============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. TRP 12 1.040 62.205-108.067 -77.442 -99.200 -91.000 TRP6 12 1.020 62.490-109.954 -76.040 -99.200 -91.000 TRP 14 1.040 63.671-112.619 -82.154 -99.200 -91.000 TRP6 14 1.020 65.308-113.058 -80.517 -99.200 -91.000 HIS 21 0.900 51.395 -99.853-103.188 -99.200 -91.000 TYR 24 0.840 50.435 -95.780 -93.851 -99.200 -91.000 TRP 25 1.040 55.682 -99.428 -99.329 -99.200 -91.000 TRP6 25 1.020 55.186-101.506-100.346 -99.200 -91.000 HIS 27 0.900 52.954-104.190 -88.039 -99.200 -91.000 PHE 28 1.000 50.640-107.585 -93.825 -99.200 -91.000 HIS 35 0.900 69.007-119.053 -93.968 -99.200 -91.000 TRP 38 1.040 64.640-119.130 -96.191 -99.200 -91.000 TRP6 38 1.020 62.727-119.715 -97.459 -99.200 -91.000 HIS 44 0.900 46.383-114.848 -88.712 -99.200 -91.000 HIS 64 0.900 60.510 -94.980 -81.704 -99.200 -91.000 TYR 66 0.840 54.252 -97.185 -90.233 -99.200 -91.000 TYR 67 0.840 58.322 -92.052 -86.609 -99.200 -91.000 HIS 80 0.900 51.469-127.043 -93.183 -99.200 -91.000 PHE 83 1.000 45.711-120.306 -92.642 -99.200 -91.000 TYR 84 0.840 39.441-121.990 -95.975 -99.200 -91.000 HIS 106 0.900 68.858-102.697 -84.410 -99.200 -91.000 HIS 108 0.900 71.131-111.871 -83.001 -99.200 -91.000 PHE 119 1.000 59.340-123.822 -76.010 -99.200 -91.000 TRP 126 1.040 60.109-112.010 -71.772 -99.200 -91.000 TRP6 126 1.020 59.746-109.923 -70.728 -99.200 -91.000 TRP 130 1.040 56.372-102.023 -84.008 -99.200 -91.000 TRP6 130 1.020 57.742-103.647 -85.047 -99.200 -91.000 PHE 143 1.000 52.330 -95.283 -85.349 -99.200 -91.000 HIS 156 0.900 45.427-130.384 -68.902 -99.200 -91.000 TYR 162 0.840 40.137-120.095 -76.131 -99.200 -91.000 HIS 163 0.900 35.744-127.006 -74.851 -99.200 -91.000 TYR 167 0.840 25.123-121.465 -76.336 -99.200 -91.000 TRP 206 1.040 66.377-114.539 -75.278 -99.200 -91.000 TRP6 206 1.020 64.443-114.249 -73.959 -99.200 -91.000 TRP 214 1.040 43.400-119.450 -82.958 -99.200 -91.000 TRP6 214 1.020 41.345-119.884 -81.852 -99.200 -91.000 TYR 227 0.840 51.123-116.797 -78.498 -99.200 -91.000 TYR 232 0.840 51.591-130.682 -85.204 -99.200 -91.000 TYR 233 0.840 52.506-126.866 -88.205 -99.200 -91.000 TRP 236 1.040 55.604-126.721 -94.400 -99.200 -91.000 TRP6 236 1.020 55.728-124.409 -93.926 -99.200 -91.000 HIS 238 0.900 64.690-127.451 -89.564 -99.200 -91.000 HIS 239 0.900 60.669-130.252 -98.470 -99.200 -91.000 TYR 240 0.840 59.185-125.229 -98.402 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2zebB1 ILE 1 HA -0.00 -0.15 0.12 -0.75 4.18 3.40 2zebB1 ILE 1 HB -0.02 0.03 -0.10 -0.04 1.89 1.76 2zebB1 ILE 1 HG12 -0.06 -0.09 -0.21 -0.04 1.49 1.09 2zebB1 ILE 1 HG13 -0.12 0.01 -0.25 -0.04 1.21 0.81 2zebB1 ILE 1 HG23 -0.01 -0.00 -0.48 -0.04 0.93 0.39 2zebB1 ILE 1 HD13 -0.05 -0.02 -0.37 -0.04 0.88 0.40 2zebB1 VAL 2 H 0.00 0.39 -0.04 -0.55 8.24 8.05 2zebB1 VAL 2 HA 0.01 0.32 0.62 -0.75 4.13 4.33 2zebB1 VAL 2 HB -0.00 -0.19 -0.22 -0.04 2.12 1.68 2zebB1 VAL 2 HG13 0.00 0.05 -0.31 -0.04 0.97 0.67 2zebB1 VAL 2 HG23 0.01 -0.02 -0.54 -0.04 0.95 0.36 2zebB1 GLY 3 H 0.01 0.15 0.18 -0.55 8.43 8.23 2zebB1 GLY 3 HA2 0.01 -0.04 0.40 -0.51 4.01 3.87 2zebB1 GLY 3 HA3 -0.00 0.19 0.86 -0.51 4.01 4.55 2zebB1 GLY 4 H 0.01 -0.01 0.20 -0.55 8.43 8.08 2zebB1 GLY 4 HA2 0.06 -0.13 0.44 -0.51 4.01 3.87 2zebB1 GLY 4 HA3 0.05 0.24 0.40 -0.51 4.01 4.19 2zebB1 GLN 5 H 0.07 0.42 0.35 -0.55 8.47 8.75 2zebB1 GLN 5 HA 0.05 0.06 0.69 -0.75 4.36 4.40 2zebB1 GLN 5 HB2 0.06 -0.05 0.06 -0.04 2.15 2.18 2zebB1 GLN 5 HB3 0.08 0.02 -0.65 -0.04 2.02 1.44 2zebB1 GLN 5 HG2 0.14 -0.03 -0.24 -0.04 2.40 2.24 2zebB1 GLN 5 HG3 0.08 0.18 -0.20 -0.04 2.39 2.40 2zebB1 GLN 5 HE21 0.34 -0.06 -0.07 -0.04 6.97 7.14 2zebB1 GLN 5 HE22 0.37 0.02 -0.12 -0.04 7.69 7.92 2zebB1 GLU 6 H 0.03 0.06 0.14 -0.55 8.60 8.30 2zebB1 GLU 6 HA 0.00 0.23 0.52 -0.75 4.29 4.29 2zebB1 GLU 6 HB2 0.03 0.01 0.10 -0.04 2.09 2.18 2zebB1 GLU 6 HB3 0.02 -0.11 0.11 -0.04 1.99 1.97 2zebB1 GLU 6 HG2 -0.01 -0.02 -0.30 -0.04 2.34 1.97 2zebB1 GLU 6 HG3 -0.03 0.17 0.07 -0.04 2.34 2.51 2zebB1 ALA 7 H -0.03 0.71 0.32 -0.55 8.40 8.85 2zebB1 ALA 7 HA 0.04 0.05 0.56 -0.75 4.34 4.23 2zebB1 ALA 7 HB3 0.09 -0.00 -0.07 -0.04 1.41 1.38 2zebB1 PRO 8 HA -0.09 0.06 0.50 -0.51 4.44 4.40 2zebB1 PRO 8 HB2 -0.26 -0.10 -0.06 -0.04 2.28 1.82 2zebB1 PRO 8 HB3 -0.14 0.01 0.10 -0.04 2.02 1.94 2zebB1 PRO 8 HG2 -0.25 0.01 0.04 -0.04 2.03 1.78 2zebB1 PRO 8 HG3 -0.11 0.07 0.07 -0.04 2.03 2.01 2zebB1 PRO 8 HD2 -0.25 0.06 0.17 -0.04 3.68 3.61 2zebB1 PRO 8 HD3 -0.07 0.27 0.23 -0.04 3.65 4.04 2zebB1 ARG 9 H -0.09 0.09 0.16 -0.55 8.46 8.06 2zebB1 ARG 9 HA -0.06 0.19 0.28 -0.75 4.34 3.99 2zebB1 ARG 9 HB2 -0.06 -0.05 0.06 -0.04 1.90 1.81 2zebB1 ARG 9 HB3 -0.04 0.04 0.06 -0.04 1.80 1.82 2zebB1 ARG 9 HG2 -0.05 0.09 0.05 -0.04 1.67 1.71 2zebB1 ARG 9 HG3 -0.05 -0.05 0.12 -0.04 1.67 1.64 2zebB1 ARG 9 HD2 -0.04 -0.03 0.02 -0.04 3.22 3.13 2zebB1 ARG 9 HD3 -0.05 0.01 0.02 -0.04 3.22 3.16 2zebB1 SER 10 H -0.16 -0.04 -0.26 -0.55 8.46 7.45 2zebB1 SER 10 HA -0.10 0.19 0.46 -0.75 4.49 4.29 2zebB1 SER 10 HB2 -0.15 0.03 0.05 -0.04 3.95 3.84 2zebB1 SER 10 HB3 -0.09 -0.02 0.02 -0.04 3.93 3.79 2zebB1 LYS 11 H -0.42 0.31 -0.52 -0.55 8.42 7.24 2zebB1 LYS 11 HA -0.93 0.07 0.69 -0.75 4.32 3.39 2zebB1 LYS 11 HB2 -1.12 0.15 -0.02 -0.04 1.87 0.85 2zebB1 LYS 11 HB3 -2.68 -0.05 0.00 -0.04 1.79 -0.98 2zebB1 LYS 11 HG2 -0.53 -0.17 -0.15 -0.04 1.46 0.57 2zebB1 LYS 11 HG3 -0.62 0.03 -0.00 -0.04 1.46 0.83 2zebB1 LYS 11 HD2 -0.85 0.04 -0.07 -0.04 1.69 0.77 2zebB1 LYS 11 HD3 -0.46 -0.04 -0.09 -0.04 1.68 1.05 2zebB1 LYS 11 HE2 -0.59 -0.01 -0.04 -0.04 2.99 2.31 2zebB1 LYS 11 HE3 -1.51 0.03 -0.04 -0.04 2.99 1.42 2zebB1 TRP 12 H -1.29 0.06 0.11 -0.55 7.97 6.30 2zebB1 TRP 12 HA -2.09 -0.04 0.33 -0.75 4.62 2.07 2zebB1 TRP 12 HB2 -0.61 0.19 0.08 -0.04 3.23 2.85 2zebB1 TRP 12 HB3 -0.76 -0.05 0.09 -0.04 3.23 2.46 2zebB1 TRP 12 HD1 -0.37 0.13 -0.22 -0.04 7.22 6.72 2zebB1 TRP 12 HE1 -0.31 0.02 -0.13 -0.04 10.20 9.74 2zebB1 TRP 12 HE3 -0.63 0.01 0.00 -0.04 7.59 6.93 2zebB1 TRP 12 HZ2 -0.91 0.00 -0.10 -0.04 7.44 6.39 2zebB1 TRP 12 HZ3 -1.88 -0.01 -0.06 -0.04 7.13 5.14 2zebB1 TRP 12 HH2 -1.43 -0.01 -0.09 -0.04 7.19 5.63 2zebB1 PRO 13 HA -0.50 0.26 0.29 -0.51 4.44 3.97 2zebB1 PRO 13 HB2 -0.54 -0.37 -0.23 -0.04 2.28 1.09 2zebB1 PRO 13 HB3 -0.47 0.16 -0.23 -0.04 2.02 1.43 2zebB1 PRO 13 HG2 -0.87 0.04 -0.11 -0.04 2.03 1.05 2zebB1 PRO 13 HG3 -0.70 0.10 -0.08 -0.04 2.03 1.31 2zebB1 PRO 13 HD2 -1.32 -0.04 0.11 -0.04 3.68 2.39 2zebB1 PRO 13 HD3 -0.69 0.25 -0.17 -0.04 3.65 2.99 2zebB1 TRP 14 H -1.14 -0.04 -0.55 -0.55 7.97 5.69 2zebB1 TRP 14 HA -0.05 0.20 0.72 -0.75 4.62 4.74 2zebB1 TRP 14 HB2 0.02 -0.15 0.19 -0.04 3.23 3.25 2zebB1 TRP 14 HB3 -0.00 0.18 0.01 -0.04 3.23 3.37 2zebB1 TRP 14 HD1 -0.03 0.04 -0.26 -0.04 7.22 6.93 2zebB1 TRP 14 HE1 -0.10 0.01 -0.08 -0.04 10.20 9.99 2zebB1 TRP 14 HE3 -0.02 0.20 -0.30 -0.04 7.59 7.42 2zebB1 TRP 14 HZ2 -0.04 -0.01 -0.05 -0.04 7.44 7.29 2zebB1 TRP 14 HZ3 0.11 0.04 -0.01 -0.04 7.13 7.24 2zebB1 TRP 14 HH2 -0.48 -0.03 -0.01 -0.04 7.19 6.63 2zebB1 GLN 15 H -0.31 0.44 -0.09 -0.55 8.47 7.96 2zebB1 GLN 15 HA 0.16 0.11 0.66 -0.75 4.36 4.53 2zebB1 GLN 15 HB2 -0.16 -0.08 0.15 -0.04 2.15 2.02 2zebB1 GLN 15 HB3 -0.16 0.14 0.20 -0.04 2.02 2.16 2zebB1 GLN 15 HG2 -0.49 -0.03 -0.05 -0.04 2.40 1.79 2zebB1 GLN 15 HG3 0.11 0.03 -0.38 -0.04 2.39 2.11 2zebB1 GLN 15 HE21 0.08 -0.11 0.25 -0.04 6.97 7.15 2zebB1 GLN 15 HE22 0.26 0.39 0.20 -0.04 7.69 8.49 2zebB1 VAL 16 H 0.16 0.37 0.24 -0.55 8.24 8.46 2zebB1 VAL 16 HA 0.18 0.28 0.91 -0.75 4.13 4.75 2zebB1 VAL 16 HB 0.05 0.17 0.01 -0.04 2.12 2.32 2zebB1 VAL 16 HG13 0.09 0.00 -0.26 -0.04 0.97 0.76 2zebB1 VAL 16 HG23 0.06 -0.06 -0.41 -0.04 0.95 0.50 2zebB1 SER 17 H 0.04 0.69 0.30 -0.55 8.46 8.94 2zebB1 SER 17 HA 0.16 0.19 1.01 -0.75 4.49 5.10 2zebB1 SER 17 HB2 -0.66 0.01 -0.00 -0.04 3.95 3.26 2zebB1 SER 17 HB3 -0.31 -0.02 0.10 -0.04 3.93 3.66 2zebB1 LEU 18 H -0.38 0.90 0.42 -0.55 8.37 8.77 2zebB1 LEU 18 HA -0.16 0.19 0.98 -0.75 4.35 4.60 2zebB1 LEU 18 HB2 -1.11 -0.09 0.13 -0.04 1.64 0.53 2zebB1 LEU 18 HB3 -0.48 0.03 -0.04 -0.04 1.64 1.11 2zebB1 LEU 18 HG -0.21 0.04 -0.42 -0.04 1.64 1.01 2zebB1 LEU 18 HD13 -0.13 -0.01 -0.21 -0.04 0.93 0.54 2zebB1 LEU 18 HD23 -0.06 0.00 -0.26 -0.04 0.89 0.54 2zebB1 ARG 19 H 0.07 0.66 0.32 -0.55 8.46 8.95 2zebB1 ARG 19 HA 0.21 0.36 0.90 -0.75 4.34 5.06 2zebB1 ARG 19 HB2 0.23 -0.08 -0.10 -0.04 1.90 1.90 2zebB1 ARG 19 HB3 0.44 -0.03 -0.44 -0.04 1.80 1.74 2zebB1 ARG 19 HG2 -0.01 0.01 -0.42 -0.04 1.67 1.21 2zebB1 ARG 19 HG3 0.08 -0.06 -0.28 -0.04 1.67 1.37 2zebB1 ARG 19 HD2 0.25 0.15 -0.56 -0.04 3.22 3.02 2zebB1 ARG 19 HD3 0.02 0.11 -0.59 -0.04 3.22 2.73 2zebB1 VAL 20 H 0.36 0.62 0.24 -0.55 8.24 8.91 2zebB1 VAL 20 HA 0.23 0.35 1.10 -0.75 4.13 5.07 2zebB1 VAL 20 HB -0.36 -0.03 0.04 -0.04 2.12 1.73 2zebB1 VAL 20 HG13 -0.08 0.02 -0.00 -0.04 0.97 0.87 2zebB1 VAL 20 HG23 -0.16 0.06 0.07 -0.04 0.95 0.88 2zebB1 HIS 21 H -0.04 0.44 0.29 -0.55 8.41 8.55 2zebB1 HIS 21 HA -1.54 0.00 0.45 -0.75 4.63 2.78 2zebB1 HIS 21 HB2 -1.08 0.08 0.07 -0.04 3.26 2.28 2zebB1 HIS 21 HB3 -0.39 -0.06 0.14 -0.04 3.20 2.84 2zebB1 HIS 21 HD2 -1.33 -0.02 -0.05 -0.04 6.97 5.53 2zebB1 HIS 21 HE1 -0.17 -0.06 -0.08 -0.04 7.75 7.40 2zebB1 GLY 22 H -1.33 0.22 0.05 -0.55 8.43 6.83 2zebB1 GLY 22 HA2 -0.54 0.02 0.40 -0.51 4.01 3.38 2zebB1 GLY 22 HA3 -0.48 0.08 0.41 -0.51 4.01 3.51 2zebB1 PRO 23 HA -0.15 0.06 0.52 -0.51 4.44 4.36 2zebB1 PRO 23 HB2 0.09 0.03 -0.04 -0.04 2.28 2.32 2zebB1 PRO 23 HB3 -0.03 0.01 0.11 -0.04 2.02 2.06 2zebB1 PRO 23 HG2 -0.05 0.04 0.07 -0.04 2.03 2.06 2zebB1 PRO 23 HG3 -0.10 0.02 0.09 -0.04 2.03 2.00 2zebB1 PRO 23 HD2 -0.30 0.13 0.21 -0.04 3.68 3.68 2zebB1 PRO 23 HD3 -0.24 0.12 0.22 -0.04 3.65 3.71 2zebB1 TYR 24 H -0.38 0.22 -0.15 -0.55 8.29 7.43 2zebB1 TYR 24 HA -0.19 0.15 0.23 -0.75 4.56 4.00 2zebB1 TYR 24 HB2 -0.14 -0.02 0.05 -0.04 3.06 2.91 2zebB1 TYR 24 HB3 -0.16 0.09 -0.02 -0.04 2.98 2.86 2zebB1 TYR 24 HD2 -0.32 0.00 -0.30 -0.04 7.15 6.49 2zebB1 TYR 24 HE2 -0.38 -0.01 -0.09 -0.04 6.85 6.33 2zebB1 TRP 25 H 0.30 0.14 -0.00 -0.55 7.97 7.87 2zebB1 TRP 25 HA -0.07 0.32 0.59 -0.75 4.62 4.71 2zebB1 TRP 25 HB2 0.08 -0.05 0.10 -0.04 3.23 3.31 2zebB1 TRP 25 HB3 0.06 0.02 -0.12 -0.04 3.23 3.14 2zebB1 TRP 25 HD1 0.06 -0.02 -0.04 -0.04 7.22 7.18 2zebB1 TRP 25 HE1 0.10 -0.00 -0.08 -0.04 10.20 10.18 2zebB1 TRP 25 HE3 0.06 0.03 -0.62 -0.04 7.59 7.02 2zebB1 TRP 25 HZ2 0.03 -0.03 -0.08 -0.04 7.44 7.32 2zebB1 TRP 25 HZ3 0.07 0.17 -0.59 -0.04 7.13 6.73 2zebB1 TRP 25 HH2 -0.01 0.25 -0.11 -0.04 7.19 7.28 2zebB1 MET 26 H -0.22 0.59 0.21 -0.55 8.47 8.50 2zebB1 MET 26 HA 0.10 0.02 0.40 -0.75 4.52 4.29 2zebB1 MET 26 HB2 -0.96 -0.03 -0.02 -0.04 2.15 1.10 2zebB1 MET 26 HB3 -0.20 0.00 0.06 -0.04 2.03 1.85 2zebB1 MET 26 HG2 0.08 0.29 -0.09 -0.04 2.63 2.88 2zebB1 MET 26 HG3 0.03 -0.07 -0.00 -0.04 2.56 2.48 2zebB1 MET 26 HE3 -0.07 0.01 -0.05 -0.04 2.10 1.96 2zebB1 HIS 27 H 0.44 0.08 0.16 -0.55 8.41 8.55 2zebB1 HIS 27 HA -0.03 0.31 0.64 -0.75 4.63 4.79 2zebB1 HIS 27 HB2 -0.30 -0.03 0.10 -0.04 3.26 2.99 2zebB1 HIS 27 HB3 -0.05 -0.02 0.13 -0.04 3.20 3.22 2zebB1 HIS 27 HD2 0.06 -0.04 -0.37 -0.04 6.97 6.57 2zebB1 HIS 27 HE1 0.28 -0.01 -0.13 -0.04 7.75 7.85 2zebB1 PHE 28 H -0.73 0.41 0.42 -0.55 8.34 7.89 2zebB1 PHE 28 HA -0.03 0.12 0.76 -0.75 4.62 4.71 2zebB1 PHE 28 HB2 -0.04 -0.06 0.11 -0.04 3.15 3.12 2zebB1 PHE 28 HB3 -0.05 0.03 -0.11 -0.04 3.06 2.89 2zebB1 PHE 28 HD2 -0.05 -0.02 -0.14 -0.04 7.28 7.03 2zebB1 PHE 28 HE2 -0.02 0.06 -0.36 -0.04 7.38 7.01 2zebB1 PHE 28 HZ -0.02 -0.02 -0.17 -0.04 7.32 7.06 2zebB1 CYS 29 H -1.19 0.19 0.36 -0.55 8.50 7.31 2zebB1 CYS 29 HA -0.16 0.07 0.63 -0.75 4.58 4.36 2zebB1 CYS 29 HB2 -0.74 -0.09 -0.08 -0.04 2.97 2.02 2zebB1 CYS 29 HB3 -0.25 0.23 0.03 -0.04 2.97 2.95 2zebB1 GLY 30 H 0.01 0.39 0.10 -0.55 8.43 8.38 2zebB1 GLY 30 HA2 0.15 0.19 1.02 -0.51 4.01 4.86 2zebB1 GLY 30 HA3 0.14 0.00 0.48 -0.51 4.01 4.12 2zebB1 GLY 31 H 0.11 0.45 0.34 -0.55 8.43 8.79 2zebB1 GLY 31 HA2 0.04 0.40 0.52 -0.51 4.01 4.46 2zebB1 GLY 31 HA3 0.04 -0.07 0.32 -0.51 4.01 3.79 2zebB1 SER 32 H 0.09 0.46 0.40 -0.55 8.46 8.87 2zebB1 SER 32 HA 0.20 0.33 0.81 -0.75 4.49 5.06 2zebB1 SER 32 HB2 0.17 -0.03 0.04 -0.04 3.95 4.09 2zebB1 SER 32 HB3 0.13 0.03 -0.15 -0.04 3.93 3.90 2zebB1 LEU 33 H 0.24 0.56 0.30 -0.55 8.37 8.93 2zebB1 LEU 33 HA 0.15 0.18 0.76 -0.75 4.35 4.69 2zebB1 LEU 33 HB2 0.13 0.04 0.06 -0.04 1.64 1.83 2zebB1 LEU 33 HB3 0.20 0.01 0.13 -0.04 1.64 1.93 2zebB1 LEU 33 HG 0.14 -0.03 -0.28 -0.04 1.64 1.42 2zebB1 LEU 33 HD13 0.09 0.03 -0.11 -0.04 0.93 0.89 2zebB1 LEU 33 HD23 0.09 -0.03 -0.29 -0.04 0.89 0.63 2zebB1 ILE 34 H 0.20 0.50 0.40 -0.55 8.25 8.80 2zebB1 ILE 34 HA 0.10 0.21 1.01 -0.75 4.18 4.75 2zebB1 ILE 34 HB 0.10 0.02 0.08 -0.04 1.89 2.04 2zebB1 ILE 34 HG12 0.19 0.02 -0.08 -0.04 1.49 1.57 2zebB1 ILE 34 HG13 0.22 0.03 -0.18 -0.04 1.21 1.24 2zebB1 ILE 34 HG23 0.06 0.00 -0.17 -0.04 0.93 0.78 2zebB1 ILE 34 HD13 0.06 -0.01 -0.12 -0.04 0.88 0.78 2zebB1 HIS 35 H 0.28 0.41 0.29 -0.55 8.41 8.84 2zebB1 HIS 35 HA 0.14 0.20 0.58 -0.75 4.63 4.80 2zebB1 HIS 35 HB2 0.14 0.25 -0.08 -0.04 3.26 3.53 2zebB1 HIS 35 HB3 0.38 -0.11 0.03 -0.04 3.20 3.45 2zebB1 HIS 35 HD2 0.10 0.20 0.05 -0.04 6.97 7.27 2zebB1 HIS 35 HE1 0.19 0.00 0.01 -0.04 7.75 7.91 2zebB1 PRO 36 HA 0.01 0.07 0.37 -0.51 4.44 4.37 2zebB1 PRO 36 HB2 -0.14 0.03 0.07 -0.04 2.28 2.20 2zebB1 PRO 36 HB3 -0.05 0.13 0.20 -0.04 2.02 2.25 2zebB1 PRO 36 HG2 -0.24 0.06 0.11 -0.04 2.03 1.92 2zebB1 PRO 36 HG3 -0.11 0.03 0.11 -0.04 2.03 2.02 2zebB1 PRO 36 HD2 -1.75 0.16 0.21 -0.04 3.68 2.26 2zebB1 PRO 36 HD3 -0.27 0.18 0.20 -0.04 3.65 3.72 2zebB1 GLN 37 H 0.58 0.07 -0.45 -0.55 8.47 8.13 2zebB1 GLN 37 HA -0.01 0.24 0.96 -0.75 4.36 4.79 2zebB1 GLN 37 HB2 0.11 -0.05 -0.09 -0.04 2.15 2.08 2zebB1 GLN 37 HB3 0.21 0.04 0.01 -0.04 2.02 2.23 2zebB1 GLN 37 HG2 -0.45 -0.04 0.09 -0.04 2.40 1.95 2zebB1 GLN 37 HG3 -0.18 0.01 -0.06 -0.04 2.39 2.12 2zebB1 GLN 37 HE21 -0.05 -0.04 -0.10 -0.04 6.97 6.74 2zebB1 GLN 37 HE22 -0.15 0.45 -0.14 -0.04 7.69 7.81 2zebB1 TRP 38 H 0.37 0.57 -0.02 -0.55 7.97 8.34 2zebB1 TRP 38 HA 0.06 0.33 1.22 -0.75 4.62 5.47 2zebB1 TRP 38 HB2 0.12 -0.09 0.02 -0.04 3.23 3.25 2zebB1 TRP 38 HB3 0.04 0.05 -0.09 -0.04 3.23 3.19 2zebB1 TRP 38 HD1 -0.09 -0.17 -0.18 -0.04 7.22 6.75 2zebB1 TRP 38 HE1 -0.11 0.02 -0.05 -0.04 10.20 10.01 2zebB1 TRP 38 HE3 -0.03 0.02 -0.23 -0.04 7.59 7.31 2zebB1 TRP 38 HZ2 -0.01 0.03 -0.05 -0.04 7.44 7.37 2zebB1 TRP 38 HZ3 -0.15 -0.04 -0.26 -0.04 7.13 6.65 2zebB1 TRP 38 HH2 -0.05 -0.03 -0.10 -0.04 7.19 6.97 2zebB1 VAL 39 H 0.18 0.72 0.37 -0.55 8.24 8.96 2zebB1 VAL 39 HA 0.16 0.24 1.14 -0.75 4.13 4.92 2zebB1 VAL 39 HB 0.06 -0.04 0.07 -0.04 2.12 2.17 2zebB1 VAL 39 HG13 0.07 -0.03 -0.25 -0.04 0.97 0.72 2zebB1 VAL 39 HG23 0.06 -0.01 -0.23 -0.04 0.95 0.73 2zebB1 LEU 40 H 0.13 0.84 0.45 -0.55 8.37 9.25 2zebB1 LEU 40 HA 0.14 0.22 1.03 -0.75 4.35 4.98 2zebB1 LEU 40 HB2 0.12 -0.02 0.03 -0.04 1.64 1.72 2zebB1 LEU 40 HB3 0.09 0.01 0.15 -0.04 1.64 1.85 2zebB1 LEU 40 HG 0.07 0.03 -0.20 -0.04 1.64 1.49 2zebB1 LEU 40 HD13 0.14 -0.01 0.08 -0.04 0.93 1.10 2zebB1 LEU 40 HD23 0.07 -0.02 -0.10 -0.04 0.89 0.80 2zebB1 THR 41 H 0.07 0.55 0.39 -0.55 8.28 8.74 2zebB1 THR 41 HA 0.01 0.44 0.77 -0.75 4.39 4.85 2zebB1 THR 41 HB 0.01 -0.01 -0.29 -0.04 4.32 3.99 2zebB1 THR 41 HG23 0.00 0.01 -0.36 -0.04 1.22 0.83 2zebB1 ALA 42 H -0.11 0.21 0.21 -0.55 8.40 8.16 2zebB1 ALA 42 HA -0.16 0.25 0.71 -0.75 4.34 4.39 2zebB1 ALA 42 HB3 -0.26 0.01 0.09 -0.04 1.41 1.22 2zebB1 ALA 43 H -0.39 0.14 -0.47 -0.55 8.40 7.13 2zebB1 ALA 43 HA -0.30 0.13 0.28 -0.75 4.34 3.69 2zebB1 ALA 43 HB3 -1.01 0.06 0.00 -0.04 1.41 0.42 2zebB1 HIS 44 H -0.44 0.06 -0.27 -0.55 8.41 7.22 2zebB1 HIS 44 HA 0.04 0.26 0.27 -0.75 4.63 4.44 2zebB1 HIS 44 HB2 0.13 0.05 0.11 -0.04 3.26 3.52 2zebB1 HIS 44 HB3 0.12 -0.12 0.01 -0.04 3.20 3.17 2zebB1 HIS 44 HD2 0.05 0.04 -0.19 -0.04 6.97 6.82 2zebB1 HIS 44 HE1 0.03 0.09 0.17 -0.04 7.75 7.99 2zebB1 CYS 45 H -0.36 0.21 -0.74 -0.55 8.50 7.06 2zebB1 CYS 45 HA 0.03 0.11 0.59 -0.75 4.58 4.55 2zebB1 CYS 45 HB2 -0.09 0.18 -0.04 -0.04 2.97 2.98 2zebB1 CYS 45 HB3 0.17 -0.00 -0.05 -0.04 2.97 3.05 2zebB1 VAL 46 H -0.06 0.28 -0.24 -0.55 8.24 7.68 2zebB1 VAL 46 HA 0.01 0.21 0.84 -0.75 4.13 4.44 2zebB1 VAL 46 HB 0.04 -0.05 -0.01 -0.04 2.12 2.06 2zebB1 VAL 46 HG13 0.11 -0.02 -0.36 -0.04 0.97 0.66 2zebB1 VAL 46 HG23 -0.01 -0.00 -0.21 -0.04 0.95 0.69 2zebB1 GLY 47 H 0.02 0.31 0.09 -0.55 8.43 8.31 2zebB1 GLY 47 HA2 0.08 0.42 0.52 -0.51 4.01 4.51 2zebB1 GLY 47 HA3 0.14 -0.02 0.15 -0.51 4.01 3.78 2zebB1 PRO 48 HA 0.23 0.08 0.23 -0.51 4.44 4.46 2zebB1 PRO 48 HB2 0.11 -0.01 -0.03 -0.04 2.28 2.31 2zebB1 PRO 48 HB3 -0.07 0.11 0.05 -0.04 2.02 2.06 2zebB1 PRO 48 HG2 -0.09 -0.06 0.05 -0.04 2.03 1.89 2zebB1 PRO 48 HG3 -0.64 0.07 0.11 -0.04 2.03 1.53 2zebB1 PRO 48 HD2 -0.05 0.10 0.41 -0.04 3.68 4.09 2zebB1 PRO 48 HD3 -0.06 0.15 0.15 -0.04 3.65 3.85 2zebB1 ASP 49 H 0.04 0.14 -0.12 -0.55 8.40 7.91 2zebB1 ASP 49 HA 0.05 0.04 0.58 -0.75 4.63 4.54 2zebB1 ASP 49 HB2 0.01 0.08 -0.04 -0.04 2.71 2.72 2zebB1 ASP 49 HB3 0.02 -0.04 0.05 -0.04 2.70 2.69 2zebB1 VAL 50 H 0.03 0.05 0.19 -0.55 8.24 7.97 2zebB1 VAL 50 HA 0.03 0.18 0.59 -0.75 4.13 4.18 2zebB1 VAL 50 HB 0.03 -0.07 0.15 -0.04 2.12 2.18 2zebB1 VAL 50 HG13 0.03 -0.01 -0.10 -0.04 0.97 0.85 2zebB1 VAL 50 HG23 0.05 0.02 0.06 -0.04 0.95 1.03 2zebB1 LYS 51 H 0.02 0.24 0.18 -0.55 8.42 8.30 2zebB1 LYS 51 HA -0.00 0.14 0.83 -0.75 4.32 4.54 2zebB1 LYS 51 HB2 -0.01 0.09 -0.07 -0.04 1.87 1.83 2zebB1 LYS 51 HB3 -0.02 -0.11 0.06 -0.04 1.79 1.68 2zebB1 LYS 51 HG2 -0.02 0.00 -0.20 -0.04 1.46 1.20 2zebB1 LYS 51 HG3 -0.01 0.13 -0.64 -0.04 1.46 0.89 2zebB1 LYS 51 HD2 -0.06 0.10 -0.16 -0.04 1.69 1.53 2zebB1 LYS 51 HD3 -0.07 -0.03 -0.08 -0.04 1.68 1.46 2zebB1 LYS 51 HE2 -0.04 -0.05 -0.08 -0.04 2.99 2.77 2zebB1 LYS 51 HE3 -0.03 -0.01 -0.17 -0.04 2.99 2.74 2zebB1 ASP 52 H -0.00 0.15 0.11 -0.55 8.40 8.11 2zebB1 ASP 52 HA 0.01 0.05 0.42 -0.75 4.63 4.36 2zebB1 ASP 52 HB2 -0.00 0.06 0.13 -0.04 2.71 2.85 2zebB1 ASP 52 HB3 0.00 0.01 0.17 -0.04 2.70 2.84 2zebB1 LEU 53 H 0.02 0.20 0.26 -0.55 8.37 8.29 2zebB1 LEU 53 HA 0.03 0.10 0.40 -0.75 4.35 4.13 2zebB1 LEU 53 HB2 0.01 -0.11 0.16 -0.04 1.64 1.66 2zebB1 LEU 53 HB3 0.01 0.17 -0.01 -0.04 1.64 1.77 2zebB1 LEU 53 HG 0.01 -0.02 0.08 -0.04 1.64 1.67 2zebB1 LEU 53 HD13 -0.01 0.06 -0.02 -0.04 0.93 0.92 2zebB1 LEU 53 HD23 0.00 -0.02 -0.19 -0.04 0.89 0.64 2zebB1 ALA 54 H 0.02 0.01 -0.21 -0.55 8.40 7.68 2zebB1 ALA 54 HA 0.05 0.11 0.36 -0.75 4.34 4.11 2zebB1 ALA 54 HB3 0.01 -0.01 0.05 -0.04 1.41 1.42 2zebB1 ALA 55 H 0.06 0.45 -0.56 -0.55 8.40 7.81 2zebB1 ALA 55 HA 0.11 0.04 0.46 -0.75 4.34 4.19 2zebB1 ALA 55 HB3 0.02 0.00 0.12 -0.04 1.41 1.51 2zebB1 LEU 56 H 0.18 0.51 -0.35 -0.55 8.37 8.17 2zebB1 LEU 56 HA 0.35 0.37 1.05 -0.75 4.35 5.36 2zebB1 LEU 56 HB2 0.13 -0.05 -0.14 -0.04 1.64 1.54 2zebB1 LEU 56 HB3 0.10 0.06 0.10 -0.04 1.64 1.85 2zebB1 LEU 56 HG 0.10 -0.01 -0.26 -0.04 1.64 1.42 2zebB1 LEU 56 HD13 0.34 0.05 -0.04 -0.04 0.93 1.23 2zebB1 LEU 56 HD23 0.09 -0.03 -0.14 -0.04 0.89 0.77 2zebB1 ARG 57 H 0.18 0.53 0.32 -0.55 8.46 8.94 2zebB1 ARG 57 HA -0.13 0.23 0.59 -0.75 4.34 4.29 2zebB1 ARG 57 HB2 -0.49 -0.06 -0.15 -0.04 1.90 1.15 2zebB1 ARG 57 HB3 -0.39 -0.07 -0.11 -0.04 1.80 1.19 2zebB1 ARG 57 HG2 -1.01 -0.00 -0.64 -0.04 1.67 -0.02 2zebB1 ARG 57 HG3 -1.65 -0.08 -0.23 -0.04 1.67 -0.33 2zebB1 ARG 57 HD2 -0.40 -0.06 -0.27 -0.04 3.22 2.45 2zebB1 ARG 57 HD3 -0.24 0.07 -0.07 -0.04 3.22 2.94 2zebB1 VAL 58 H -0.12 0.57 0.30 -0.55 8.24 8.44 2zebB1 VAL 58 HA -0.06 0.26 1.04 -0.75 4.13 4.61 2zebB1 VAL 58 HB -0.06 0.03 0.05 -0.04 2.12 2.10 2zebB1 VAL 58 HG13 -0.02 -0.01 -0.31 -0.04 0.97 0.59 2zebB1 VAL 58 HG23 -0.03 -0.01 -0.23 -0.04 0.95 0.64 2zebB1 GLN 59 H -0.06 0.77 0.33 -0.55 8.47 8.96 2zebB1 GLN 59 HA -0.06 0.15 0.93 -0.75 4.36 4.63 2zebB1 GLN 59 HB2 -0.10 -0.06 -0.09 -0.04 2.15 1.86 2zebB1 GLN 59 HB3 -0.14 0.01 0.11 -0.04 2.02 1.96 2zebB1 GLN 59 HG2 -0.18 -0.12 -0.07 -0.04 2.40 1.99 2zebB1 GLN 59 HG3 -0.10 0.23 -0.22 -0.04 2.39 2.25 2zebB1 GLN 59 HE21 0.01 -0.06 0.01 -0.04 6.97 6.88 2zebB1 GLN 59 HE22 0.01 0.64 -0.12 -0.04 7.69 8.17 2zebB1 LEU 60 H -0.01 0.14 0.10 -0.55 8.37 8.05 2zebB1 LEU 60 HA 0.04 0.12 0.60 -0.75 4.35 4.35 2zebB1 LEU 60 HB2 0.02 0.02 0.05 -0.04 1.64 1.69 2zebB1 LEU 60 HB3 0.01 -0.01 0.15 -0.04 1.64 1.74 2zebB1 LEU 60 HG -0.00 -0.02 -0.02 -0.04 1.64 1.55 2zebB1 LEU 60 HD13 0.01 -0.00 -0.02 -0.04 0.93 0.88 2zebB1 LEU 60 HD23 0.02 0.01 -0.12 -0.04 0.89 0.76 2zebB1 ARG 61 H -0.02 0.11 0.15 -0.55 8.46 8.15 2zebB1 ARG 61 HA 0.11 0.07 0.36 -0.75 4.34 4.13 2zebB1 ARG 61 HB2 -0.20 0.08 0.18 -0.04 1.90 1.92 2zebB1 ARG 61 HB3 -0.36 -0.01 0.27 -0.04 1.80 1.65 2zebB1 ARG 61 HG2 -0.51 0.03 -0.02 -0.04 1.67 1.13 2zebB1 ARG 61 HG3 -0.27 -0.12 -0.28 -0.04 1.67 0.96 2zebB1 ARG 61 HD2 0.02 -0.11 -0.01 -0.04 3.22 3.07 2zebB1 ARG 61 HD3 -0.15 0.04 0.09 -0.04 3.22 3.16 2zebB1 GLU 62 H 0.30 0.33 0.19 -0.55 8.60 8.88 2zebB1 GLU 62 HA 0.18 0.03 0.72 -0.75 4.29 4.46 2zebB1 GLU 62 HB2 0.08 0.05 -0.04 -0.04 2.09 2.14 2zebB1 GLU 62 HB3 0.06 0.19 -0.12 -0.04 1.99 2.08 2zebB1 GLU 62 HG2 0.04 -0.03 -0.51 -0.04 2.34 1.81 2zebB1 GLU 62 HG3 0.10 -0.11 -0.07 -0.04 2.34 2.22 2zebB1 GLN 63 H 0.11 0.10 0.15 -0.55 8.47 8.28 2zebB1 GLN 63 HA 0.03 0.17 0.57 -0.75 4.36 4.38 2zebB1 GLN 63 HB2 -0.04 -0.06 0.16 -0.04 2.15 2.17 2zebB1 GLN 63 HB3 -0.53 0.02 -0.05 -0.04 2.02 1.42 2zebB1 GLN 63 HG2 -0.00 0.03 0.02 -0.04 2.40 2.41 2zebB1 GLN 63 HG3 -0.07 -0.07 0.03 -0.04 2.39 2.24 2zebB1 GLN 63 HE21 -0.11 0.23 0.07 -0.04 6.97 7.12 2zebB1 GLN 63 HE22 -0.23 -0.09 0.02 -0.04 7.69 7.34 2zebB1 HIS 64 H 0.17 0.05 -0.03 -0.55 8.41 8.05 2zebB1 HIS 64 HA 0.30 0.41 0.82 -0.75 4.63 5.41 2zebB1 HIS 64 HB2 0.14 -0.20 0.06 -0.04 3.26 3.22 2zebB1 HIS 64 HB3 0.23 0.33 0.02 -0.04 3.20 3.74 2zebB1 HIS 64 HD2 0.07 0.08 -0.39 -0.04 6.97 6.69 2zebB1 HIS 64 HE1 -0.04 -0.04 -0.05 -0.04 7.75 7.57 2zebB1 LEU 65 H 0.14 0.61 0.20 -0.55 8.37 8.77 2zebB1 LEU 65 HA -0.60 -0.04 0.38 -0.75 4.35 3.33 2zebB1 LEU 65 HB2 -0.39 0.08 0.14 -0.04 1.64 1.43 2zebB1 LEU 65 HB3 -1.78 -0.04 -0.05 -0.04 1.64 -0.28 2zebB1 LEU 65 HG -1.80 0.13 0.02 -0.04 1.64 -0.05 2zebB1 LEU 65 HD13 -0.88 -0.01 0.01 -0.04 0.93 0.01 2zebB1 LEU 65 HD23 -1.53 -0.02 -0.03 -0.04 0.89 -0.73 2zebB1 TYR 66 H -0.30 0.12 0.11 -0.55 8.29 7.67 2zebB1 TYR 66 HA -0.08 -0.02 0.29 -0.75 4.56 4.00 2zebB1 TYR 66 HB2 -0.33 0.23 0.04 -0.04 3.06 2.96 2zebB1 TYR 66 HB3 -0.19 -0.05 0.05 -0.04 2.98 2.75 2zebB1 TYR 66 HD2 -0.13 0.06 -0.11 -0.04 7.15 6.93 2zebB1 TYR 66 HE2 -0.40 0.14 0.01 -0.04 6.85 6.56 2zebB1 TYR 67 H 0.23 0.35 -0.45 -0.55 8.29 7.87 2zebB1 TYR 67 HA 0.10 0.12 0.33 -0.75 4.56 4.35 2zebB1 TYR 67 HB2 0.12 0.02 0.04 -0.04 3.06 3.20 2zebB1 TYR 67 HB3 0.06 -0.04 -0.02 -0.04 2.98 2.94 2zebB1 TYR 67 HD2 0.12 0.03 -0.15 -0.04 7.15 7.10 2zebB1 TYR 67 HE2 0.15 0.02 -0.02 -0.04 6.85 6.96 2zebB1 GLN 68 H 0.15 0.14 -0.08 -0.55 8.47 8.14 2zebB1 GLN 68 HA 0.07 0.24 0.71 -0.75 4.36 4.62 2zebB1 GLN 68 HB2 0.06 -0.01 0.20 -0.04 2.15 2.36 2zebB1 GLN 68 HB3 0.05 0.03 0.10 -0.04 2.02 2.16 2zebB1 GLN 68 HG2 0.10 0.09 -0.21 -0.04 2.40 2.34 2zebB1 GLN 68 HG3 0.13 -0.08 -0.07 -0.04 2.39 2.32 2zebB1 GLN 68 HE21 0.02 -0.02 0.00 -0.04 6.97 6.92 2zebB1 GLN 68 HE22 0.04 0.03 -0.00 -0.04 7.69 7.72 2zebB1 ASP 69 H 0.04 0.26 -0.22 -0.55 8.40 7.93 2zebB1 ASP 69 HA -0.00 0.08 0.48 -0.75 4.63 4.43 2zebB1 ASP 69 HB2 0.04 0.05 0.06 -0.04 2.71 2.82 2zebB1 ASP 69 HB3 -0.01 -0.02 -0.10 -0.04 2.70 2.52 2zebB1 GLN 70 H -0.02 0.22 0.07 -0.55 8.47 8.20 2zebB1 GLN 70 HA -0.04 0.14 0.60 -0.75 4.36 4.30 2zebB1 GLN 70 HB2 -0.02 -0.02 0.21 -0.04 2.15 2.28 2zebB1 GLN 70 HB3 -0.03 0.02 0.08 -0.04 2.02 2.05 2zebB1 GLN 70 HG2 -0.00 0.08 -0.18 -0.04 2.40 2.26 2zebB1 GLN 70 HG3 0.01 0.05 -0.22 -0.04 2.39 2.19 2zebB1 GLN 70 HE21 0.01 -0.03 -0.02 -0.04 6.97 6.89 2zebB1 GLN 70 HE22 0.01 0.01 -0.07 -0.04 7.69 7.60 2zebB1 LEU 71 H -0.13 0.12 -0.08 -0.55 8.37 7.74 2zebB1 LEU 71 HA -0.16 0.20 0.37 -0.75 4.35 4.01 2zebB1 LEU 71 HB2 -0.40 -0.01 0.00 -0.04 1.64 1.19 2zebB1 LEU 71 HB3 -0.46 0.02 -0.13 -0.04 1.64 1.03 2zebB1 LEU 71 HG -0.18 -0.05 -0.10 -0.04 1.64 1.27 2zebB1 LEU 71 HD13 -0.58 0.01 -0.10 -0.04 0.93 0.21 2zebB1 LEU 71 HD23 -0.11 0.00 -0.24 -0.04 0.89 0.50 2zebB1 LEU 72 H -0.14 0.65 0.40 -0.55 8.37 8.73 2zebB1 LEU 72 HA -0.11 0.19 0.96 -0.75 4.35 4.63 2zebB1 LEU 72 HB2 -0.08 -0.06 0.17 -0.04 1.64 1.63 2zebB1 LEU 72 HB3 -0.07 0.03 0.07 -0.04 1.64 1.63 2zebB1 LEU 72 HG -0.06 0.14 -0.00 -0.04 1.64 1.67 2zebB1 LEU 72 HD13 -0.03 -0.02 -0.04 -0.04 0.93 0.80 2zebB1 LEU 72 HD23 -0.05 0.00 -0.06 -0.04 0.89 0.75 2zebB1 PRO 73 HA -0.11 0.21 0.55 -0.51 4.44 4.58 2zebB1 PRO 73 HB2 -0.06 0.04 -0.02 -0.04 2.28 2.20 2zebB1 PRO 73 HB3 -0.08 0.04 0.11 -0.04 2.02 2.05 2zebB1 PRO 73 HG2 -0.07 -0.07 0.07 -0.04 2.03 1.92 2zebB1 PRO 73 HG3 -0.06 0.04 0.07 -0.04 2.03 2.03 2zebB1 PRO 73 HD2 -0.08 0.08 0.28 -0.04 3.68 3.92 2zebB1 PRO 73 HD3 -0.11 0.20 0.20 -0.04 3.65 3.91 2zebB1 VAL 74 H -0.05 0.30 0.18 -0.55 8.24 8.13 2zebB1 VAL 74 HA -0.09 0.13 1.02 -0.75 4.13 4.43 2zebB1 VAL 74 HB -0.02 0.04 0.01 -0.04 2.12 2.10 2zebB1 VAL 74 HG13 -0.07 0.03 -0.22 -0.04 0.97 0.67 2zebB1 VAL 74 HG23 -0.05 0.01 -0.26 -0.04 0.95 0.61 2zebB1 SER 75 H -0.13 0.61 0.17 -0.55 8.46 8.55 2zebB1 SER 75 HA -0.05 0.10 0.59 -0.75 4.49 4.37 2zebB1 SER 75 HB2 -0.06 -0.04 0.03 -0.04 3.95 3.84 2zebB1 SER 75 HB3 -0.10 -0.04 -0.09 -0.04 3.93 3.66 2zebB1 ARG 76 H -0.13 0.30 0.12 -0.55 8.46 8.20 2zebB1 ARG 76 HA -0.02 0.11 0.77 -0.75 4.34 4.45 2zebB1 ARG 76 HB2 -0.05 0.05 -0.33 -0.04 1.90 1.53 2zebB1 ARG 76 HB3 -0.10 -0.05 0.01 -0.04 1.80 1.62 2zebB1 ARG 76 HG2 0.04 -0.01 -0.22 -0.04 1.67 1.45 2zebB1 ARG 76 HG3 0.02 0.01 0.06 -0.04 1.67 1.72 2zebB1 ARG 76 HD2 0.08 -0.01 -0.04 -0.04 3.22 3.21 2zebB1 ARG 76 HD3 0.04 0.01 -0.03 -0.04 3.22 3.20 2zebB1 ILE 77 H 0.01 0.20 0.14 -0.55 8.25 8.06 2zebB1 ILE 77 HA 0.04 0.27 1.09 -0.75 4.18 4.83 2zebB1 ILE 77 HB 0.03 -0.03 0.12 -0.04 1.89 1.98 2zebB1 ILE 77 HG12 0.03 0.04 -0.10 -0.04 1.49 1.43 2zebB1 ILE 77 HG13 0.01 -0.11 -0.32 -0.04 1.21 0.75 2zebB1 ILE 77 HG23 0.05 0.00 -0.24 -0.04 0.93 0.70 2zebB1 ILE 77 HD13 0.04 0.02 -0.09 -0.04 0.88 0.80 2zebB1 ILE 78 H 0.09 0.87 0.24 -0.55 8.25 8.91 2zebB1 ILE 78 HA 0.05 0.18 1.03 -0.75 4.18 4.68 2zebB1 ILE 78 HB -0.14 -0.05 0.15 -0.04 1.89 1.81 2zebB1 ILE 78 HG12 -0.11 0.04 -0.16 -0.04 1.49 1.22 2zebB1 ILE 78 HG13 0.03 -0.10 -0.43 -0.04 1.21 0.67 2zebB1 ILE 78 HG23 -0.42 0.00 -0.15 -0.04 0.93 0.32 2zebB1 ILE 78 HD13 -0.39 0.01 -0.11 -0.04 0.88 0.35 2zebB1 VAL 79 H 0.12 0.23 0.08 -0.55 8.24 8.12 2zebB1 VAL 79 HA 0.12 0.10 0.93 -0.75 4.13 4.53 2zebB1 VAL 79 HB 0.10 0.02 -0.01 -0.04 2.12 2.20 2zebB1 VAL 79 HG13 0.03 0.03 -0.05 -0.04 0.97 0.94 2zebB1 VAL 79 HG23 0.05 0.01 -0.22 -0.04 0.95 0.75 2zebB1 HIS 80 H -0.15 0.49 0.33 -0.55 8.41 8.54 2zebB1 HIS 80 HA -0.28 0.11 0.53 -0.75 4.63 4.24 2zebB1 HIS 80 HB2 -1.21 0.11 0.19 -0.04 3.26 2.32 2zebB1 HIS 80 HB3 -0.44 0.04 0.26 -0.04 3.20 3.02 2zebB1 HIS 80 HD2 -2.10 0.02 -0.00 -0.04 6.97 4.84 2zebB1 HIS 80 HE1 0.02 0.02 -0.00 -0.04 7.75 7.75 2zebB1 PRO 81 HA 0.08 0.15 0.25 -0.51 4.44 4.41 2zebB1 PRO 81 HB2 0.04 0.01 0.05 -0.04 2.28 2.33 2zebB1 PRO 81 HB3 0.05 0.05 0.14 -0.04 2.02 2.22 2zebB1 PRO 81 HG2 -0.12 -0.02 0.05 -0.04 2.03 1.90 2zebB1 PRO 81 HG3 -0.00 0.05 0.08 -0.04 2.03 2.11 2zebB1 PRO 81 HD2 -0.99 0.02 0.24 -0.04 3.68 2.91 2zebB1 PRO 81 HD3 0.05 0.25 0.27 -0.04 3.65 4.18 2zebB1 GLN 82 H 0.46 0.02 -0.39 -0.55 8.47 8.01 2zebB1 GLN 82 HA 0.10 0.17 0.70 -0.75 4.36 4.58 2zebB1 GLN 82 HB2 0.18 -0.04 -0.02 -0.04 2.15 2.23 2zebB1 GLN 82 HB3 0.10 -0.01 0.03 -0.04 2.02 2.10 2zebB1 GLN 82 HG2 0.14 0.03 -0.14 -0.04 2.40 2.39 2zebB1 GLN 82 HG3 0.38 -0.02 -0.02 -0.04 2.39 2.69 2zebB1 GLN 82 HE21 0.12 -0.01 -0.01 -0.04 6.97 7.02 2zebB1 GLN 82 HE22 0.22 -0.01 -0.01 -0.04 7.69 7.85 2zebB1 PHE 83 H 0.24 0.50 -0.20 -0.55 8.34 8.33 2zebB1 PHE 83 HA -0.03 0.12 0.39 -0.75 4.62 4.35 2zebB1 PHE 83 HB2 -0.10 0.22 0.18 -0.04 3.15 3.41 2zebB1 PHE 83 HB3 -0.01 0.11 0.11 -0.04 3.06 3.22 2zebB1 PHE 83 HD2 -0.05 0.14 -0.34 -0.04 7.28 6.98 2zebB1 PHE 83 HE2 -0.06 -0.01 -0.69 -0.04 7.38 6.58 2zebB1 PHE 83 HZ -0.02 -0.02 -0.26 -0.04 7.32 6.99 2zebB1 TYR 84 H -0.47 0.10 0.18 -0.55 8.29 7.54 2zebB1 TYR 84 HA -0.55 0.19 0.45 -0.75 4.56 3.90 2zebB1 TYR 84 HB2 -0.21 0.12 -0.03 -0.04 3.06 2.91 2zebB1 TYR 84 HB3 -0.27 -0.10 0.10 -0.04 2.98 2.67 2zebB1 TYR 84 HD2 -0.17 0.04 0.00 -0.04 7.15 6.98 2zebB1 TYR 84 HE2 -0.09 -0.02 -0.02 -0.04 6.85 6.68 2zebB1 THR 85 H -0.42 0.15 0.21 -0.55 8.28 7.67 2zebB1 THR 85 HA -0.51 0.29 0.67 -0.75 4.39 4.08 2zebB1 THR 85 HB -0.29 -0.03 0.17 -0.04 4.32 4.12 2zebB1 THR 85 HG23 -0.29 0.05 -0.11 -0.04 1.22 0.82 2zebB1 ALA 86 H -0.16 0.24 0.13 -0.55 8.40 8.06 2zebB1 ALA 86 HA 0.09 0.07 0.38 -0.75 4.34 4.12 2zebB1 ALA 86 HB3 -0.24 0.03 0.03 -0.04 1.41 1.19 2zebB1 GLN 87 H -0.62 0.06 -0.12 -0.55 8.47 7.24 2zebB1 GLN 87 HA -1.08 0.14 0.37 -0.75 4.36 3.03 2zebB1 GLN 87 HB2 -0.44 -0.05 0.03 -0.04 2.15 1.64 2zebB1 GLN 87 HB3 -0.46 0.10 0.02 -0.04 2.02 1.64 2zebB1 GLN 87 HG2 -0.64 0.05 0.00 -0.04 2.40 1.77 2zebB1 GLN 87 HG3 -2.40 0.04 -0.03 -0.04 2.39 -0.04 2zebB1 GLN 87 HE21 -0.44 0.02 0.03 -0.04 6.97 6.54 2zebB1 GLN 87 HE22 -1.42 0.03 -0.06 -0.04 7.69 6.20 2zebB1 ILE 88 H -0.24 0.00 -0.40 -0.55 8.25 7.06 2zebB1 ILE 88 HA -0.09 0.12 0.56 -0.75 4.18 4.02 2zebB1 ILE 88 HB -0.12 -0.07 0.13 -0.04 1.89 1.79 2zebB1 ILE 88 HG12 -0.08 0.06 -0.04 -0.04 1.49 1.39 2zebB1 ILE 88 HG13 -0.14 -0.13 -0.03 -0.04 1.21 0.87 2zebB1 ILE 88 HG23 -0.04 0.02 -0.01 -0.04 0.93 0.85 2zebB1 ILE 88 HD13 -0.01 -0.00 -0.00 -0.04 0.88 0.82 2zebB1 GLY 89 H -0.06 0.25 -0.19 -0.55 8.43 7.88 2zebB1 GLY 89 HA2 0.04 0.03 0.22 -0.51 4.01 3.79 2zebB1 GLY 89 HA3 -0.00 0.14 0.77 -0.51 4.01 4.41 2zebB1 ALA 90 H 0.01 0.12 0.08 -0.55 8.40 8.07 2zebB1 ALA 90 HA -0.51 0.04 0.25 -0.75 4.34 3.37 2zebB1 ALA 90 HB3 -0.23 0.06 -0.10 -0.04 1.41 1.10 2zebB1 ASP 91 H -0.08 0.08 -0.27 -0.55 8.40 7.59 2zebB1 ASP 91 HA -0.42 0.12 0.44 -0.75 4.63 4.03 2zebB1 ASP 91 HB2 0.12 0.06 -0.01 -0.04 2.71 2.84 2zebB1 ASP 91 HB3 0.02 0.03 0.18 -0.04 2.70 2.90 2zebB1 ILE 92 H -0.44 0.64 0.17 -0.55 8.25 8.07 2zebB1 ILE 92 HA -0.19 0.29 0.97 -0.75 4.18 4.49 2zebB1 ILE 92 HB -0.43 -0.05 -0.39 -0.04 1.89 0.97 2zebB1 ILE 92 HG12 0.10 0.02 -0.08 -0.04 1.49 1.49 2zebB1 ILE 92 HG13 -0.02 0.16 0.17 -0.04 1.21 1.48 2zebB1 ILE 92 HG23 -1.01 -0.00 -0.13 -0.04 0.93 -0.26 2zebB1 ILE 92 HD13 0.06 -0.01 -0.12 -0.04 0.88 0.77 2zebB1 ALA 93 H 0.01 0.64 0.30 -0.55 8.40 8.80 2zebB1 ALA 93 HA 0.26 0.18 0.88 -0.75 4.34 4.91 2zebB1 ALA 93 HB3 -0.02 -0.01 -0.38 -0.04 1.41 0.97 2zebB1 LEU 94 H 0.27 0.79 0.32 -0.55 8.37 9.21 2zebB1 LEU 94 HA 0.22 0.35 1.11 -0.75 4.35 5.27 2zebB1 LEU 94 HB2 0.08 -0.04 0.10 -0.04 1.64 1.73 2zebB1 LEU 94 HB3 0.48 0.04 -0.05 -0.04 1.64 2.07 2zebB1 LEU 94 HG 0.21 -0.10 -0.27 -0.04 1.64 1.44 2zebB1 LEU 94 HD13 -0.59 -0.01 -0.06 -0.04 0.93 0.24 2zebB1 LEU 94 HD23 0.14 0.02 -0.04 -0.04 0.89 0.97 2zebB1 LEU 95 H 0.17 0.60 0.27 -0.55 8.37 8.86 2zebB1 LEU 95 HA 0.02 0.26 1.09 -0.75 4.35 4.97 2zebB1 LEU 95 HB2 0.01 -0.07 0.02 -0.04 1.64 1.56 2zebB1 LEU 95 HB3 -0.02 0.04 -0.04 -0.04 1.64 1.58 2zebB1 LEU 95 HG 0.06 -0.00 -0.23 -0.04 1.64 1.43 2zebB1 LEU 95 HD13 0.02 0.00 -0.20 -0.04 0.93 0.72 2zebB1 LEU 95 HD23 0.05 0.02 -0.32 -0.04 0.89 0.59 2zebB1 GLU 96 H -0.25 0.76 0.31 -0.55 8.60 8.88 2zebB1 GLU 96 HA -1.30 0.24 0.97 -0.75 4.29 3.45 2zebB1 GLU 96 HB2 -1.34 -0.01 0.04 -0.04 2.09 0.75 2zebB1 GLU 96 HB3 -0.45 -0.19 0.18 -0.04 1.99 1.49 2zebB1 GLU 96 HG2 -0.54 0.23 -0.17 -0.04 2.34 1.82 2zebB1 GLU 96 HG3 -1.41 0.05 0.04 -0.04 2.34 0.98 2zebB1 LEU 97 H -0.46 0.70 0.24 -0.55 8.37 8.31 2zebB1 LEU 97 HA -0.16 0.07 0.65 -0.75 4.35 4.16 2zebB1 LEU 97 HB2 -0.14 0.03 0.03 -0.04 1.64 1.52 2zebB1 LEU 97 HB3 -0.10 0.01 0.10 -0.04 1.64 1.61 2zebB1 LEU 97 HG -0.12 -0.01 -0.21 -0.04 1.64 1.26 2zebB1 LEU 97 HD13 -0.02 -0.00 -0.13 -0.04 0.93 0.73 2zebB1 LEU 97 HD23 -0.07 -0.01 -0.15 -0.04 0.89 0.62 2zebB1 GLU 98 H -0.10 0.41 0.20 -0.55 8.60 8.56 2zebB1 GLU 98 HA -0.10 0.01 0.30 -0.75 4.29 3.75 2zebB1 GLU 98 HB2 -0.07 0.09 -0.11 -0.04 2.09 1.95 2zebB1 GLU 98 HB3 -0.06 0.01 -0.03 -0.04 1.99 1.87 2zebB1 GLU 98 HG2 -0.05 -0.00 0.01 -0.04 2.34 2.26 2zebB1 GLU 98 HG3 -0.05 -0.01 -0.13 -0.04 2.34 2.10 2zebB1 GLU 99 H -0.07 0.15 -0.08 -0.55 8.60 8.06 2zebB1 GLU 99 HA -0.04 0.18 0.67 -0.75 4.29 4.35 2zebB1 GLU 99 HB2 -0.04 -0.08 -0.01 -0.04 2.09 1.92 2zebB1 GLU 99 HB3 -0.02 0.10 0.03 -0.04 1.99 2.06 2zebB1 GLU 99 HG2 -0.02 -0.01 0.08 -0.04 2.34 2.35 2zebB1 GLU 99 HG3 -0.03 0.16 -0.21 -0.04 2.34 2.21 2zebB1 PRO 100 HA -0.01 0.16 0.49 -0.51 4.44 4.57 2zebB1 PRO 100 HB2 0.01 0.08 -0.08 -0.04 2.28 2.24 2zebB1 PRO 100 HB3 0.03 -0.03 -0.02 -0.04 2.02 1.96 2zebB1 PRO 100 HG2 0.01 -0.00 0.04 -0.04 2.03 2.04 2zebB1 PRO 100 HG3 0.03 0.02 0.03 -0.04 2.03 2.07 2zebB1 PRO 100 HD2 -0.01 0.08 0.21 -0.04 3.68 3.92 2zebB1 PRO 100 HD3 -0.01 0.17 0.01 -0.04 3.65 3.78 2zebB1 VAL 101 H 0.00 0.47 0.26 -0.55 8.24 8.42 2zebB1 VAL 101 HA -0.00 0.10 0.66 -0.75 4.13 4.13 2zebB1 VAL 101 HB 0.02 -0.01 0.16 -0.04 2.12 2.25 2zebB1 VAL 101 HG13 0.02 -0.03 -0.29 -0.04 0.97 0.63 2zebB1 VAL 101 HG23 0.00 0.02 0.00 -0.04 0.95 0.94 2zebB1 LYS 102 H 0.01 0.16 0.10 -0.55 8.42 8.14 2zebB1 LYS 102 HA 0.01 0.09 0.75 -0.75 4.32 4.41 2zebB1 LYS 102 HB2 0.01 0.00 0.12 -0.04 1.87 1.95 2zebB1 LYS 102 HB3 0.02 -0.02 0.22 -0.04 1.79 1.96 2zebB1 LYS 102 HG2 0.01 -0.06 0.03 -0.04 1.46 1.41 2zebB1 LYS 102 HG3 0.02 0.11 -0.06 -0.04 1.46 1.49 2zebB1 LYS 102 HD2 0.01 0.04 0.08 -0.04 1.69 1.78 2zebB1 LYS 102 HD3 0.01 -0.03 0.01 -0.04 1.68 1.63 2zebB1 LYS 102 HE2 0.01 -0.05 0.01 -0.04 2.99 2.92 2zebB1 LYS 102 HE3 0.01 0.06 0.01 -0.04 2.99 3.03 2zebB1 VAL 103 H 0.02 0.18 0.09 -0.55 8.24 7.99 2zebB1 VAL 103 HA 0.06 0.16 0.37 -0.75 4.13 3.96 2zebB1 VAL 103 HB 0.10 0.07 0.21 -0.04 2.12 2.46 2zebB1 VAL 103 HG13 0.05 0.02 0.03 -0.04 0.97 1.02 2zebB1 VAL 103 HG23 0.03 -0.02 -0.02 -0.04 0.95 0.90 2zebB1 SER 104 H 0.11 0.65 0.28 -0.55 8.46 8.95 2zebB1 SER 104 HA 0.05 0.13 0.59 -0.75 4.49 4.51 2zebB1 SER 104 HB2 0.06 -0.17 0.24 -0.04 3.95 4.04 2zebB1 SER 104 HB3 0.05 0.22 -0.11 -0.04 3.93 4.05 2zebB1 SER 105 H 0.08 0.12 0.17 -0.55 8.46 8.28 2zebB1 SER 105 HA 0.17 0.21 0.73 -0.75 4.49 4.85 2zebB1 SER 105 HB2 0.05 -0.00 0.06 -0.04 3.95 4.02 2zebB1 SER 105 HB3 0.06 -0.02 0.08 -0.04 3.93 4.01 2zebB1 HIS 106 H 0.13 -0.04 0.02 -0.55 8.41 7.97 2zebB1 HIS 106 HA -0.08 0.27 0.84 -0.75 4.63 4.90 2zebB1 HIS 106 HB2 -0.03 -0.06 0.01 -0.04 3.26 3.14 2zebB1 HIS 106 HB3 -0.02 -0.04 0.04 -0.04 3.20 3.14 2zebB1 HIS 106 HD2 -0.10 0.08 0.03 -0.04 6.97 6.94 2zebB1 HIS 106 HE1 -0.01 0.25 -0.01 -0.04 7.75 7.95 2zebB1 VAL 107 H 0.03 -0.05 -0.24 -0.55 8.24 7.43 2zebB1 VAL 107 HA -0.23 0.38 0.57 -0.75 4.13 4.10 2zebB1 VAL 107 HB -0.10 0.13 0.12 -0.04 2.12 2.22 2zebB1 VAL 107 HG13 0.04 -0.05 -0.02 -0.04 0.97 0.90 2zebB1 VAL 107 HG23 0.01 0.00 -0.13 -0.04 0.95 0.79 2zebB1 HIS 108 H -0.25 0.28 -0.15 -0.55 8.41 7.74 2zebB1 HIS 108 HA 0.07 0.05 0.21 -0.75 4.63 4.20 2zebB1 HIS 108 HB2 0.09 -0.12 0.18 -0.04 3.26 3.38 2zebB1 HIS 108 HB3 0.06 0.15 0.14 -0.04 3.20 3.50 2zebB1 HIS 108 HD2 0.03 0.11 -0.10 -0.04 6.97 6.96 2zebB1 HIS 108 HE1 0.30 -0.06 -0.04 -0.04 7.75 7.91 2zebB1 THR 109 H 0.29 0.07 0.05 -0.55 8.28 8.13 2zebB1 THR 109 HA 0.24 0.24 0.34 -0.75 4.39 4.45 2zebB1 THR 109 HB 0.14 0.19 -0.13 -0.04 4.32 4.48 2zebB1 THR 109 HG23 0.11 -0.03 -0.29 -0.04 1.22 0.96 2zebB1 VAL 110 H 0.08 0.52 0.32 -0.55 8.24 8.61 2zebB1 VAL 110 HA -0.27 0.11 0.83 -0.75 4.13 4.05 2zebB1 VAL 110 HB -1.55 -0.05 0.05 -0.04 2.12 0.53 2zebB1 VAL 110 HG13 -0.28 0.03 -0.18 -0.04 0.97 0.51 2zebB1 VAL 110 HG23 -1.14 0.01 -0.09 -0.04 0.95 -0.31 2zebB1 THR 111 H -0.14 0.18 0.13 -0.55 8.28 7.91 2zebB1 THR 111 HA 0.03 0.14 0.59 -0.75 4.39 4.40 2zebB1 THR 111 HB 0.04 0.14 0.18 -0.04 4.32 4.63 2zebB1 THR 111 HG23 0.05 0.05 -0.09 -0.04 1.22 1.19 2zebB1 LEU 112 H 0.06 0.16 0.18 -0.55 8.37 8.22 2zebB1 LEU 112 HA 0.04 0.08 0.70 -0.75 4.35 4.42 2zebB1 LEU 112 HB2 0.10 -0.01 0.08 -0.04 1.64 1.76 2zebB1 LEU 112 HB3 0.06 0.05 0.06 -0.04 1.64 1.77 2zebB1 LEU 112 HG 0.06 0.05 0.05 -0.04 1.64 1.75 2zebB1 LEU 112 HD13 0.00 -0.00 -0.03 -0.04 0.93 0.87 2zebB1 LEU 112 HD23 0.02 -0.01 -0.10 -0.04 0.89 0.75 2zebB1 PRO 113 HA 0.11 0.08 0.42 -0.51 4.44 4.53 2zebB1 PRO 113 HB2 0.17 0.10 0.04 -0.04 2.28 2.55 2zebB1 PRO 113 HB3 0.42 -0.06 0.00 -0.04 2.02 2.34 2zebB1 PRO 113 HG2 0.17 -0.02 -0.03 -0.04 2.03 2.10 2zebB1 PRO 113 HG3 0.27 0.08 0.06 -0.04 2.03 2.41 2zebB1 PRO 113 HD2 0.09 0.03 0.18 -0.04 3.68 3.95 2zebB1 PRO 113 HD3 0.11 0.24 0.24 -0.04 3.65 4.20 2zebB1 PRO 114 HA 0.05 0.15 0.62 -0.51 4.44 4.75 2zebB1 PRO 114 HB2 -0.01 -0.21 0.02 -0.04 2.28 2.04 2zebB1 PRO 114 HB3 0.01 0.10 0.12 -0.04 2.02 2.21 2zebB1 PRO 114 HG2 -0.06 -0.08 0.01 -0.04 2.03 1.87 2zebB1 PRO 114 HG3 -0.03 0.07 0.03 -0.04 2.03 2.07 2zebB1 PRO 114 HD2 0.02 0.07 0.20 -0.04 3.68 3.93 2zebB1 PRO 114 HD3 0.03 0.21 0.10 -0.04 3.65 3.94 2zebB1 ALA 115 H 0.03 0.16 0.14 -0.55 8.40 8.18 2zebB1 ALA 115 HA 0.04 0.16 0.42 -0.75 4.34 4.20 2zebB1 ALA 115 HB3 0.01 0.01 0.09 -0.04 1.41 1.48 2zebB1 SER 116 H -0.01 -0.00 -0.42 -0.55 8.46 7.48 2zebB1 SER 116 HA -0.02 0.19 0.40 -0.75 4.49 4.31 2zebB1 SER 116 HB2 -0.03 0.00 0.11 -0.04 3.95 3.99 2zebB1 SER 116 HB3 -0.02 -0.01 -0.00 -0.04 3.93 3.86 2zebB1 GLU 117 H -0.06 0.38 -0.45 -0.55 8.60 7.92 2zebB1 GLU 117 HA -0.22 0.05 0.74 -0.75 4.29 4.11 2zebB1 GLU 117 HB2 -0.24 -0.03 0.02 -0.04 2.09 1.79 2zebB1 GLU 117 HB3 -0.27 0.14 0.09 -0.04 1.99 1.91 2zebB1 GLU 117 HG2 -1.04 0.04 -0.05 -0.04 2.34 1.25 2zebB1 GLU 117 HG3 -2.09 -0.01 -0.30 -0.04 2.34 -0.09 2zebB1 THR 118 H -0.18 0.12 0.18 -0.55 8.28 7.85 2zebB1 THR 118 HA 0.02 0.16 0.39 -0.75 4.39 4.21 2zebB1 THR 118 HB -0.04 -0.03 0.01 -0.04 4.32 4.22 2zebB1 THR 118 HG23 0.04 0.00 -0.06 -0.04 1.22 1.16 2zebB1 PHE 119 H -0.41 -0.03 -0.10 -0.55 8.34 7.24 2zebB1 PHE 119 HA 0.00 -0.00 0.28 -0.75 4.62 4.15 2zebB1 PHE 119 HB2 -0.00 0.19 0.03 -0.04 3.15 3.32 2zebB1 PHE 119 HB3 -0.01 -0.02 0.07 -0.04 3.06 3.06 2zebB1 PHE 119 HD2 0.02 0.05 -0.17 -0.04 7.28 7.13 2zebB1 PHE 119 HE2 0.03 0.03 -0.06 -0.04 7.38 7.35 2zebB1 PHE 119 HZ 0.03 0.02 -0.17 -0.04 7.32 7.15 2zebB1 PRO 120 HA 0.04 0.08 0.34 -0.51 4.44 4.39 2zebB1 PRO 120 HB2 0.01 0.15 0.00 -0.04 2.28 2.41 2zebB1 PRO 120 HB3 0.01 -0.04 0.05 -0.04 2.02 2.01 2zebB1 PRO 120 HG2 0.01 0.06 -0.06 -0.04 2.03 2.01 2zebB1 PRO 120 HG3 -0.01 0.02 0.02 -0.04 2.03 2.01 2zebB1 PRO 120 HD2 -0.03 0.03 0.15 -0.04 3.68 3.79 2zebB1 PRO 120 HD3 -0.04 0.01 0.04 -0.04 3.65 3.62 2zebB1 PRO 121 HA 0.00 0.11 0.40 -0.51 4.44 4.44 2zebB1 PRO 121 HB2 0.00 -0.00 0.00 -0.04 2.28 2.24 2zebB1 PRO 121 HB3 -0.01 0.15 0.14 -0.04 2.02 2.25 2zebB1 PRO 121 HG2 0.00 -0.01 0.08 -0.04 2.03 2.07 2zebB1 PRO 121 HG3 -0.01 -0.05 -0.00 -0.04 2.03 1.93 2zebB1 PRO 121 HD2 0.02 0.08 0.16 -0.04 3.68 3.90 2zebB1 PRO 121 HD3 0.02 0.10 0.12 -0.04 3.65 3.85 2zebB1 GLY 122 H -0.00 0.14 0.19 -0.55 8.43 8.21 2zebB1 GLY 122 HA2 0.00 -0.02 0.34 -0.51 4.01 3.82 2zebB1 GLY 122 HA3 0.01 0.16 0.72 -0.51 4.01 4.38 2zebB1 MET 123 H 0.04 0.33 -0.23 -0.55 8.47 8.06 2zebB1 MET 123 HA 0.05 0.10 0.56 -0.75 4.52 4.48 2zebB1 MET 123 HB2 0.11 -0.01 -0.03 -0.04 2.15 2.19 2zebB1 MET 123 HB3 0.15 -0.00 -0.07 -0.04 2.03 2.06 2zebB1 MET 123 HG2 0.05 0.09 -0.11 -0.04 2.63 2.62 2zebB1 MET 123 HG3 0.14 -0.09 -0.07 -0.04 2.56 2.49 2zebB1 MET 123 HE3 0.07 -0.03 -0.07 -0.04 2.10 2.03 2zebB1 PRO 124 HA 0.04 0.07 0.58 -0.51 4.44 4.61 2zebB1 PRO 124 HB2 0.23 -0.05 0.19 -0.04 2.28 2.61 2zebB1 PRO 124 HB3 0.17 0.03 0.12 -0.04 2.02 2.30 2zebB1 PRO 124 HG2 0.03 0.04 0.20 -0.04 2.03 2.26 2zebB1 PRO 124 HG3 0.05 0.07 0.15 -0.04 2.03 2.26 2zebB1 PRO 124 HD2 0.06 0.10 0.24 -0.04 3.68 4.04 2zebB1 PRO 124 HD3 0.04 0.18 0.34 -0.04 3.65 4.16 2zebB1 CYS 125 H -0.07 0.25 0.28 -0.55 8.50 8.40 2zebB1 CYS 125 HA 0.36 0.38 1.21 -0.75 4.58 5.77 2zebB1 CYS 125 HB2 -0.09 0.12 0.03 -0.04 2.97 3.00 2zebB1 CYS 125 HB3 -0.05 -0.01 -0.16 -0.04 2.97 2.71 2zebB1 TRP 126 H 0.36 0.65 0.40 -0.55 7.97 8.83 2zebB1 TRP 126 HA -0.06 0.35 1.10 -0.75 4.62 5.26 2zebB1 TRP 126 HB2 -0.39 -0.04 0.05 -0.04 3.23 2.81 2zebB1 TRP 126 HB3 -0.38 0.04 -0.03 -0.04 3.23 2.82 2zebB1 TRP 126 HD1 0.62 0.08 -0.23 -0.04 7.22 7.65 2zebB1 TRP 126 HE1 0.42 -0.02 -0.17 -0.04 10.20 10.39 2zebB1 TRP 126 HE3 0.07 0.02 -0.28 -0.04 7.59 7.35 2zebB1 TRP 126 HZ2 0.20 -0.01 -0.07 -0.04 7.44 7.52 2zebB1 TRP 126 HZ3 0.13 0.06 -0.17 -0.04 7.13 7.10 2zebB1 TRP 126 HH2 0.13 0.01 -0.06 -0.04 7.19 7.22 2zebB1 VAL 127 H -0.02 0.49 0.34 -0.55 8.24 8.50 2zebB1 VAL 127 HA -0.09 0.31 1.05 -0.75 4.13 4.65 2zebB1 VAL 127 HB -0.01 0.02 -0.15 -0.04 2.12 1.94 2zebB1 VAL 127 HG13 0.14 0.01 -0.07 -0.04 0.97 1.00 2zebB1 VAL 127 HG23 0.01 -0.00 -0.19 -0.04 0.95 0.73 2zebB1 THR 128 H -0.20 0.42 0.28 -0.55 8.28 8.24 2zebB1 THR 128 HA -0.31 0.35 1.11 -0.75 4.39 4.79 2zebB1 THR 128 HB -0.56 0.07 0.15 -0.04 4.32 3.94 2zebB1 THR 128 HG23 -1.53 -0.04 -0.18 -0.04 1.22 -0.57 2zebB1 GLY 129 H -0.39 0.50 0.34 -0.55 8.43 8.33 2zebB1 GLY 129 HA2 -0.37 0.03 0.38 -0.51 4.01 3.54 2zebB1 GLY 129 HA3 -0.10 0.07 0.71 -0.51 4.01 4.18 2zebB1 TRP 130 H 0.22 0.18 0.10 -0.55 7.97 7.92 2zebB1 TRP 130 HA -0.06 0.30 0.81 -0.75 4.62 4.91 2zebB1 TRP 130 HB2 -0.72 -0.03 0.04 -0.04 3.23 2.48 2zebB1 TRP 130 HB3 -0.29 0.01 0.14 -0.04 3.23 3.04 2zebB1 TRP 130 HD1 -0.01 0.15 -0.37 -0.04 7.22 6.95 2zebB1 TRP 130 HE1 -0.04 0.07 -0.20 -0.04 10.20 9.99 2zebB1 TRP 130 HE3 -0.05 0.00 -0.00 -0.04 7.59 7.50 2zebB1 TRP 130 HZ2 -0.06 0.43 -0.01 -0.04 7.44 7.77 2zebB1 TRP 130 HZ3 0.01 0.11 -0.46 -0.04 7.13 6.74 2zebB1 TRP 130 HH2 -0.04 0.05 -0.22 -0.04 7.19 6.93 2zebB1 GLY 131 H 0.07 0.01 -0.53 -0.55 8.43 7.44 2zebB1 GLY 131 HA2 0.16 0.01 0.32 -0.51 4.01 3.99 2zebB1 GLY 131 HA3 0.11 -0.14 -0.10 -0.51 4.01 3.37 2zebB1 ASP 132 H 0.10 0.49 0.13 -0.55 8.40 8.58 2zebB1 ASP 132 HA 0.10 -0.05 0.40 -0.75 4.63 4.32 2zebB1 ASP 132 HB2 0.07 -0.19 0.04 -0.04 2.71 2.59 2zebB1 ASP 132 HB3 0.06 0.15 0.06 -0.04 2.70 2.93 2zebB1 VAL 133 H 0.07 0.45 0.11 -0.55 8.24 8.32 2zebB1 VAL 133 HA 0.04 0.53 0.44 -0.75 4.13 4.39 2zebB1 VAL 133 HB 0.04 -0.04 0.14 -0.04 2.12 2.22 2zebB1 VAL 133 HG13 0.07 0.01 -0.02 -0.04 0.97 0.99 2zebB1 VAL 133 HG23 0.05 0.00 -0.17 -0.04 0.95 0.79 2zebB1 ASP 134 H 0.04 0.24 -0.21 -0.55 8.40 7.93 2zebB1 ASP 134 HA 0.02 0.06 0.07 -0.75 4.63 4.03 2zebB1 ASP 134 HB2 0.02 0.23 -0.15 -0.04 2.71 2.77 2zebB1 ASP 134 HB3 0.02 0.01 -0.15 -0.04 2.70 2.54 2zebB1 ASN 135 H 0.02 0.20 0.05 -0.55 8.53 8.26 2zebB1 ASN 135 HA 0.03 -0.05 0.41 -0.75 4.76 4.40 2zebB1 ASN 135 HB2 0.02 0.05 0.12 -0.04 2.88 3.02 2zebB1 ASN 135 HB3 0.02 -0.00 0.03 -0.04 2.79 2.79 2zebB1 ASN 135 HD21 0.00 0.35 0.08 -0.04 7.03 7.42 2zebB1 ASN 135 HD22 0.01 -0.01 0.09 -0.04 7.74 7.78 2zebB1 ASP 136 H 0.04 0.07 0.21 -0.55 8.40 8.17 2zebB1 ASP 136 HA 0.04 -0.02 0.32 -0.75 4.63 4.22 2zebB1 ASP 136 HB2 0.03 0.26 0.05 -0.04 2.71 3.01 2zebB1 ASP 136 HB3 0.03 -0.02 0.21 -0.04 2.70 2.89 2zebB1 GLU 137 H 0.05 0.23 -0.17 -0.55 8.60 8.16 2zebB1 GLU 137 HA 0.05 0.14 0.89 -0.75 4.29 4.62 2zebB1 GLU 137 HB2 0.04 0.10 -0.59 -0.04 2.09 1.60 2zebB1 GLU 137 HB3 0.04 -0.12 -0.11 -0.04 1.99 1.76 2zebB1 GLU 137 HG2 0.05 0.09 -0.18 -0.04 2.34 2.26 2zebB1 GLU 137 HG3 0.04 0.01 -0.05 -0.04 2.34 2.30 2zebB1 ARG 138 H 0.08 0.12 0.03 -0.55 8.46 8.14 2zebB1 ARG 138 HA 0.11 -0.02 0.26 -0.75 4.34 3.94 2zebB1 ARG 138 HB2 0.13 -0.02 -0.00 -0.04 1.90 1.96 2zebB1 ARG 138 HB3 0.18 0.17 -0.02 -0.04 1.80 2.08 2zebB1 ARG 138 HG2 0.09 -0.04 -0.00 -0.04 1.67 1.67 2zebB1 ARG 138 HG3 0.12 0.03 -0.01 -0.04 1.67 1.76 2zebB1 ARG 138 HD2 0.12 0.09 -0.02 -0.04 3.22 3.37 2zebB1 ARG 138 HD3 0.10 -0.07 -0.13 -0.04 3.22 3.08 2zebB1 LEU 139 H 0.16 0.12 0.02 -0.55 8.37 8.12 2zebB1 LEU 139 HA 0.13 0.10 0.60 -0.75 4.35 4.43 2zebB1 LEU 139 HB2 0.18 0.28 -0.07 -0.04 1.64 1.98 2zebB1 LEU 139 HB3 0.29 -0.09 0.06 -0.04 1.64 1.87 2zebB1 LEU 139 HG 0.30 0.09 -0.24 -0.04 1.64 1.75 2zebB1 LEU 139 HD13 0.12 0.02 0.01 -0.04 0.93 1.04 2zebB1 LEU 139 HD23 0.40 -0.03 -0.11 -0.04 0.89 1.11 2zebB1 PRO 140 HA 0.03 0.06 0.47 -0.51 4.44 4.49 2zebB1 PRO 140 HB2 -0.04 0.11 -0.00 -0.04 2.28 2.31 2zebB1 PRO 140 HB3 -0.01 -0.05 0.11 -0.04 2.02 2.03 2zebB1 PRO 140 HG2 0.02 -0.01 0.07 -0.04 2.03 2.07 2zebB1 PRO 140 HG3 0.04 0.04 0.08 -0.04 2.03 2.15 2zebB1 PRO 140 HD2 0.07 0.07 0.19 -0.04 3.68 3.96 2zebB1 PRO 140 HD3 0.08 0.17 0.31 -0.04 3.65 4.17 2zebB1 PRO 141 HA -1.47 0.05 0.56 -0.51 4.44 3.07 2zebB1 PRO 141 HB2 -0.27 0.03 -0.03 -0.04 2.28 1.96 2zebB1 PRO 141 HB3 -0.79 0.05 0.08 -0.04 2.02 1.32 2zebB1 PRO 141 HG2 -0.16 0.01 0.08 -0.04 2.03 1.92 2zebB1 PRO 141 HG3 -0.13 0.02 0.06 -0.04 2.03 1.95 2zebB1 PRO 141 HD2 -0.10 0.07 0.24 -0.04 3.68 3.85 2zebB1 PRO 141 HD3 -0.18 0.18 0.14 -0.04 3.65 3.74 2zebB1 PRO 142 HA -0.10 0.04 0.28 -0.51 4.44 4.16 2zebB1 PRO 142 HB2 -0.49 0.02 0.08 -0.04 2.28 1.85 2zebB1 PRO 142 HB3 -0.44 -0.00 0.08 -0.04 2.02 1.61 2zebB1 PRO 142 HG2 -0.26 0.02 0.00 -0.04 2.03 1.76 2zebB1 PRO 142 HG3 -0.25 -0.01 0.05 -0.04 2.03 1.78 2zebB1 PRO 142 HD2 -0.03 0.12 -0.02 -0.04 3.68 3.70 2zebB1 PRO 142 HD3 -0.11 0.14 0.51 -0.04 3.65 4.15 2zebB1 PHE 143 H -0.17 0.36 0.23 -0.55 8.34 8.21 2zebB1 PHE 143 HA 0.20 0.25 0.27 -0.75 4.62 4.58 2zebB1 PHE 143 HB2 0.17 0.03 0.01 -0.04 3.15 3.31 2zebB1 PHE 143 HB3 0.10 0.00 0.10 -0.04 3.06 3.22 2zebB1 PHE 143 HD2 0.24 0.18 -0.23 -0.04 7.28 7.44 2zebB1 PHE 143 HE2 0.14 0.05 -0.06 -0.04 7.38 7.47 2zebB1 PHE 143 HZ 0.09 -0.04 -0.04 -0.04 7.32 7.29 2zebB1 PRO 144 HA 0.13 0.31 0.65 -0.51 4.44 5.03 2zebB1 PRO 144 HB2 0.04 0.07 -0.05 -0.04 2.28 2.29 2zebB1 PRO 144 HB3 0.12 -0.05 0.05 -0.04 2.02 2.10 2zebB1 PRO 144 HG2 0.10 0.06 0.03 -0.04 2.03 2.18 2zebB1 PRO 144 HG3 0.09 -0.02 -0.00 -0.04 2.03 2.06 2zebB1 PRO 144 HD2 0.15 0.22 0.13 -0.04 3.68 4.14 2zebB1 PRO 144 HD3 0.20 0.01 -0.17 -0.04 3.65 3.64 2zebB1 LEU 145 H 0.04 0.46 0.34 -0.55 8.37 8.67 2zebB1 LEU 145 HA -1.10 0.04 0.56 -0.75 4.35 3.09 2zebB1 LEU 145 HB2 -0.49 0.09 0.16 -0.04 1.64 1.35 2zebB1 LEU 145 HB3 -0.21 -0.03 0.20 -0.04 1.64 1.55 2zebB1 LEU 145 HG -0.38 0.02 -0.19 -0.04 1.64 1.04 2zebB1 LEU 145 HD13 -1.45 -0.02 0.02 -0.04 0.93 -0.57 2zebB1 LEU 145 HD23 -0.26 0.00 -0.02 -0.04 0.89 0.57 2zebB1 LYS 146 H -0.42 0.37 0.29 -0.55 8.42 8.11 2zebB1 LYS 146 HA -0.07 0.15 1.07 -0.75 4.32 4.72 2zebB1 LYS 146 HB2 -0.10 0.18 0.13 -0.04 1.87 2.04 2zebB1 LYS 146 HB3 -0.03 -0.02 0.03 -0.04 1.79 1.72 2zebB1 LYS 146 HG2 -0.01 -0.12 -0.28 -0.04 1.46 1.01 2zebB1 LYS 146 HG3 -0.01 0.14 -0.12 -0.04 1.46 1.43 2zebB1 LYS 146 HD2 0.01 0.22 -0.05 -0.04 1.69 1.83 2zebB1 LYS 146 HD3 0.02 -0.08 -0.12 -0.04 1.68 1.45 2zebB1 LYS 146 HE2 0.05 0.01 -0.06 -0.04 2.99 2.95 2zebB1 LYS 146 HE3 0.04 0.04 -0.03 -0.04 2.99 2.99 2zebB1 GLN 147 H 0.04 0.57 0.35 -0.55 8.47 8.88 2zebB1 GLN 147 HA -0.10 0.32 0.91 -0.75 4.36 4.73 2zebB1 GLN 147 HB2 0.34 -0.08 -0.01 -0.04 2.15 2.36 2zebB1 GLN 147 HB3 0.14 0.01 -0.13 -0.04 2.02 2.00 2zebB1 GLN 147 HG2 0.17 0.21 -0.11 -0.04 2.40 2.63 2zebB1 GLN 147 HG3 0.37 -0.08 -0.15 -0.04 2.39 2.48 2zebB1 GLN 147 HE21 -0.09 -0.05 -0.08 -0.04 6.97 6.71 2zebB1 GLN 147 HE22 0.44 -0.04 -0.13 -0.04 7.69 7.92 2zebB1 VAL 148 H 0.10 0.44 0.29 -0.55 8.24 8.53 2zebB1 VAL 148 HA 0.08 0.02 0.44 -0.75 4.13 3.93 2zebB1 VAL 148 HB 0.01 0.18 -0.21 -0.04 2.12 2.07 2zebB1 VAL 148 HG13 -0.03 -0.00 -0.15 -0.04 0.97 0.74 2zebB1 VAL 148 HG23 -0.06 0.04 0.08 -0.04 0.95 0.97 2zebB1 LYS 149 H -0.48 0.12 0.14 -0.55 8.42 7.64 2zebB1 LYS 149 HA -1.11 0.32 0.95 -0.75 4.32 3.73 2zebB1 LYS 149 HB2 -2.18 -0.03 0.08 -0.04 1.87 -0.31 2zebB1 LYS 149 HB3 -0.64 -0.05 0.15 -0.04 1.79 1.21 2zebB1 LYS 149 HG2 -0.42 -0.02 -0.20 -0.04 1.46 0.78 2zebB1 LYS 149 HG3 -0.84 0.10 0.06 -0.04 1.46 0.75 2zebB1 LYS 149 HD2 -0.28 -0.01 -0.03 -0.04 1.69 1.33 2zebB1 LYS 149 HD3 -0.25 -0.02 -0.02 -0.04 1.68 1.35 2zebB1 LYS 149 HE2 -0.05 -0.06 0.00 -0.04 2.99 2.84 2zebB1 LYS 149 HE3 -0.01 -0.01 -0.02 -0.04 2.99 2.90 2zebB1 VAL 150 H -0.33 0.65 0.26 -0.55 8.24 8.26 2zebB1 VAL 150 HA -0.15 0.19 0.96 -0.75 4.13 4.37 2zebB1 VAL 150 HB -0.10 -0.03 -0.21 -0.04 2.12 1.73 2zebB1 VAL 150 HG13 -0.07 -0.01 -0.44 -0.04 0.97 0.42 2zebB1 VAL 150 HG23 -0.16 0.01 -0.24 -0.04 0.95 0.52 2zebB1 PRO 151 HA -0.08 0.08 0.64 -0.51 4.44 4.57 2zebB1 PRO 151 HB2 -0.05 0.10 -0.01 -0.04 2.28 2.29 2zebB1 PRO 151 HB3 -0.06 0.02 0.09 -0.04 2.02 2.03 2zebB1 PRO 151 HG2 -0.06 0.02 0.06 -0.04 2.03 2.01 2zebB1 PRO 151 HG3 -0.05 0.03 -0.00 -0.04 2.03 1.97 2zebB1 PRO 151 HD2 -0.08 0.02 0.20 -0.04 3.68 3.77 2zebB1 PRO 151 HD3 -0.10 0.18 0.10 -0.04 3.65 3.79 2zebB1 ILE 152 H -0.05 0.13 0.24 -0.55 8.25 8.02 2zebB1 ILE 152 HA -0.08 0.17 0.80 -0.75 4.18 4.31 2zebB1 ILE 152 HB -0.01 -0.09 0.09 -0.04 1.89 1.84 2zebB1 ILE 152 HG12 -0.01 0.04 -0.07 -0.04 1.49 1.41 2zebB1 ILE 152 HG13 -0.09 0.07 -0.02 -0.04 1.21 1.13 2zebB1 ILE 152 HG23 0.01 0.09 -0.33 -0.04 0.93 0.66 2zebB1 ILE 152 HD13 -0.14 -0.02 -0.16 -0.04 0.88 0.52 2zebB1 MET 153 H -0.04 0.72 0.36 -0.55 8.47 8.96 2zebB1 MET 153 HA -0.04 0.07 0.87 -0.75 4.52 4.67 2zebB1 MET 153 HB2 -0.04 0.06 -0.16 -0.04 2.15 1.97 2zebB1 MET 153 HB3 -0.04 0.04 -0.03 -0.04 2.03 1.97 2zebB1 MET 153 HG2 -0.07 0.15 -0.07 -0.04 2.63 2.60 2zebB1 MET 153 HG3 -0.06 -0.08 0.07 -0.04 2.56 2.44 2zebB1 MET 153 HE3 -0.03 0.01 -0.07 -0.04 2.10 1.98 2zebB1 GLU 154 H -0.07 0.09 0.17 -0.55 8.60 8.24 2zebB1 GLU 154 HA -0.01 0.26 0.79 -0.75 4.29 4.57 2zebB1 GLU 154 HB2 -0.14 -0.01 0.18 -0.04 2.09 2.08 2zebB1 GLU 154 HB3 -0.05 -0.12 0.09 -0.04 1.99 1.87 2zebB1 GLU 154 HG2 0.04 0.06 0.10 -0.04 2.34 2.50 2zebB1 GLU 154 HG3 0.01 0.05 0.06 -0.04 2.34 2.42 2zebB1 ASN 155 H 0.01 0.23 0.21 -0.55 8.53 8.43 2zebB1 ASN 155 HA -0.02 0.10 0.33 -0.75 4.76 4.42 2zebB1 ASN 155 HB2 0.05 -0.05 0.17 -0.04 2.88 3.02 2zebB1 ASN 155 HB3 0.04 0.07 -0.08 -0.04 2.79 2.77 2zebB1 ASN 155 HD21 0.02 0.40 0.01 -0.04 7.03 7.42 2zebB1 ASN 155 HD22 0.03 -0.02 -0.18 -0.04 7.74 7.53 2zebB1 HIS 156 H 0.08 0.11 -0.04 -0.55 8.41 8.01 2zebB1 HIS 156 HA 0.03 0.12 0.35 -0.75 4.63 4.37 2zebB1 HIS 156 HB2 0.02 0.07 0.08 -0.04 3.26 3.38 2zebB1 HIS 156 HB3 0.02 0.01 0.11 -0.04 3.20 3.30 2zebB1 HIS 156 HD2 0.01 0.02 -0.31 -0.04 6.97 6.65 2zebB1 HIS 156 HE1 0.01 0.03 0.01 -0.04 7.75 7.75 2zebB1 ILE 157 H -0.67 0.05 -0.43 -0.55 8.25 6.66 2zebB1 ILE 157 HA -0.12 0.09 0.51 -0.75 4.18 3.91 2zebB1 ILE 157 HB -0.27 0.07 0.12 -0.04 1.89 1.76 2zebB1 ILE 157 HG12 -1.40 -0.10 -0.01 -0.04 1.49 -0.06 2zebB1 ILE 157 HG13 -0.19 0.02 0.04 -0.04 1.21 1.03 2zebB1 ILE 157 HG23 -0.06 0.02 -0.10 -0.04 0.93 0.74 2zebB1 ILE 157 HD13 0.09 0.02 -0.01 -0.04 0.88 0.94 2zebB1 CYS 158 H -0.09 0.54 -0.02 -0.55 8.50 8.38 2zebB1 CYS 158 HA 0.05 0.05 0.47 -0.75 4.58 4.39 2zebB1 CYS 158 HB2 -0.03 0.06 0.01 -0.04 2.97 2.97 2zebB1 CYS 158 HB3 -0.03 0.05 0.05 -0.04 2.97 3.00 2zebB1 ASP 159 H 0.03 0.75 -0.10 -0.55 8.40 8.54 2zebB1 ASP 159 HA 0.10 -0.05 0.45 -0.75 4.63 4.38 2zebB1 ASP 159 HB2 0.08 0.06 0.14 -0.04 2.71 2.94 2zebB1 ASP 159 HB3 0.10 0.08 0.16 -0.04 2.70 3.00 2zebB1 ALA 160 H 0.10 0.45 -0.14 -0.55 8.40 8.27 2zebB1 ALA 160 HA 0.15 0.05 0.40 -0.75 4.34 4.18 2zebB1 ALA 160 HB3 0.07 -0.01 0.13 -0.04 1.41 1.56 2zebB1 LYS 161 H 0.09 0.61 -0.12 -0.55 8.42 8.45 2zebB1 LYS 161 HA 0.03 -0.08 0.48 -0.75 4.32 4.01 2zebB1 LYS 161 HB2 0.07 0.08 0.22 -0.04 1.87 2.20 2zebB1 LYS 161 HB3 -0.01 0.20 -0.00 -0.04 1.79 1.94 2zebB1 LYS 161 HG2 -0.02 -0.06 0.09 -0.04 1.46 1.43 2zebB1 LYS 161 HG3 0.01 -0.04 0.06 -0.04 1.46 1.45 2zebB1 LYS 161 HD2 -0.00 -0.01 -0.08 -0.04 1.69 1.56 2zebB1 LYS 161 HD3 -0.02 -0.02 -0.05 -0.04 1.68 1.55 2zebB1 LYS 161 HE2 -0.01 -0.02 -0.00 -0.04 2.99 2.91 2zebB1 LYS 161 HE3 -0.02 -0.01 -0.02 -0.04 2.99 2.89 2zebB1 TYR 162 H 0.31 0.44 -0.12 -0.55 8.29 8.36 2zebB1 TYR 162 HA -0.03 0.15 0.44 -0.75 4.56 4.37 2zebB1 TYR 162 HB2 -0.00 0.09 0.16 -0.04 3.06 3.26 2zebB1 TYR 162 HB3 -0.08 -0.10 0.02 -0.04 2.98 2.78 2zebB1 TYR 162 HD2 -0.02 0.08 0.05 -0.04 7.15 7.21 2zebB1 TYR 162 HE2 -0.13 -0.04 -0.05 -0.04 6.85 6.59 2zebB1 HIS 163 H 0.25 0.36 -0.60 -0.55 8.41 7.87 2zebB1 HIS 163 HA 0.07 0.04 0.68 -0.75 4.63 4.67 2zebB1 HIS 163 HB2 0.05 0.12 0.11 -0.04 3.26 3.51 2zebB1 HIS 163 HB3 0.04 -0.09 0.01 -0.04 3.20 3.12 2zebB1 HIS 163 HD2 0.06 0.17 -0.42 -0.04 6.97 6.73 2zebB1 HIS 163 HE1 0.07 -0.23 -0.04 -0.04 7.75 7.50 2zebB1 LEU 164 H 0.07 0.46 -0.03 -0.55 8.37 8.32 2zebB1 LEU 164 HA 0.02 -0.12 0.56 -0.75 4.35 4.06 2zebB1 LEU 164 HB2 -0.02 0.49 0.32 -0.04 1.64 2.38 2zebB1 LEU 164 HB3 -0.03 -0.08 -0.00 -0.04 1.64 1.49 2zebB1 LEU 164 HG -0.01 -0.09 0.05 -0.04 1.64 1.55 2zebB1 LEU 164 HD13 0.03 0.02 0.02 -0.04 0.93 0.96 2zebB1 LEU 164 HD23 -0.00 -0.03 0.09 -0.04 0.89 0.91 2zebB1 GLY 165 H -0.03 0.06 0.23 -0.55 8.43 8.15 2zebB1 GLY 165 HA2 -0.09 -0.07 0.33 -0.51 4.01 3.66 2zebB1 GLY 165 HA3 -0.07 0.05 0.42 -0.51 4.01 3.90 2zebB1 ALA 166 H -0.05 0.42 -0.06 -0.55 8.40 8.16 2zebB1 ALA 166 HA -0.12 0.09 0.76 -0.75 4.34 4.30 2zebB1 ALA 166 HB3 -0.01 0.03 -0.02 -0.04 1.41 1.37 2zebB1 TYR 167 H 0.08 0.12 0.13 -0.55 8.29 8.07 2zebB1 TYR 167 HA 0.03 0.13 0.57 -0.75 4.56 4.54 2zebB1 TYR 167 HB2 0.02 -0.02 0.08 -0.04 3.06 3.10 2zebB1 TYR 167 HB3 0.02 -0.02 0.04 -0.04 2.98 2.98 2zebB1 TYR 167 HD2 0.02 0.00 0.03 -0.04 7.15 7.16 2zebB1 TYR 167 HE2 0.01 -0.00 -0.02 -0.04 6.85 6.80 2zebB1 THR 168 H 0.11 0.02 -0.13 -0.55 8.28 7.73 2zebB1 THR 168 HA 0.12 -0.08 0.26 -0.75 4.39 3.94 2zebB1 THR 168 HB -0.00 0.11 -0.06 -0.04 4.32 4.32 2zebB1 THR 168 HG23 0.10 0.03 -0.08 -0.04 1.22 1.23 2zebB1 GLY 169 H 0.12 0.02 0.16 -0.55 8.43 8.18 2zebB1 GLY 169 HA2 0.09 0.08 0.45 -0.51 4.01 4.13 2zebB1 GLY 169 HA3 0.08 -0.06 0.36 -0.51 4.01 3.88 2zebB1 ASP 170 H 0.03 0.12 0.19 -0.55 8.40 8.19 2zebB1 ASP 170 HA -0.43 0.19 0.35 -0.75 4.63 3.98 2zebB1 ASP 170 HB2 -0.05 -0.08 0.11 -0.04 2.71 2.65 2zebB1 ASP 170 HB3 -0.12 0.00 0.04 -0.04 2.70 2.57 2zebB1 ASP 171 H -0.01 -0.04 -0.40 -0.55 8.40 7.40 2zebB1 ASP 171 HA -0.04 0.17 0.52 -0.75 4.63 4.52 2zebB1 ASP 171 HB2 0.01 -0.04 -0.01 -0.04 2.71 2.62 2zebB1 ASP 171 HB3 0.01 0.01 0.04 -0.04 2.70 2.72 2zebB1 VAL 172 H 0.09 0.41 -0.33 -0.55 8.24 7.86 2zebB1 VAL 172 HA 0.07 0.03 0.67 -0.75 4.13 4.14 2zebB1 VAL 172 HB 0.19 0.14 0.06 -0.04 2.12 2.47 2zebB1 VAL 172 HG13 0.07 0.02 -0.14 -0.04 0.97 0.88 2zebB1 VAL 172 HG23 0.07 -0.06 0.00 -0.04 0.95 0.92 2zebB1 ARG 173 H 0.08 0.08 0.08 -0.55 8.46 8.14 2zebB1 ARG 173 HA 0.17 0.07 0.27 -0.75 4.34 4.10 2zebB1 ARG 173 HB2 0.06 -0.03 0.07 -0.04 1.90 1.95 2zebB1 ARG 173 HB3 0.07 0.01 -0.27 -0.04 1.80 1.57 2zebB1 ARG 173 HG2 0.07 0.05 -0.08 -0.04 1.67 1.66 2zebB1 ARG 173 HG3 0.05 -0.04 -0.02 -0.04 1.67 1.61 2zebB1 ARG 173 HD2 0.06 0.03 -0.04 -0.04 3.22 3.23 2zebB1 ARG 173 HD3 0.09 -0.06 -0.02 -0.04 3.22 3.19 2zebB1 ILE 174 H 0.18 0.06 0.13 -0.55 8.25 8.06 2zebB1 ILE 174 HA 0.07 0.19 0.84 -0.75 4.18 4.53 2zebB1 ILE 174 HB 0.01 0.00 0.10 -0.04 1.89 1.97 2zebB1 ILE 174 HG12 -0.02 -0.04 -0.14 -0.04 1.49 1.26 2zebB1 ILE 174 HG13 -0.11 0.14 -0.19 -0.04 1.21 1.01 2zebB1 ILE 174 HG23 0.12 -0.01 -0.12 -0.04 0.93 0.88 2zebB1 ILE 174 HD13 -0.31 -0.01 -0.16 -0.04 0.88 0.37 2zebB1 VAL 175 H 0.05 0.05 0.09 -0.55 8.24 7.88 2zebB1 VAL 175 HA 0.07 0.14 0.75 -0.75 4.13 4.33 2zebB1 VAL 175 HB -0.02 -0.05 0.08 -0.04 2.12 2.09 2zebB1 VAL 175 HG13 -0.05 0.02 -0.20 -0.04 0.97 0.70 2zebB1 VAL 175 HG23 -0.32 0.01 -0.20 -0.04 0.95 0.40 2zebB1 ARG 176 H 0.07 0.17 0.05 -0.55 8.46 8.20 2zebB1 ARG 176 HA 0.03 0.15 0.39 -0.75 4.34 4.15 2zebB1 ARG 176 HB2 0.02 0.07 0.04 -0.04 1.90 1.99 2zebB1 ARG 176 HB3 -0.04 -0.21 0.10 -0.04 1.80 1.61 2zebB1 ARG 176 HG2 0.00 0.03 0.01 -0.04 1.67 1.67 2zebB1 ARG 176 HG3 0.02 -0.02 -0.07 -0.04 1.67 1.56 2zebB1 ARG 176 HD2 0.04 -0.00 -0.35 -0.04 3.22 2.87 2zebB1 ARG 176 HD3 0.04 0.06 -0.07 -0.04 3.22 3.22 2zebB1 ASP 177 H -0.01 0.16 0.16 -0.55 8.40 8.16 2zebB1 ASP 177 HA 0.02 0.16 0.48 -0.75 4.63 4.53 2zebB1 ASP 177 HB2 0.07 -0.01 0.14 -0.04 2.71 2.86 2zebB1 ASP 177 HB3 0.13 0.05 0.11 -0.04 2.70 2.96 2zebB1 ASP 178 H -0.25 0.02 -0.16 -0.55 8.40 7.46 2zebB1 ASP 178 HA -0.48 0.23 0.81 -0.75 4.63 4.43 2zebB1 ASP 178 HB2 -0.36 0.00 0.19 -0.04 2.71 2.50 2zebB1 ASP 178 HB3 -1.79 0.04 0.09 -0.04 2.70 1.00 2zebB1 MET 179 H -0.03 0.32 -0.50 -0.55 8.47 7.72 2zebB1 MET 179 HA 0.06 0.28 1.06 -0.75 4.52 5.17 2zebB1 MET 179 HB2 0.03 0.09 -0.03 -0.04 2.15 2.20 2zebB1 MET 179 HB3 0.03 -0.03 0.07 -0.04 2.03 2.05 2zebB1 MET 179 HG2 0.18 0.05 -0.14 -0.04 2.63 2.68 2zebB1 MET 179 HG3 0.06 -0.21 -0.28 -0.04 2.56 2.09 2zebB1 MET 179 HE3 0.12 0.11 -0.11 -0.04 2.10 2.18 2zebB1 LEU 180 H 0.05 0.30 0.27 -0.55 8.37 8.44 2zebB1 LEU 180 HA 0.01 0.09 0.68 -0.75 4.35 4.38 2zebB1 LEU 180 HB2 0.04 0.10 -0.20 -0.04 1.64 1.54 2zebB1 LEU 180 HB3 0.03 -0.06 -0.19 -0.04 1.64 1.38 2zebB1 LEU 180 HG -0.03 0.06 -0.01 -0.04 1.64 1.62 2zebB1 LEU 180 HD13 -0.05 0.02 -0.13 -0.04 0.93 0.72 2zebB1 LEU 180 HD23 -0.23 -0.03 -0.56 -0.04 0.89 0.03 2zebB1 CYS 181 H -0.02 0.22 0.14 -0.55 8.50 8.29 2zebB1 CYS 181 HA 0.05 0.37 1.17 -0.75 4.58 5.41 2zebB1 CYS 181 HB2 -0.03 -0.08 0.00 -0.04 2.97 2.82 2zebB1 CYS 181 HB3 -0.01 0.12 -0.07 -0.04 2.97 2.96 2zebB1 ALA 182 H 0.08 0.60 0.26 -0.55 8.40 8.79 2zebB1 ALA 182 HA -0.07 0.24 0.69 -0.75 4.34 4.45 2zebB1 ALA 182 HB3 -0.26 -0.02 -0.24 -0.04 1.41 0.86 2zebB1 GLY 183 H -0.05 0.52 0.16 -0.55 8.43 8.52 2zebB1 GLY 183 HA2 -0.04 -0.00 0.36 -0.51 4.01 3.82 2zebB1 GLY 183 HA3 0.00 0.11 1.02 -0.51 4.01 4.63 2zebB1 ASN 184 H -0.03 0.51 0.38 -0.55 8.53 8.84 2zebB1 ASN 184 HA -0.03 0.19 0.47 -0.75 4.76 4.63 2zebB1 ASN 184 HB2 -0.03 -0.14 0.25 -0.04 2.88 2.92 2zebB1 ASN 184 HB3 -0.04 0.14 0.06 -0.04 2.79 2.92 2zebB1 ASN 184 HD21 -0.05 0.05 0.01 -0.04 7.03 7.00 2zebB1 ASN 184 HD22 -0.04 0.04 -0.01 -0.04 7.74 7.69 2zebB1 THR 185 H -0.03 0.14 0.10 -0.55 8.28 7.95 2zebB1 THR 185 HA -0.03 0.22 0.24 -0.75 4.39 4.07 2zebB1 THR 185 HB -0.02 0.08 0.15 -0.04 4.32 4.49 2zebB1 THR 185 HG23 -0.03 0.00 -0.15 -0.04 1.22 1.00 2zebB1 ARG 186 H -0.03 -0.21 -0.70 -0.55 8.46 6.96 2zebB1 ARG 186 HA -0.01 0.24 0.80 -0.75 4.34 4.61 2zebB1 ARG 186 HB2 -0.02 -0.07 -0.18 -0.04 1.90 1.59 2zebB1 ARG 186 HB3 -0.03 -0.01 -0.06 -0.04 1.80 1.66 2zebB1 ARG 186 HG2 -0.02 -0.00 0.02 -0.04 1.67 1.64 2zebB1 ARG 186 HG3 -0.01 0.06 0.07 -0.04 1.67 1.75 2zebB1 ARG 186 HD2 -0.01 -0.00 -0.03 -0.04 3.22 3.13 2zebB1 ARG 186 HD3 -0.02 -0.03 -0.02 -0.04 3.22 3.11 2zebB1 ARG 187 H -0.03 -0.07 -0.00 -0.55 8.46 7.81 2zebB1 ARG 187 HA -0.03 0.48 0.88 -0.75 4.34 4.92 2zebB1 ARG 187 HB2 -0.06 -0.19 0.14 -0.04 1.90 1.74 2zebB1 ARG 187 HB3 -0.08 0.12 0.01 -0.04 1.80 1.82 2zebB1 ARG 187 HG2 -0.06 0.05 -0.03 -0.04 1.67 1.60 2zebB1 ARG 187 HG3 -0.04 -0.22 -0.49 -0.04 1.67 0.87 2zebB1 ARG 187 HD2 -0.07 -0.14 0.02 -0.04 3.22 2.99 2zebB1 ARG 187 HD3 -0.12 0.46 0.15 -0.04 3.22 3.66 2zebB1 ASP 188 H -0.01 0.61 0.19 -0.55 8.40 8.65 2zebB1 ASP 188 HA 0.02 0.00 0.52 -0.75 4.63 4.42 2zebB1 ASP 188 HB2 -0.01 0.13 -0.50 -0.04 2.71 2.29 2zebB1 ASP 188 HB3 -0.00 0.03 -0.23 -0.04 2.70 2.45 2zebB1 SER 189 H 0.02 0.09 0.12 -0.55 8.46 8.15 2zebB1 SER 189 HA 0.00 0.24 0.72 -0.75 4.49 4.70 2zebB1 SER 189 HB2 -0.04 0.01 -0.03 -0.04 3.95 3.85 2zebB1 SER 189 HB3 0.03 0.04 -0.05 -0.04 3.93 3.90 2zebB1 CYS 190 H 0.02 0.24 0.00 -0.55 8.50 8.21 2zebB1 CYS 190 HA 0.01 0.15 0.50 -0.75 4.58 4.49 2zebB1 CYS 190 HB2 0.02 0.09 -0.52 -0.04 2.97 2.53 2zebB1 CYS 190 HB3 0.05 0.20 -0.19 -0.04 2.97 2.99 2zebB1 GLN 191 H 0.05 0.13 0.04 -0.55 8.47 8.15 2zebB1 GLN 191 HA 0.09 0.02 0.45 -0.75 4.36 4.17 2zebB1 GLN 191 HB2 0.06 -0.01 0.14 -0.04 2.15 2.30 2zebB1 GLN 191 HB3 0.08 -0.01 0.11 -0.04 2.02 2.16 2zebB1 GLN 191 HG2 0.11 0.08 -0.03 -0.04 2.40 2.52 2zebB1 GLN 191 HG3 0.09 0.01 0.07 -0.04 2.39 2.52 2zebB1 GLN 191 HE21 0.06 0.00 0.01 -0.04 6.97 7.00 2zebB1 GLN 191 HE22 0.07 0.04 0.02 -0.04 7.69 7.78 2zebB1 GLY 192 H 0.13 0.14 0.24 -0.55 8.43 8.39 2zebB1 GLY 192 HA2 0.19 0.23 0.29 -0.51 4.01 4.21 2zebB1 GLY 192 HA3 0.21 0.18 0.71 -0.51 4.01 4.59 2zebB1 ASP 193 H 0.10 0.57 -0.23 -0.55 8.40 8.30 2zebB1 ASP 193 HA 0.11 0.09 0.80 -0.75 4.63 4.88 2zebB1 ASP 193 HB2 0.02 0.08 0.07 -0.04 2.71 2.85 2zebB1 ASP 193 HB3 0.01 0.02 0.02 -0.04 2.70 2.71 2zebB1 SER 194 H 0.09 -0.04 -0.01 -0.55 8.46 7.95 2zebB1 SER 194 HA 0.05 0.02 0.26 -0.75 4.49 4.06 2zebB1 SER 194 HB2 0.12 0.01 0.13 -0.04 3.95 4.16 2zebB1 SER 194 HB3 0.04 0.05 -0.00 -0.04 3.93 3.97 2zebB1 GLY 195 H -0.01 0.65 0.34 -0.55 8.43 8.85 2zebB1 GLY 195 HA2 -0.05 -0.12 0.45 -0.51 4.01 3.77 2zebB1 GLY 195 HA3 -0.07 0.18 0.63 -0.51 4.01 4.24 2zebB1 GLY 196 H 0.02 0.42 -0.36 -0.55 8.43 7.96 2zebB1 GLY 196 HA2 0.05 0.15 0.48 -0.51 4.01 4.18 2zebB1 GLY 196 HA3 0.04 0.13 0.41 -0.51 4.01 4.08 2zebB1 PRO 197 HA 0.04 0.22 0.46 -0.51 4.44 4.65 2zebB1 PRO 197 HB2 0.04 -0.04 -0.12 -0.04 2.28 2.12 2zebB1 PRO 197 HB3 0.01 0.04 -0.02 -0.04 2.02 2.01 2zebB1 PRO 197 HG2 0.28 -0.04 0.06 -0.04 2.03 2.29 2zebB1 PRO 197 HG3 0.22 0.14 0.07 -0.04 2.03 2.41 2zebB1 PRO 197 HD2 -0.03 0.07 0.29 -0.04 3.68 3.97 2zebB1 PRO 197 HD3 0.06 0.21 0.36 -0.04 3.65 4.23 2zebB1 LEU 198 H -0.01 0.49 0.25 -0.55 8.37 8.56 2zebB1 LEU 198 HA -0.06 0.34 0.98 -0.75 4.35 4.86 2zebB1 LEU 198 HB2 -0.14 0.01 -0.08 -0.04 1.64 1.39 2zebB1 LEU 198 HB3 -0.14 -0.11 0.07 -0.04 1.64 1.43 2zebB1 LEU 198 HG -0.27 -0.08 -0.36 -0.04 1.64 0.89 2zebB1 LEU 198 HD13 -0.23 0.08 -0.26 -0.04 0.93 0.47 2zebB1 LEU 198 HD23 -0.78 -0.01 -0.24 -0.04 0.89 -0.18 2zebB1 VAL 199 H 0.01 0.66 0.32 -0.55 8.24 8.69 2zebB1 VAL 199 HA 0.02 0.23 1.41 -0.75 4.13 5.04 2zebB1 VAL 199 HB 0.41 0.01 -0.04 -0.04 2.12 2.46 2zebB1 VAL 199 HG13 -0.14 -0.02 -0.30 -0.04 0.97 0.47 2zebB1 VAL 199 HG23 0.12 -0.00 -0.01 -0.04 0.95 1.01 2zebB1 CYS 200 H 0.20 0.55 0.42 -0.55 8.50 9.12 2zebB1 CYS 200 HA 0.38 0.41 1.09 -0.75 4.58 5.71 2zebB1 CYS 200 HB2 0.36 -0.05 0.01 -0.04 2.97 3.25 2zebB1 CYS 200 HB3 0.23 0.02 -0.11 -0.04 2.97 3.08 2zebB1 LYS 201 H 0.02 0.49 0.23 -0.55 8.42 8.60 2zebB1 LYS 201 HA -0.46 0.20 0.65 -0.75 4.32 3.96 2zebB1 LYS 201 HB2 -0.80 0.06 0.12 -0.04 1.87 1.20 2zebB1 LYS 201 HB3 -0.33 -0.05 0.14 -0.04 1.79 1.51 2zebB1 LYS 201 HG2 -0.82 -0.01 -0.36 -0.04 1.46 0.24 2zebB1 LYS 201 HG3 -2.32 0.01 -0.15 -0.04 1.46 -1.04 2zebB1 LYS 201 HD2 -0.32 0.01 -0.04 -0.04 1.69 1.30 2zebB1 LYS 201 HD3 -0.30 -0.09 -0.12 -0.04 1.68 1.12 2zebB1 LYS 201 HE2 -0.20 0.01 -0.06 -0.04 2.99 2.69 2zebB1 LYS 201 HE3 -0.14 -0.01 -0.06 -0.04 2.99 2.74 2zebB1 VAL 202 H -0.05 0.91 0.29 -0.55 8.24 8.84 2zebB1 VAL 202 HA -0.03 0.14 0.99 -0.75 4.13 4.48 2zebB1 VAL 202 HB 0.02 0.07 0.09 -0.04 2.12 2.26 2zebB1 VAL 202 HG13 -0.05 -0.01 -0.08 -0.04 0.97 0.78 2zebB1 VAL 202 HG23 0.12 0.03 -0.21 -0.04 0.95 0.85 2zebB1 ASN 203 H -0.04 0.18 0.14 -0.55 8.53 8.26 2zebB1 ASN 203 HA -0.04 0.03 0.34 -0.75 4.76 4.33 2zebB1 ASN 203 HB2 -0.03 -0.05 -0.20 -0.04 2.88 2.56 2zebB1 ASN 203 HB3 -0.02 0.11 0.23 -0.04 2.79 3.07 2zebB1 ASN 203 HD21 -0.02 -0.02 0.03 -0.04 7.03 6.99 2zebB1 ASN 203 HD22 -0.01 0.03 0.06 -0.04 7.74 7.78 2zebB1 GLY 204 H -0.10 0.06 -0.38 -0.55 8.43 7.47 2zebB1 GLY 204 HA2 -0.12 -0.02 0.18 -0.51 4.01 3.54 2zebB1 GLY 204 HA3 -0.06 0.09 0.34 -0.51 4.01 3.88 2zebB1 THR 205 H -0.08 0.44 -0.49 -0.55 8.28 7.60 2zebB1 THR 205 HA 0.00 0.15 0.94 -0.75 4.39 4.74 2zebB1 THR 205 HB 0.02 0.07 0.02 -0.04 4.32 4.39 2zebB1 THR 205 HG23 0.09 0.03 -0.11 -0.04 1.22 1.19 2zebB1 TRP 206 H 0.26 0.15 0.12 -0.55 7.97 7.96 2zebB1 TRP 206 HA 0.14 0.17 0.66 -0.75 4.62 4.83 2zebB1 TRP 206 HB2 0.14 -0.01 0.14 -0.04 3.23 3.46 2zebB1 TRP 206 HB3 0.08 0.02 -0.06 -0.04 3.23 3.23 2zebB1 TRP 206 HD1 0.27 0.03 0.02 -0.04 7.22 7.51 2zebB1 TRP 206 HE1 0.02 0.01 -0.04 -0.04 10.20 10.16 2zebB1 TRP 206 HE3 0.30 0.01 -0.41 -0.04 7.59 7.45 2zebB1 TRP 206 HZ2 -0.09 -0.00 -0.07 -0.04 7.44 7.24 2zebB1 TRP 206 HZ3 0.53 0.15 -0.14 -0.04 7.13 7.63 2zebB1 TRP 206 HH2 0.11 -0.00 -0.10 -0.04 7.19 7.16 2zebB1 LEU 207 H 0.28 0.67 0.43 -0.55 8.37 9.20 2zebB1 LEU 207 HA 0.06 0.34 0.87 -0.75 4.35 4.86 2zebB1 LEU 207 HB2 0.35 -0.09 0.04 -0.04 1.64 1.90 2zebB1 LEU 207 HB3 0.23 0.04 -0.08 -0.04 1.64 1.78 2zebB1 LEU 207 HG 0.12 0.03 -0.41 -0.04 1.64 1.35 2zebB1 LEU 207 HD13 0.10 -0.03 -0.04 -0.04 0.93 0.92 2zebB1 LEU 207 HD23 0.08 0.03 -0.22 -0.04 0.89 0.74 2zebB1 GLN 208 H -0.04 0.56 0.18 -0.55 8.47 8.63 2zebB1 GLN 208 HA -0.10 0.14 1.01 -0.75 4.36 4.64 2zebB1 GLN 208 HB2 -0.20 -0.02 -0.01 -0.04 2.15 1.87 2zebB1 GLN 208 HB3 -0.06 0.02 0.10 -0.04 2.02 2.04 2zebB1 GLN 208 HG2 -0.03 -0.05 -0.30 -0.04 2.40 1.98 2zebB1 GLN 208 HG3 -0.08 0.01 0.05 -0.04 2.39 2.33 2zebB1 GLN 208 HE21 0.03 0.04 -0.18 -0.04 6.97 6.82 2zebB1 GLN 208 HE22 0.02 0.33 -0.10 -0.04 7.69 7.90 2zebB1 ALA 209 H -0.28 0.42 0.38 -0.55 8.40 8.37 2zebB1 ALA 209 HA -0.49 0.06 0.62 -0.75 4.34 3.77 2zebB1 ALA 209 HB3 -1.17 -0.01 0.00 -0.04 1.41 0.19 2zebB1 GLY 210 H -0.15 0.32 0.19 -0.55 8.43 8.25 2zebB1 GLY 210 HA2 0.03 0.36 0.99 -0.51 4.01 4.88 2zebB1 GLY 210 HA3 -0.00 -0.05 0.12 -0.51 4.01 3.57 2zebB1 VAL 211 H 0.13 0.36 0.23 -0.55 8.24 8.41 2zebB1 VAL 211 HA 0.09 0.33 0.80 -0.75 4.13 4.59 2zebB1 VAL 211 HB 0.04 -0.11 0.12 -0.04 2.12 2.12 2zebB1 VAL 211 HG13 0.00 0.09 -0.26 -0.04 0.97 0.77 2zebB1 VAL 211 HG23 0.05 0.02 -0.23 -0.04 0.95 0.76 2zebB1 VAL 212 H 0.06 0.70 0.05 -0.55 8.24 8.50 2zebB1 VAL 212 HA -0.55 0.01 0.34 -0.75 4.13 3.17 2zebB1 VAL 212 HB -0.02 -0.12 0.11 -0.04 2.12 2.04 2zebB1 VAL 212 HG13 -0.14 -0.02 -0.34 -0.04 0.97 0.42 2zebB1 VAL 212 HG23 0.02 0.09 -0.16 -0.04 0.95 0.86 2zebB1 SER 213 H -0.28 0.36 0.41 -0.55 8.46 8.41 2zebB1 SER 213 HA 0.22 0.11 1.09 -0.75 4.49 5.16 2zebB1 SER 213 HB2 0.11 -0.01 0.07 -0.04 3.95 4.08 2zebB1 SER 213 HB3 0.12 0.16 0.13 -0.04 3.93 4.31 2zebB1 TRP 214 H -0.13 0.64 0.38 -0.55 7.97 8.32 2zebB1 TRP 214 HA -0.10 0.11 0.52 -0.75 4.62 4.39 2zebB1 TRP 214 HB2 -0.09 -0.07 0.19 -0.04 3.23 3.22 2zebB1 TRP 214 HB3 -0.14 0.08 -0.19 -0.04 3.23 2.94 2zebB1 TRP 214 HD1 -0.05 -0.07 -0.23 -0.04 7.22 6.82 2zebB1 TRP 214 HE1 -0.07 0.03 -0.16 -0.04 10.20 9.95 2zebB1 TRP 214 HE3 -0.02 -0.03 -0.07 -0.04 7.59 7.43 2zebB1 TRP 214 HZ2 -0.17 0.14 -0.07 -0.04 7.44 7.30 2zebB1 TRP 214 HZ3 0.05 0.02 -0.11 -0.04 7.13 7.05 2zebB1 TRP 214 HH2 -0.19 0.05 -0.09 -0.04 7.19 6.92 2zebB1 GLY 215 H 0.48 0.21 0.17 -0.55 8.43 8.75 2zebB1 GLY 215 HA2 -0.50 0.05 0.29 -0.51 4.01 3.33 2zebB1 GLY 215 HA3 -0.14 0.22 0.52 -0.51 4.01 4.10 2zebB1 GLU 216 H 0.13 0.24 0.05 -0.55 8.60 8.47 2zebB1 GLU 216 HA 0.15 0.03 0.87 -0.75 4.29 4.58 2zebB1 GLU 216 HB2 -0.04 0.07 0.16 -0.04 2.09 2.24 2zebB1 GLU 216 HB3 0.03 0.00 0.03 -0.04 1.99 2.01 2zebB1 GLU 216 HG2 0.21 -0.03 0.01 -0.04 2.34 2.49 2zebB1 GLU 216 HG3 0.42 -0.06 -0.02 -0.04 2.34 2.64 2zebB1 GLY 217 H 0.06 0.12 0.08 -0.55 8.43 8.15 2zebB1 GLY 217 HA2 0.03 -0.04 0.27 -0.51 4.01 3.76 2zebB1 GLY 217 HA3 0.01 0.06 0.41 -0.51 4.01 3.99 2zebB1 CYS 218 H 0.00 0.17 0.07 -0.55 8.50 8.19 2zebB1 CYS 218 HA -0.01 0.21 0.79 -0.75 4.58 4.82 2zebB1 CYS 218 HB2 0.01 -0.08 -0.09 -0.04 2.97 2.77 2zebB1 CYS 218 HB3 0.00 0.15 -0.19 -0.04 2.97 2.89 2zebB1 ALA 219 H -0.02 0.20 0.01 -0.55 8.40 8.04 2zebB1 ALA 219 HA -0.03 0.21 0.19 -0.75 4.34 3.97 2zebB1 ALA 219 HB3 -0.01 0.02 -0.28 -0.04 1.41 1.10 2zebB1 GLN 220 H -0.04 0.10 -0.45 -0.55 8.47 7.53 2zebB1 GLN 220 HA -0.04 0.13 0.62 -0.75 4.36 4.32 2zebB1 GLN 220 HB2 -0.07 0.15 -0.04 -0.04 2.15 2.15 2zebB1 GLN 220 HB3 -0.07 0.08 -0.07 -0.04 2.02 1.92 2zebB1 GLN 220 HG2 -0.02 -0.00 -0.03 -0.04 2.40 2.30 2zebB1 GLN 220 HG3 -0.02 -0.11 -0.16 -0.04 2.39 2.05 2zebB1 GLN 220 HE21 0.00 -0.05 -0.12 -0.04 6.97 6.76 2zebB1 GLN 220 HE22 -0.00 -0.08 -0.02 -0.04 7.69 7.55 2zebB1 PRO 221 HA -0.05 -0.06 0.38 -0.51 4.44 4.19 2zebB1 PRO 221 HB2 -0.05 0.06 0.03 -0.04 2.28 2.27 2zebB1 PRO 221 HB3 -0.04 -0.01 0.06 -0.04 2.02 1.98 2zebB1 PRO 221 HG2 -0.03 0.02 0.08 -0.04 2.03 2.06 2zebB1 PRO 221 HG3 -0.03 0.03 0.09 -0.04 2.03 2.08 2zebB1 PRO 221 HD2 -0.04 0.10 0.18 -0.04 3.68 3.87 2zebB1 PRO 221 HD3 -0.03 0.23 0.24 -0.04 3.65 4.04 2zebB1 ASN 222 H -0.07 0.04 0.11 -0.55 8.53 8.07 2zebB1 ASN 222 HA -0.09 -0.06 0.28 -0.75 4.76 4.14 2zebB1 ASN 222 HB2 -0.11 0.24 -0.15 -0.04 2.88 2.82 2zebB1 ASN 222 HB3 -0.10 0.17 0.18 -0.04 2.79 2.99 2zebB1 ASN 222 HD21 -0.04 -0.06 -0.06 -0.04 7.03 6.83 2zebB1 ASN 222 HD22 -0.05 0.10 -0.17 -0.04 7.74 7.57 2zebB1 ARG 223 H -0.15 0.31 -0.54 -0.55 8.46 7.53 2zebB1 ARG 223 HA -0.85 0.17 0.75 -0.75 4.34 3.66 2zebB1 ARG 223 HB2 -0.18 -0.02 -0.05 -0.04 1.90 1.60 2zebB1 ARG 223 HB3 -0.30 -0.14 0.09 -0.04 1.80 1.40 2zebB1 ARG 223 HG2 -0.26 0.21 -0.46 -0.04 1.67 1.11 2zebB1 ARG 223 HG3 -0.22 -0.08 -0.10 -0.04 1.67 1.24 2zebB1 ARG 223 HD2 -1.14 -0.17 0.02 -0.04 3.22 1.90 2zebB1 ARG 223 HD3 -0.90 0.37 -0.08 -0.04 3.22 2.57 2zebB1 PRO 224 HA -0.01 0.03 0.30 -0.51 4.44 4.24 2zebB1 PRO 224 HB2 0.02 0.09 -0.17 -0.04 2.28 2.18 2zebB1 PRO 224 HB3 -0.00 0.14 -0.10 -0.04 2.02 2.01 2zebB1 PRO 224 HG2 0.14 0.00 -0.06 -0.04 2.03 2.07 2zebB1 PRO 224 HG3 0.03 -0.02 -0.07 -0.04 2.03 1.93 2zebB1 PRO 224 HD2 -0.01 0.24 -0.26 -0.04 3.68 3.61 2zebB1 PRO 224 HD3 -0.04 -0.01 -0.20 -0.04 3.65 3.36 2zebB1 GLY 225 H 0.02 0.16 0.29 -0.55 8.43 8.35 2zebB1 GLY 225 HA2 -0.12 0.10 0.60 -0.51 4.01 4.07 2zebB1 GLY 225 HA3 0.01 -0.06 0.44 -0.51 4.01 3.90 2zebB1 ILE 226 H -0.40 0.58 0.40 -0.55 8.25 8.29 2zebB1 ILE 226 HA -0.06 0.27 1.08 -0.75 4.18 4.71 2zebB1 ILE 226 HB -1.29 -0.04 -0.06 -0.04 1.89 0.46 2zebB1 ILE 226 HG12 -0.42 -0.03 -0.22 -0.04 1.49 0.78 2zebB1 ILE 226 HG13 -0.54 0.22 -0.37 -0.04 1.21 0.48 2zebB1 ILE 226 HG23 -0.26 -0.03 -0.20 -0.04 0.93 0.39 2zebB1 ILE 226 HD13 -1.60 -0.03 -0.16 -0.04 0.88 -0.95 2zebB1 TYR 227 H 0.15 0.55 0.37 -0.55 8.29 8.81 2zebB1 TYR 227 HA -0.01 0.16 0.89 -0.75 4.56 4.84 2zebB1 TYR 227 HB2 -0.05 0.08 -0.06 -0.04 3.06 2.98 2zebB1 TYR 227 HB3 -0.03 -0.08 -0.15 -0.04 2.98 2.67 2zebB1 TYR 227 HD2 -0.07 0.08 -0.37 -0.04 7.15 6.75 2zebB1 TYR 227 HE2 -0.07 0.11 -0.22 -0.04 6.85 6.63 2zebB1 THR 228 H 0.10 0.61 0.33 -0.55 8.28 8.78 2zebB1 THR 228 HA 0.10 0.11 0.80 -0.75 4.39 4.65 2zebB1 THR 228 HB 0.04 -0.04 0.13 -0.04 4.32 4.41 2zebB1 THR 228 HG23 0.03 -0.00 -0.20 -0.04 1.22 1.00 2zebB1 ARG 229 H 0.11 0.95 0.33 -0.55 8.46 9.29 2zebB1 ARG 229 HA 0.09 0.14 0.47 -0.75 4.34 4.29 2zebB1 ARG 229 HB2 0.07 0.10 -0.42 -0.04 1.90 1.61 2zebB1 ARG 229 HB3 0.09 -0.08 0.04 -0.04 1.80 1.80 2zebB1 ARG 229 HG2 0.16 -0.27 -0.15 -0.04 1.67 1.37 2zebB1 ARG 229 HG3 0.13 0.07 -0.03 -0.04 1.67 1.80 2zebB1 ARG 229 HD2 0.13 0.12 0.10 -0.04 3.22 3.52 2zebB1 ARG 229 HD3 0.14 -0.04 0.02 -0.04 3.22 3.30 2zebB1 VAL 230 H 0.10 0.70 0.33 -0.55 8.24 8.81 2zebB1 VAL 230 HA 0.20 -0.02 0.07 -0.75 4.13 3.64 2zebB1 VAL 230 HB 0.08 0.21 0.04 -0.04 2.12 2.41 2zebB1 VAL 230 HG13 0.10 -0.01 -0.13 -0.04 0.97 0.88 2zebB1 VAL 230 HG23 0.07 -0.01 -0.25 -0.04 0.95 0.72 2zebB1 THR 231 H 0.18 0.19 -0.09 -0.55 8.28 8.01 2zebB1 THR 231 HA 0.12 0.08 0.27 -0.75 4.39 4.11 2zebB1 THR 231 HB 0.08 0.01 0.04 -0.04 4.32 4.41 2zebB1 THR 231 HG23 0.17 0.06 0.01 -0.04 1.22 1.42 2zebB1 TYR 232 H 0.20 0.27 -0.35 -0.55 8.29 7.86 2zebB1 TYR 232 HA -0.11 0.03 0.40 -0.75 4.56 4.12 2zebB1 TYR 232 HB2 -0.09 0.04 0.14 -0.04 3.06 3.10 2zebB1 TYR 232 HB3 -0.33 0.15 0.10 -0.04 2.98 2.86 2zebB1 TYR 232 HD2 -0.90 0.07 -0.12 -0.04 7.15 6.16 2zebB1 TYR 232 HE2 -0.18 -0.02 -0.03 -0.04 6.85 6.57 2zebB1 TYR 233 H 0.24 0.55 -0.35 -0.55 8.29 8.18 2zebB1 TYR 233 HA 0.21 0.14 0.91 -0.75 4.56 5.07 2zebB1 TYR 233 HB2 0.16 0.13 -0.01 -0.04 3.06 3.30 2zebB1 TYR 233 HB3 0.30 -0.09 0.10 -0.04 2.98 3.25 2zebB1 TYR 233 HD2 0.04 0.09 -0.06 -0.04 7.15 7.17 2zebB1 TYR 233 HE2 -0.35 0.01 0.01 -0.04 6.85 6.48 2zebB1 LEU 234 H 0.11 0.43 -0.22 -0.55 8.37 8.15 2zebB1 LEU 234 HA -0.04 0.06 0.38 -0.75 4.35 4.00 2zebB1 LEU 234 HB2 0.06 0.08 0.13 -0.04 1.64 1.87 2zebB1 LEU 234 HB3 0.08 -0.02 -0.02 -0.04 1.64 1.64 2zebB1 LEU 234 HG 0.08 0.05 0.01 -0.04 1.64 1.74 2zebB1 LEU 234 HD13 0.09 0.03 -0.11 -0.04 0.93 0.90 2zebB1 LEU 234 HD23 0.02 -0.00 -0.03 -0.04 0.89 0.83 2zebB1 ASP 235 H 0.10 0.15 -0.21 -0.55 8.40 7.90 2zebB1 ASP 235 HA 0.14 0.11 0.37 -0.75 4.63 4.49 2zebB1 ASP 235 HB2 0.11 -0.02 0.06 -0.04 2.71 2.82 2zebB1 ASP 235 HB3 0.10 0.03 -0.04 -0.04 2.70 2.75 2zebB1 TRP 236 H 0.40 0.08 -0.18 -0.55 7.97 7.73 2zebB1 TRP 236 HA 0.09 0.04 0.44 -0.75 4.62 4.44 2zebB1 TRP 236 HB2 0.31 -0.05 0.11 -0.04 3.23 3.55 2zebB1 TRP 236 HB3 0.32 0.13 0.14 -0.04 3.23 3.79 2zebB1 TRP 236 HD1 -0.03 -0.02 0.02 -0.04 7.22 7.15 2zebB1 TRP 236 HE1 -0.04 0.03 -0.05 -0.04 10.20 10.10 2zebB1 TRP 236 HE3 0.16 0.06 -0.13 -0.04 7.59 7.64 2zebB1 TRP 236 HZ2 -0.06 0.03 -0.51 -0.04 7.44 6.86 2zebB1 TRP 236 HZ3 0.03 0.00 -0.24 -0.04 7.13 6.87 2zebB1 TRP 236 HH2 -0.02 0.06 -0.11 -0.04 7.19 7.08 2zebB1 ILE 237 H 0.33 0.58 -0.11 -0.55 8.25 8.50 2zebB1 ILE 237 HA -0.32 -0.02 0.29 -0.75 4.18 3.38 2zebB1 ILE 237 HB -0.20 0.13 0.11 -0.04 1.89 1.89 2zebB1 ILE 237 HG12 0.25 -0.05 -0.05 -0.04 1.49 1.60 2zebB1 ILE 237 HG13 0.45 0.10 -0.03 -0.04 1.21 1.68 2zebB1 ILE 237 HG23 -0.19 0.00 -0.16 -0.04 0.93 0.54 2zebB1 ILE 237 HD13 0.10 -0.01 -0.12 -0.04 0.88 0.81 2zebB1 HIS 238 H -0.08 0.50 -0.21 -0.55 8.41 8.07 2zebB1 HIS 238 HA -0.17 0.25 0.42 -0.75 4.63 4.39 2zebB1 HIS 238 HB2 -0.03 0.01 0.13 -0.04 3.26 3.33 2zebB1 HIS 238 HB3 -0.08 -0.05 0.09 -0.04 3.20 3.12 2zebB1 HIS 238 HD2 0.01 -0.14 -0.10 -0.04 6.97 6.70 2zebB1 HIS 238 HE1 -0.00 0.01 -0.02 -0.04 7.75 7.69 2zebB1 HIS 239 H -0.11 0.38 -0.56 -0.55 8.41 7.58 2zebB1 HIS 239 HA -0.28 0.03 0.62 -0.75 4.63 4.25 2zebB1 HIS 239 HB2 -0.27 -0.00 0.13 -0.04 3.26 3.08 2zebB1 HIS 239 HB3 -0.79 0.12 0.08 -0.04 3.20 2.57 2zebB1 HIS 239 HD2 -1.27 0.01 -0.12 -0.04 6.97 5.54 2zebB1 HIS 239 HE1 -0.12 -0.06 0.01 -0.04 7.75 7.54 2zebB1 TYR 240 H -0.37 0.41 -0.19 -0.55 8.29 7.60 2zebB1 TYR 240 HA -0.35 0.17 0.96 -0.75 4.56 4.59 2zebB1 TYR 240 HB2 -0.92 0.02 0.01 -0.04 3.06 2.13 2zebB1 TYR 240 HB3 -0.73 -0.07 -0.02 -0.04 2.98 2.13 2zebB1 TYR 240 HD2 -0.51 0.05 -0.05 -0.04 7.15 6.60 2zebB1 TYR 240 HE2 -0.57 -0.04 -0.08 -0.04 6.85 6.12 2zebB1 VAL 241 H -0.45 0.57 0.18 -0.55 8.24 7.99 2zebB1 VAL 241 HA -1.06 0.08 0.57 -0.75 4.13 2.96 2zebB1 VAL 241 HB -0.28 -0.00 0.03 -0.04 2.12 1.83 2zebB1 VAL 241 HG13 -0.28 0.04 -0.16 -0.04 0.97 0.52 2zebB1 VAL 241 HG23 -0.91 -0.02 -0.07 -0.04 0.95 -0.08 2zebB1 PRO 242 HA -0.12 0.06 0.25 -0.51 4.44 4.11 2zebB1 PRO 242 HB2 0.02 -0.01 0.06 -0.04 2.28 2.31 2zebB1 PRO 242 HB3 -0.05 -0.05 0.05 -0.04 2.02 1.94 2zebB1 PRO 242 HG2 -0.75 -0.07 0.06 -0.04 2.03 1.22 2zebB1 PRO 242 HG3 -0.08 -0.03 0.06 -0.04 2.03 1.94 2zebB1 PRO 242 HD2 -0.55 0.01 0.27 -0.04 3.68 3.38 2zebB1 PRO 242 HD3 -0.20 0.21 0.08 -0.04 3.65 3.70