NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 44 I 4.0991 7.8833 120.7873 61.2956 40.1083 176.4482 45 D 4.5155 7.6901 118.0178 54.4218 41.3290 175.0179 46 E 4.0461 7.6200 120.4332 59.2294 30.8166 177.9156 47 C 4.4574 7.9250 114.0426 60.9967 29.6772 175.4382 48 I 3.9300 7.8021 120.6436 63.7649 37.7289 177.3892 49 G 3.9059 7.6360 105.5597 47.3199 0.0000 175.5862 50 L 4.2069 8.5929 121.3513 56.9506 41.5408 179.0077 51 F 4.1917 8.3496 123.4606 61.9980 39.0373 177.8815 52 R 3.0090 7.5794 114.0138 58.3400 28.8655 177.6152 53 A 4.9933 8.0436 124.3990 55.4896 25.3928 179.9308 54 N 4.4041 8.8933 113.7662 55.3833 37.7295 178.7297 55 C 4.1805 7.5932 111.5876 60.5331 29.7884 174.9257 56 F 4.1833 7.9129 121.9128 60.7170 38.6926 177.0112 *57 F 4.3682 8.1818 120.4526 57.3566 38.3624 178.6910 58 R 5.0125 8.4468 118.4361 55.8162 30.7717 175.9284 59 N 5.0860 8.1764 117.4960 53.4610 42.5935 174.4288 *60 F 4.4146 8.1987 121.8708 55.6857 40.7748 171.2325 *66 A 4.3907 8.5591 119.7317 53.5566 20.4143 177.7655 67 D 4.4568 8.1637 118.8556 57.8241 41.2797 179.2591 68 R 4.1049 8.0558 119.8740 60.9715 29.0423 181.0242 69 T 4.2247 7.9337 116.5173 67.8691 68.4490 177.2450 70 L 4.0856 8.5079 127.1716 60.0639 40.9316 181.8964 71 I 4.2534 7.8387 123.4121 65.5729 35.2800 179.7039 *72 Y 4.7976 7.9779 117.7216 56.5868 37.2994 178.2287 73 G 4.2892 8.1769 111.5657 47.2660 0.0000 176.8091 74 T 4.1564 9.0343 119.4670 65.8486 68.3811 179.0171 75 L 4.3294 8.0684 125.1622 60.2826 40.8960 184.1432 *76 F 4.4781 8.0277 121.1270 62.0175 38.1168 181.0907 77 I 3.9801 7.3823 119.7793 65.9937 35.5861 183.9127 78 S 4.6449 7.6414 121.7999 63.8548 62.1800 179.5893 79 E 4.4515 8.1065 119.9402 59.5069 29.8274 178.9688 80 C 5.0787 7.3827 114.6888 59.9062 29.2550 174.5106 81 L 4.3553 7.5858 122.7788 53.4723 43.4275 177.0083 *93 E 3.9328 8.7019 121.5993 56.2035 30.7251 173.6214 94 R 4.5125 8.6807 125.8992 54.4975 30.8080 173.7284 95 Q 4.6971 8.4377 125.7172 53.0555 28.5787 172.4439 96 L 4.3243 7.7188 122.3210 55.6413 42.4861 178.8319 97 N 4.3413 8.0768 115.9236 53.6073 37.4257 180.9698 *137 F 4.5010 8.3567 126.2094 56.5708 38.9701 172.2558 138 R 4.2596 7.7972 126.3524 58.4129 30.7836 180.5369 139 Q 4.0388 8.5384 117.5405 59.3248 28.2662 184.4738 140 E 4.0279 8.3540 116.9711 59.3354 29.8471 180.7649 141 L 4.4348 7.6588 115.3454 54.8550 40.9696 179.5058 142 A 4.4211 8.0910 122.6709 55.3977 21.5161 178.6579 *143 Y 4.3498 8.4852 113.1481 58.1090 36.7371 179.0957 144 R 4.4765 7.8851 121.9863 59.0609 32.1104 182.9866 145 L 3.7699 7.9248 119.5903 57.2246 40.9854 180.9832 146 L 4.0001 7.9590 118.6001 57.3403 40.8955 182.4105 147 S 4.5131 7.6916 114.3745 56.0726 62.4081 178.0876 *159 K 4.5357 8.0850 125.0925 55.8240 34.3247 177.7962 160 W 4.5957 8.7055 118.9673 57.2858 28.2648 176.5712 161 W 5.2118 8.6554 117.6056 56.8751 30.4938 177.7538 162 T 4.2410 8.1684 114.5456 65.7558 68.6258 175.6180 163 C 4.1294 8.0105 116.7493 61.0927 29.9882 175.3845 164 F 4.3056 7.6110 116.7179 57.8086 37.9612 177.3466 165 S 4.2750 8.0571 118.0878 60.4269 62.8996 174.7748 166 K 4.5149 7.8802 121.1496 56.1879 32.1968 176.2661 167 R 4.2386 7.4867 120.2592 53.9726 30.6778 175.1520 168 R 4.0758 8.2544 123.0722 55.8662 30.0110 175.8439 *169 F 4.3120 8.8351 125.5414 57.8534 38.5324 172.3127 170 M 3.1910 8.8926 124.1360 54.6504 29.1926 174.5526 171 N 4.3388 8.1978 114.4671 54.4832 35.8498 178.5335 172 K 4.3073 7.9058 125.2310 55.6198 32.7250 179.0435 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 44 I 7.88 4.10 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.27 0.91 0.00 0.00 45 D 7.69 4.52 0.00 2.87 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.62 4.05 0.00 2.10 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 2.33 2.33 0.00 47 C 7.93 4.46 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 48 I 7.80 3.93 1.85 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.68 0.96 0.00 0.00 49 G 7.64 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 0.00 0.00 0.00 50 L 8.59 4.21 0.00 1.89 1.78 1.04 0.90 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 51 F 8.35 4.19 0.00 3.42 3.40 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 52 R 7.58 3.01 0.00 1.95 1.80 0.00 3.31 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.26 0.00 53 A 8.04 4.99 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 54 N 8.89 4.40 0.00 2.62 2.85 0.00 0.00 6.86 8.21 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 55 C 7.59 4.18 0.00 2.82 2.33 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 56 F 7.91 4.18 0.00 3.12 3.13 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 0.00 0.00 0.00 *57 F 8.18 4.37 0.00 2.25 2.16 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 58 R 8.45 5.01 0.00 1.77 1.76 0.00 3.19 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.17 0.00 59 N 8.18 5.09 0.00 2.63 2.70 0.00 0.00 6.69 7.45 0.00 0.00 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 F 8.20 4.41 0.00 2.23 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 0.00 0.00 0.00 *66 A 8.56 4.39 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 67 D 8.16 4.46 0.00 2.73 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 68 R 8.06 4.10 0.00 1.81 1.95 0.00 3.25 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 1.64 1.31 0.00 69 T 7.93 4.22 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 1.21 0.00 0.00 70 L 8.51 4.09 0.00 1.62 1.67 0.92 0.82 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 71 I 7.84 4.25 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 1.50 0.54 0.91 0.00 0.00 *72 Y 7.98 4.80 0.00 2.27 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 0.00 0.00 0.00 73 G 8.18 4.29 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 0.00 74 T 9.03 4.16 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 75 L 8.07 4.33 0.00 1.65 1.70 0.92 1.10 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 *76 F 8.03 4.48 0.00 2.37 2.23 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.38 3.98 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 1.38 1.10 0.91 0.00 0.00 78 S 7.64 4.64 0.00 3.81 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 79 E 8.11 4.45 0.00 2.08 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 2.26 2.22 0.00 80 C 7.38 5.08 0.00 3.13 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 L 7.59 4.36 0.00 1.77 1.63 0.99 1.03 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 *93 E 8.70 3.93 0.00 2.01 1.81 0.00 0.00 0.00 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 1.88 0.00 94 R 8.68 4.51 0.00 1.80 1.76 0.00 3.17 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.16 0.00 95 Q 8.44 4.70 0.00 2.01 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.92 0.00 0.00 0.00 0.00 0.00 2.16 1.88 0.00 96 L 7.72 4.32 0.00 1.65 1.60 0.92 1.00 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 97 N 8.08 4.34 0.00 2.74 2.68 0.00 0.00 6.53 7.43 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 *137 F 8.36 4.50 0.00 2.32 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 0.00 0.00 0.00 138 R 7.80 4.26 0.00 1.73 1.96 0.00 3.25 0.00 0.00 3.37 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.18 0.00 139 Q 8.54 4.04 0.00 1.97 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.87 0.00 0.00 0.00 0.00 0.00 2.38 1.96 0.00 140 E 8.35 4.03 0.00 1.89 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 2.31 1.88 0.00 141 L 7.66 4.43 0.00 1.63 1.59 0.92 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 142 A 8.09 4.42 1.22 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 0.00 0.00 *143 Y 8.49 4.35 0.00 2.31 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 0.00 0.00 0.00 144 R 7.89 4.48 0.00 1.66 1.90 0.00 3.24 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.39 0.00 145 L 7.92 3.77 0.00 1.66 1.62 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 146 L 7.96 4.00 0.00 1.66 1.62 0.92 0.70 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 0.00 147 S 7.69 4.51 0.00 3.56 3.67 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 *159 K 8.08 4.54 0.00 1.96 2.21 0.00 1.34 0.00 0.00 1.69 0.00 0.00 2.34 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.49 1.54 7.81 160 W 8.71 4.60 0.00 3.31 3.31 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 0.00 161 W 8.66 5.21 0.00 3.52 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 0.00 162 T 8.17 4.24 4.23 0.00 0.00 0.00 0.00 0.00 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 0.00 163 C 8.01 4.13 0.00 2.71 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 0.00 164 F 7.61 4.31 0.00 3.48 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 S 8.06 4.27 0.00 4.06 4.16 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 0.00 166 K 7.88 4.51 0.00 1.70 1.78 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.32 1.42 7.81 167 R 7.49 4.24 0.00 1.52 1.55 0.00 2.74 0.00 0.00 3.08 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.25 0.00 168 R 8.25 4.08 0.00 1.74 1.84 0.00 3.25 0.00 0.00 3.37 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.19 0.00 *169 F 8.84 4.31 0.00 2.20 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 0.00 0.00 0.00 0.00 170 M 8.89 3.19 0.00 2.21 2.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.33 0.00 171 N 8.20 4.34 0.00 2.91 2.76 0.00 0.00 6.52 6.73 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 0.00 172 K 7.91 4.31 0.00 1.76 1.53 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.27 1.21 7.81 * Residues marked with a * may have inaccurate shift predictions.