 114.0781 61.1942 62.2636 175.6823 127 E 3.9195 8.0895 120.8504 59.2187 29.5866 178.3798 128 I 3.8240 7.9004 119.6527 64.4508 37.2042 177.9092 129 A 4.0115 7.9800 121.6120 55.2249 18.4857 179.4724 130 R 4.0845 8.4510 112.6002 57.6733 29.3582 177.7594 131 L 4.4065 7.6090 119.8576 57.0029 42.9551 178.4587 132 R 3.9650 8.0258 118.0194 59.2803 29.9709 179.0916 133 K 3.8949 7.8859 118.5839 59.3586 32.4297 178.2092 134 E 3.9060 7.6730 118.2943 59.6548 29.5736 178.6497 135 N 4.3785 8.5902 116.6748 55.9399 38.4795 177.4728 136 K 3.9315 7.8061 120.8057 59.6029 32.3122 178.5885 137 D 4.3982 8.1069 119.1541 57.3619 40.5818 179.0151 138 L 3.9425 8.0458 119.2535 57.7517 41.6492 178.9833 139 A 3.8425 7.9452 120.7757 55.5954 18.1952 179.3241 140 E 4.1745 8.1883 117.4238 59.0524 29.7136 179.2165 141 V 3.5667 8.0835 118.6749 65.9130 31.6651 177.7446 142 A 4.0555 8.8248 121.2837 55.3054 18.1221 179.5966 143 E 3.9421 8.0049 116.6091 59.9895 29.3997 179.2332 144 H 4.1785 8.1422 115.0341 58.6271 28.7791 177.6379 145 V 3.8083 7.7547 119.3166 66.3267 31.5800 177.6705 146 Q 4.2180 8.1461 117.6146 59.0232 28.6660 178.1974 147 Y 4.1235 8.0448 119.5243 58.0308 39.2049 177.1462 *149 A 4.2674 8.0564 123.0728 51.6048 20.8276 179.5934 150 E 3.9887 7.5121 113.9186 58.9093 29.4296 179.3355 151 V 3.3435 7.3271 118.1428 66.1704 31.4067 177.6551 152 I 3.5038 7.5750 117.4016 64.6773 37.0395 176.8887 153 E 4.0207 8.4359 119.5023 60.0484 29.2645 179.0084 154 R 3.9422 7.4701 115.9340 59.1330 31.5367 177.9912 155 L 4.3255 8.0151 118.4547 59.6899 38.6143 177.3338 156 S 4.5785 6.8207 117.8493 60.6953 62.1288 174.6236 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 79 T 8.17 4.32 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 1.22 0.00 0.00 80 Q 7.58 4.55 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.77 6.68 0.00 0.00 0.00 0.00 0.00 2.27 2.43 0.00 81 E 8.95 3.77 0.00 2.20 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 0.00 2.40 2.36 0.00 82 A 8.82 4.07 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 F 8.37 4.31 0.00 3.04 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 84 D 7.48 3.80 0.00 2.71 2.32 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 85 L 7.09 4.30 0.00 1.77 1.62 0.89 0.66 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 86 I 8.27 4.41 1.76 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 1.29 0.46 0.84 0.00 0.00 87 S 7.28 3.21 0.00 3.60 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.00 4.24 0.00 1.66 1.74 0.00 1.80 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.36 7.81 89 E 7.07 4.62 0.00 1.91 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 2.13 2.18 0.00 90 N 9.73 4.43 0.00 2.72 2.83 0.00 0.00 7.24 7.57 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 91 P 0.00 4.56 0.00 1.54 1.43 0.00 4.01 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 1.47 1.21 0.00 92 S 9.19 4.40 0.00 4.07 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 93 S 9.08 4.29 0.00 4.02 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 94 Q 8.19 4.01 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 95 Y 8.21 4.11 0.00 3.12 2.90 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 96 W 8.16 4.40 0.00 3.56 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 97 K 8.51 4.18 0.00 2.00 1.98 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.53 7.81 98 E 8.20 3.83 0.00 2.10 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 2.25 2.29 0.00 99 V 7.56 3.42 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 1.09 0.00 0.00 0.23 0.00 0.00 100 A 8.37 3.98 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 0.00 101 E 8.02 3.83 0.00 2.11 2.15 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 2.29 2.38 0.00 102 Q 8.19 3.99 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.54 0.00 0.00 0.00 0.00 0.00 2.54 2.53 0.00 103 R 8.58 3.92 0.00 1.96 2.01 0.00 3.18 0.00 0.00 3.12 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 104 R 8.34 3.79 0.00 1.91 2.14 0.00 3.07 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 105 K 8.34 3.99 0.00 1.99 1.86 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.41 1.58 7.81 106 A 8.01 3.99 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 0.00 107 L 8.78 3.92 0.00 1.76 1.78 0.93 1.01 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 0.00 108 Y 7.72 3.99 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 0.00 109 E 8.61 3.97 0.00 2.15 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 2.52 2.57 0.00 110 A 8.49 4.07 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 0.00 111 L 7.84 3.82 0.00 1.96 1.58 0.95 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 112 K 7.96 3.84 0.00 1.48 1.75 0.00 1.47 0.00 0.00 1.51 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.23 7.81 113 E 8.24 3.80 0.00 2.04 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 2.27 2.31 0.00 114 N 8.12 4.06 0.00 2.97 2.81 0.00 0.00 6.64 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 0.00 115 E 8.05 3.91 0.00 2.21 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 2.30 2.31 0.00 116 K 7.95 3.80 0.00 1.97 1.95 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.51 7.81 117 L 8.44 4.00 0.00 1.75 1.63 0.88 1.09 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 0.00 118 H 8.33 4.25 0.00 3.33 3.32 0.00 5.64 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 0.00 119 K 7.98 3.95 0.00 1.85 1.90 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.48 7.81 120 E 7.80 3.93 0.00 2.22 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 2.32 2.52 0.00 121 I 7.79 3.90 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 1.41 1.12 0.95 0.00 0.00 122 E 8.09 3.91 0.00 2.13 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 2.30 2.34 0.00 123 Q 8.09 4.03 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 124 K 8.66 4.04 0.00 1.83 1.85 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.48 7.81 125 D 8.03 4.43 0.00 2.94 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 0.00 126 S 7.66 4.09 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 0.00 127 E 8.09 3.92 0.00 2.01 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 2.32 2.35 0.00 128 I 7.90 3.82 2.01 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 1.45 0.57 0.91 0.00 0.00 129 A 7.98 4.01 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 0.00 130 R 8.45 4.08 0.00 2.03 2.19 0.00 2.74 0.00 0.00 3.16 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 131 L 7.61 4.41 0.00 1.97 1.72 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 132 R 8.03 3.97 0.00 1.84 2.00 0.00 3.12 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 133 K 7.89 3.89 0.00 1.93 1.79 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.48 7.81 134 E 7.67 3.91 0.00 2.39 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 2.31 2.36 0.00 135 N 8.59 4.38 0.00 2.89 2.85 0.00 0.00 6.75 6.85 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 0.00 136 K 7.81 3.93 0.00 1.97 1.93 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.47 7.81 137 D 8.11 4.40 0.00 2.87 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 0.00 138 L 8.05 3.94 0.00 1.71 1.71 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 139 A 7.95 3.84 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 0.00 140 E 8.19 4.17 0.00 2.22 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 2.36 2.33 0.00 141 V 8.08 3.57 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 0.97 0.00 0.00 0.97 0.00 0.00 142 A 8.82 4.06 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 0.00 143 E 8.00 3.94 0.00 2.21 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 2.34 2.57 0.00 144 H 8.14 4.18 0.00 3.16 3.43 0.00 5.67 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 V 7.75 3.81 2.27 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 0.85 0.00 0.00 1.00 0.00 0.00 146 Q 8.15 4.22 0.00 2.47 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.92 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 147 Y 8.04 4.12 0.00 3.00 3.11 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 0.00 0.00 0.00 0.00 *149 A 8.06 4.27 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 0.00 150 E 7.51 3.99 0.00 2.10 1.89 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 2.28 2.44 0.00 151 V 7.33 3.34 1.80 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 0.93 0.00 0.00 0.30 0.00 0.00 152 I 7.58 3.50 1.99 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.88 0.88 0.00 0.00 153 E 8.44 4.02 0.00 2.18 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 2.37 0.00 154 R 7.47 3.94 0.00 1.91 1.94 0.00 3.19 0.00 0.00 3.24 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 155 L 8.02 4.33 0.00 1.67 1.70 0.90 1.33 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 0.00 156 S 6.82 4.58 0.00 3.90 3.77 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.