============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. TYR 4 0.840 12.840 -3.027 27.024 -99.200 -91.000 PHE 17 1.000 12.686 13.448 -1.516 -99.200 -91.000 PHE 35 1.000 7.469 3.818 0.594 -99.200 -91.000 HIS 43 0.900 10.800 9.662 13.472 -99.200 -91.000 PHE 51 1.000 24.302 9.147 19.671 -99.200 -91.000 TYR 70 0.840 7.554 -6.570 11.512 -99.200 -91.000 HIS 77 0.900 21.546 -0.912 10.267 -99.200 -91.000 HIS 80 0.900 10.754 -5.177 14.606 -99.200 -91.000 PHE 82 1.000 6.630 -1.673 16.465 -99.200 -91.000 PHE 94 1.000 0.063 9.452 2.234 -99.200 -91.000 PHE 111 1.000 -3.247 -0.112 13.962 -99.200 -91.000 HIS 143 0.900 -12.082 5.250 18.706 -99.200 -91.000 TYR 144 0.840 -3.194 3.337 24.300 -99.200 -91.000 PHE 149 1.000 0.155 8.478 27.769 -99.200 -91.000 PHE 162 1.000 15.087 8.243 32.535 -99.200 -91.000 TYR 171 0.840 -3.236 11.124 25.062 -99.200 -91.000 PHE 181 1.000 13.412 13.640 28.302 -99.200 -91.000 TYR 213 0.840 18.036 12.994 34.308 -99.200 -91.000 HIS 227 0.900 20.044 15.904 36.610 -99.200 -91.000 TYR 232 0.840 23.017 22.473 34.222 -99.200 -91.000 PHE 251 1.000 17.626 18.025 23.311 -99.200 -91.000 PHE 255 1.000 18.302 14.699 28.322 -99.200 -91.000 PHE 281 1.000 22.004 12.006 14.455 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3hicA1 SER -2 HA -0.01 -0.16 0.14 -0.75 4.49 3.71 3hicA1 SER -2 HB2 -0.03 0.10 -0.06 -0.04 3.95 3.92 3hicA1 SER -2 HB3 -0.02 -0.08 0.00 -0.04 3.93 3.79 3hicA1 LEU -1 H -0.04 0.08 0.10 -0.55 8.37 7.96 3hicA1 LEU -1 HA -0.15 0.29 0.88 -0.75 4.35 4.62 3hicA1 LEU -1 HB2 -0.13 0.01 -0.19 -0.04 1.64 1.29 3hicA1 LEU -1 HB3 -0.26 -0.06 -0.03 -0.04 1.64 1.25 3hicA1 LEU -1 HG -0.64 0.07 -0.16 -0.04 1.64 0.86 3hicA1 LEU -1 HD13 -0.16 0.08 -0.29 -0.04 0.93 0.51 3hicA1 LEU -1 HD23 -0.21 -0.02 -0.16 -0.04 0.89 0.46 3hicA1 ILE 2 H -0.24 0.39 0.26 -0.55 8.25 8.11 3hicA1 ILE 2 HA -0.10 0.20 1.00 -0.75 4.18 4.53 3hicA1 ILE 2 HB -0.11 -0.00 0.07 -0.04 1.89 1.80 3hicA1 ILE 2 HG12 -0.12 0.06 -0.13 -0.04 1.49 1.26 3hicA1 ILE 2 HG13 -0.13 0.04 -0.15 -0.04 1.21 0.93 3hicA1 ILE 2 HG23 -0.04 -0.01 -0.17 -0.04 0.93 0.67 3hicA1 ILE 2 HD13 -0.14 -0.00 -0.14 -0.04 0.88 0.56 3hicA1 TYR 3 H 0.09 0.31 0.24 -0.55 8.29 8.39 3hicA1 TYR 3 HA -0.01 0.31 1.07 -0.75 4.56 5.18 3hicA1 TYR 3 HB2 0.00 0.00 0.09 -0.04 3.06 3.12 3hicA1 TYR 3 HB3 -0.02 -0.01 -0.02 -0.04 2.98 2.90 3hicA1 TYR 3 HD2 -0.01 0.06 -0.07 -0.04 7.15 7.09 3hicA1 TYR 3 HE2 -0.01 -0.01 -0.13 -0.04 6.85 6.66 3hicA1 THR 4 H 0.08 0.50 0.35 -0.55 8.28 8.66 3hicA1 THR 4 HA 0.07 0.31 1.06 -0.75 4.39 5.07 3hicA1 THR 4 HB 0.05 -0.06 0.10 -0.04 4.32 4.37 3hicA1 THR 4 HG23 0.04 0.01 -0.18 -0.04 1.22 1.05 3hicA1 ILE 5 H 0.03 0.67 0.34 -0.55 8.25 8.74 3hicA1 ILE 5 HA -0.07 0.26 0.98 -0.75 4.18 4.59 3hicA1 ILE 5 HB 0.00 -0.04 0.09 -0.04 1.89 1.90 3hicA1 ILE 5 HG12 -0.04 0.02 -0.21 -0.04 1.49 1.22 3hicA1 ILE 5 HG13 0.02 0.01 -0.52 -0.04 1.21 0.67 3hicA1 ILE 5 HG23 -0.05 -0.03 -0.24 -0.04 0.93 0.57 3hicA1 ILE 5 HD13 -0.03 0.01 -0.16 -0.04 0.88 0.66 3hicA1 THR 6 H -0.09 0.77 0.20 -0.55 8.28 8.60 3hicA1 THR 6 HA -0.02 0.20 0.97 -0.75 4.39 4.79 3hicA1 THR 6 HB 0.15 0.09 0.17 -0.04 4.32 4.68 3hicA1 THR 6 HG23 0.02 -0.01 -0.12 -0.04 1.22 1.07 3hicA1 LEU 7 H -0.09 0.31 -0.02 -0.55 8.37 8.02 3hicA1 LEU 7 HA -0.14 -0.00 0.51 -0.75 4.35 3.97 3hicA1 LEU 7 HB2 -0.27 0.12 -0.02 -0.04 1.64 1.43 3hicA1 LEU 7 HB3 -0.49 -0.03 0.08 -0.04 1.64 1.16 3hicA1 LEU 7 HG -0.13 0.02 -0.11 -0.04 1.64 1.38 3hicA1 LEU 7 HD13 -0.35 0.02 -0.06 -0.04 0.93 0.50 3hicA1 LEU 7 HD23 -0.29 -0.01 -0.07 -0.04 0.89 0.47 3hicA1 ASN 8 H -0.10 0.01 -0.28 -0.55 8.53 7.61 3hicA1 ASN 8 HA -0.20 0.18 0.88 -0.75 4.76 4.86 3hicA1 ASN 8 HB2 -0.19 -0.02 -0.19 -0.04 2.88 2.44 3hicA1 ASN 8 HB3 -0.13 -0.03 0.13 -0.04 2.79 2.72 3hicA1 ASN 8 HD21 -0.10 0.32 0.06 -0.04 7.03 7.27 3hicA1 ASN 8 HD22 -0.11 -0.07 -0.08 -0.04 7.74 7.44 3hicA1 PRO 9 HA -0.02 0.05 0.42 -0.51 4.44 4.38 3hicA1 PRO 9 HB2 -0.04 0.03 0.04 -0.04 2.28 2.26 3hicA1 PRO 9 HB3 0.18 0.01 0.07 -0.04 2.02 2.24 3hicA1 PRO 9 HG2 0.04 -0.13 -0.02 -0.04 2.03 1.88 3hicA1 PRO 9 HG3 0.18 0.04 -0.11 -0.04 2.03 2.10 3hicA1 PRO 9 HD2 -0.08 0.14 0.13 -0.04 3.68 3.82 3hicA1 PRO 9 HD3 0.08 0.23 -0.17 -0.04 3.65 3.75 3hicA1 ALA 10 H -0.06 0.51 0.15 -0.55 8.40 8.45 3hicA1 ALA 10 HA -0.04 0.22 0.58 -0.75 4.34 4.35 3hicA1 ALA 10 HB3 -0.06 -0.01 -0.24 -0.04 1.41 1.05 3hicA1 ILE 11 H -0.05 0.61 0.27 -0.55 8.25 8.52 3hicA1 ILE 11 HA -0.00 0.17 0.97 -0.75 4.18 4.56 3hicA1 ILE 11 HB -0.02 -0.01 0.14 -0.04 1.89 1.96 3hicA1 ILE 11 HG12 -0.06 0.05 -0.05 -0.04 1.49 1.40 3hicA1 ILE 11 HG13 -0.05 -0.05 -0.19 -0.04 1.21 0.88 3hicA1 ILE 11 HG23 0.08 0.01 -0.18 -0.04 0.93 0.79 3hicA1 ILE 11 HD13 -0.10 -0.00 -0.07 -0.04 0.88 0.66 3hicA1 ASP 12 H 0.05 0.66 0.15 -0.55 8.40 8.71 3hicA1 ASP 12 HA -0.05 0.13 0.75 -0.75 4.63 4.70 3hicA1 ASP 12 HB2 0.07 0.01 -0.07 -0.04 2.71 2.67 3hicA1 ASP 12 HB3 0.02 0.04 -0.13 -0.04 2.70 2.59 3hicA1 ARG 13 H -0.11 0.46 0.25 -0.55 8.46 8.50 3hicA1 ARG 13 HA -0.24 0.21 0.90 -0.75 4.34 4.45 3hicA1 ARG 13 HB2 0.13 -0.03 0.00 -0.04 1.90 1.96 3hicA1 ARG 13 HB3 0.10 -0.06 0.13 -0.04 1.80 1.93 3hicA1 ARG 13 HG2 -0.10 0.05 -0.32 -0.04 1.67 1.26 3hicA1 ARG 13 HG3 -0.38 0.01 -0.07 -0.04 1.67 1.19 3hicA1 ARG 13 HD2 0.45 -0.03 -0.06 -0.04 3.22 3.55 3hicA1 ARG 13 HD3 0.10 -0.00 -0.09 -0.04 3.22 3.19 3hicA1 LEU 14 H -0.19 0.93 0.32 -0.55 8.37 8.88 3hicA1 LEU 14 HA -0.15 0.20 0.87 -0.75 4.35 4.52 3hicA1 LEU 14 HB2 -0.03 -0.10 0.16 -0.04 1.64 1.62 3hicA1 LEU 14 HB3 -0.40 0.01 -0.04 -0.04 1.64 1.18 3hicA1 LEU 14 HG -0.09 0.01 -0.13 -0.04 1.64 1.39 3hicA1 LEU 14 HD13 -0.01 -0.06 -0.36 -0.04 0.93 0.47 3hicA1 LEU 14 HD23 0.02 -0.00 -0.13 -0.04 0.89 0.73 3hicA1 LEU 15 H -0.15 0.63 0.30 -0.55 8.37 8.61 3hicA1 LEU 15 HA -0.03 0.15 0.97 -0.75 4.35 4.68 3hicA1 LEU 15 HB2 -0.05 -0.03 0.15 -0.04 1.64 1.67 3hicA1 LEU 15 HB3 -0.02 -0.01 0.01 -0.04 1.64 1.58 3hicA1 LEU 15 HG 0.04 0.08 -0.15 -0.04 1.64 1.56 3hicA1 LEU 15 HD13 -0.01 -0.01 -0.05 -0.04 0.93 0.82 3hicA1 LEU 15 HD23 0.00 0.00 -0.14 -0.04 0.89 0.72 3hicA1 PHE 16 H 0.20 0.64 0.36 -0.55 8.34 8.99 3hicA1 PHE 16 HA -0.01 0.37 0.80 -0.75 4.62 5.03 3hicA1 PHE 16 HB2 -0.02 -0.05 0.27 -0.04 3.15 3.31 3hicA1 PHE 16 HB3 -0.01 -0.03 0.06 -0.04 3.06 3.04 3hicA1 PHE 16 HD2 -0.02 0.05 -0.11 -0.04 7.28 7.16 3hicA1 PHE 16 HE2 -0.02 -0.00 -0.12 -0.04 7.38 7.19 3hicA1 PHE 16 HZ -0.01 0.02 -0.10 -0.04 7.32 7.19 3hicA1 ILE 17 H 0.05 0.65 0.48 -0.55 8.25 8.87 3hicA1 ILE 17 HA 0.05 0.19 0.98 -0.75 4.18 4.65 3hicA1 ILE 17 HB 0.01 -0.04 0.01 -0.04 1.89 1.83 3hicA1 ILE 17 HG12 -0.00 0.10 -0.13 -0.04 1.49 1.42 3hicA1 ILE 17 HG13 0.02 0.10 -0.64 -0.04 1.21 0.64 3hicA1 ILE 17 HG23 -0.00 0.03 -0.30 -0.04 0.93 0.62 3hicA1 ILE 17 HD13 -0.01 -0.03 -0.32 -0.04 0.88 0.48 3hicA1 ARG 18 H 0.02 0.20 0.14 -0.55 8.46 8.28 3hicA1 ARG 18 HA 0.03 0.04 0.86 -0.75 4.34 4.52 3hicA1 ARG 18 HB2 0.02 0.01 0.14 -0.04 1.90 2.03 3hicA1 ARG 18 HB3 0.02 -0.00 0.02 -0.04 1.80 1.79 3hicA1 ARG 18 HG2 0.02 0.00 0.01 -0.04 1.67 1.66 3hicA1 ARG 18 HG3 0.02 0.01 -0.03 -0.04 1.67 1.63 3hicA1 ARG 18 HD2 0.01 0.01 -0.01 -0.04 3.22 3.20 3hicA1 ARG 18 HD3 0.01 -0.00 0.01 -0.04 3.22 3.20 3hicA1 GLY 19 H 0.02 0.02 0.14 -0.55 8.43 8.06 3hicA1 GLY 19 HA2 0.01 0.02 0.26 -0.51 4.01 3.80 3hicA1 GLY 19 HA3 0.01 0.06 0.39 -0.51 4.01 3.96 3hicA1 GLU 20 H 0.01 0.06 0.10 -0.55 8.60 8.22 3hicA1 GLU 20 HA 0.00 0.12 0.46 -0.75 4.29 4.12 3hicA1 GLU 20 HB2 0.00 -0.03 0.04 -0.04 2.09 2.06 3hicA1 GLU 20 HB3 0.00 0.02 -0.13 -0.04 1.99 1.84 3hicA1 GLU 20 HG2 0.00 0.03 -0.04 -0.04 2.34 2.29 3hicA1 GLU 20 HG3 -0.00 -0.15 0.07 -0.04 2.34 2.21 3hicA1 LEU 21 H -0.00 0.12 0.03 -0.55 8.37 7.97 3hicA1 LEU 21 HA -0.01 0.13 0.53 -0.75 4.35 4.25 3hicA1 LEU 21 HB2 -0.01 0.05 -0.00 -0.04 1.64 1.63 3hicA1 LEU 21 HB3 -0.01 -0.04 0.12 -0.04 1.64 1.68 3hicA1 LEU 21 HG -0.01 -0.05 -0.33 -0.04 1.64 1.21 3hicA1 LEU 21 HD13 -0.01 0.01 -0.08 -0.04 0.93 0.81 3hicA1 LEU 21 HD23 -0.01 -0.00 -0.03 -0.04 0.89 0.81 3hicA1 GLU 22 H -0.00 0.24 0.06 -0.55 8.60 8.36 3hicA1 GLU 22 HA -0.00 0.09 0.69 -0.75 4.29 4.31 3hicA1 GLU 22 HB2 -0.00 -0.03 0.01 -0.04 2.09 2.02 3hicA1 GLU 22 HB3 -0.00 0.06 -0.07 -0.04 1.99 1.94 3hicA1 GLU 22 HG2 -0.00 0.15 -0.10 -0.04 2.34 2.35 3hicA1 GLU 22 HG3 -0.00 -0.01 -0.05 -0.04 2.34 2.24 3hicA1 LYS 23 H -0.00 0.13 0.10 -0.55 8.42 8.10 3hicA1 LYS 23 HA -0.01 0.11 0.58 -0.75 4.32 4.25 3hicA1 LYS 23 HB2 -0.01 -0.02 0.06 -0.04 1.87 1.87 3hicA1 LYS 23 HB3 -0.01 0.04 0.05 -0.04 1.79 1.83 3hicA1 LYS 23 HG2 -0.00 -0.01 0.10 -0.04 1.46 1.50 3hicA1 LYS 23 HG3 -0.00 0.02 -0.08 -0.04 1.46 1.35 3hicA1 LYS 23 HD2 -0.00 -0.01 -0.01 -0.04 1.69 1.63 3hicA1 LYS 23 HD3 -0.00 0.02 0.02 -0.04 1.68 1.67 3hicA1 LYS 23 HE2 -0.00 0.00 0.00 -0.04 2.99 2.95 3hicA1 LYS 23 HE3 -0.00 0.00 0.01 -0.04 2.99 2.96 3hicA1 ARG 24 H -0.01 0.13 0.17 -0.55 8.46 8.21 3hicA1 ARG 24 HA -0.01 -0.00 0.32 -0.75 4.34 3.90 3hicA1 ARG 24 HB2 -0.00 0.25 -0.02 -0.04 1.90 2.08 3hicA1 ARG 24 HB3 -0.00 -0.02 0.22 -0.04 1.80 1.95 3hicA1 ARG 24 HG2 -0.00 0.00 0.03 -0.04 1.67 1.66 3hicA1 ARG 24 HG3 -0.00 -0.08 -0.17 -0.04 1.67 1.37 3hicA1 ARG 24 HD2 -0.00 0.02 -0.06 -0.04 3.22 3.13 3hicA1 ARG 24 HD3 -0.00 0.00 0.00 -0.04 3.22 3.18 3hicA1 LYS 25 H -0.01 0.24 -0.12 -0.55 8.42 7.98 3hicA1 LYS 25 HA -0.01 0.10 0.59 -0.75 4.32 4.25 3hicA1 LYS 25 HB2 -0.01 0.15 -0.28 -0.04 1.87 1.69 3hicA1 LYS 25 HB3 -0.00 -0.03 0.01 -0.04 1.79 1.72 3hicA1 LYS 25 HG2 -0.00 0.14 -0.69 -0.04 1.46 0.87 3hicA1 LYS 25 HG3 -0.00 -0.06 -0.19 -0.04 1.46 1.16 3hicA1 LYS 25 HD2 -0.00 -0.06 0.03 -0.04 1.69 1.62 3hicA1 LYS 25 HD3 -0.00 0.11 0.11 -0.04 1.68 1.85 3hicA1 LYS 25 HE2 -0.00 -0.04 0.01 -0.04 2.99 2.91 3hicA1 LYS 25 HE3 -0.00 0.03 -0.03 -0.04 2.99 2.95 3hicA1 THR 26 H -0.01 0.17 0.12 -0.55 8.28 8.01 3hicA1 THR 26 HA -0.01 0.13 0.78 -0.75 4.39 4.54 3hicA1 THR 26 HB -0.01 -0.00 0.15 -0.04 4.32 4.42 3hicA1 THR 26 HG23 -0.01 -0.01 -0.16 -0.04 1.22 1.00 3hicA1 ASN 27 H -0.01 0.21 0.05 -0.55 8.53 8.23 3hicA1 ASN 27 HA -0.00 0.17 0.84 -0.75 4.76 5.01 3hicA1 ASN 27 HB2 -0.01 -0.02 0.14 -0.04 2.88 2.95 3hicA1 ASN 27 HB3 -0.01 0.05 0.02 -0.04 2.79 2.81 3hicA1 ASN 27 HD21 -0.01 0.62 -0.04 -0.04 7.03 7.56 3hicA1 ASN 27 HD22 -0.01 -0.03 -0.06 -0.04 7.74 7.59 3hicA1 ARG 28 H 0.00 0.17 -0.03 -0.55 8.46 8.05 3hicA1 ARG 28 HA -0.00 -0.00 0.38 -0.75 4.34 3.97 3hicA1 ARG 28 HB2 0.01 -0.02 0.06 -0.04 1.90 1.91 3hicA1 ARG 28 HB3 0.01 0.09 -0.02 -0.04 1.80 1.83 3hicA1 ARG 28 HG2 -0.00 -0.00 -0.02 -0.04 1.67 1.60 3hicA1 ARG 28 HG3 -0.00 -0.01 -0.02 -0.04 1.67 1.60 3hicA1 ARG 28 HD2 0.00 -0.01 -0.01 -0.04 3.22 3.16 3hicA1 ARG 28 HD3 0.00 0.00 0.00 -0.04 3.22 3.19 3hicA1 VAL 29 H 0.00 0.07 0.17 -0.55 8.24 7.93 3hicA1 VAL 29 HA 0.03 0.22 0.61 -0.75 4.13 4.24 3hicA1 VAL 29 HB 0.01 -0.05 0.10 -0.04 2.12 2.14 3hicA1 VAL 29 HG13 0.04 -0.02 -0.20 -0.04 0.97 0.75 3hicA1 VAL 29 HG23 -0.01 0.01 -0.02 -0.04 0.95 0.89 3hicA1 ILE 30 H 0.07 0.96 0.48 -0.55 8.25 9.21 3hicA1 ILE 30 HA 0.02 0.06 0.60 -0.75 4.18 4.12 3hicA1 ILE 30 HB 0.07 0.03 0.04 -0.04 1.89 1.99 3hicA1 ILE 30 HG12 0.02 -0.03 -0.05 -0.04 1.49 1.39 3hicA1 ILE 30 HG13 0.05 0.09 0.03 -0.04 1.21 1.33 3hicA1 ILE 30 HG23 0.00 -0.02 -0.07 -0.04 0.93 0.80 3hicA1 ILE 30 HD13 0.04 -0.02 -0.17 -0.04 0.88 0.69 3hicA1 LYS 31 H 0.12 0.30 0.22 -0.55 8.42 8.51 3hicA1 LYS 31 HA 0.03 0.10 0.51 -0.75 4.32 4.21 3hicA1 LYS 31 HB2 -0.03 0.03 0.04 -0.04 1.87 1.87 3hicA1 LYS 31 HB3 -0.04 0.13 -0.13 -0.04 1.79 1.70 3hicA1 LYS 31 HG2 -0.03 -0.09 -0.03 -0.04 1.46 1.27 3hicA1 LYS 31 HG3 0.00 -0.00 -0.17 -0.04 1.46 1.25 3hicA1 LYS 31 HD2 -0.94 -0.01 -0.07 -0.04 1.69 0.62 3hicA1 LYS 31 HD3 -0.31 0.04 -0.08 -0.04 1.68 1.29 3hicA1 LYS 31 HE2 -0.13 0.06 -0.08 -0.04 2.99 2.80 3hicA1 LYS 31 HE3 -0.17 -0.05 -0.09 -0.04 2.99 2.64 3hicA1 THR 32 H 0.03 0.21 0.16 -0.55 8.28 8.13 3hicA1 THR 32 HA 0.03 0.40 1.17 -0.75 4.39 5.23 3hicA1 THR 32 HB -0.03 -0.04 0.12 -0.04 4.32 4.33 3hicA1 THR 32 HG23 -0.37 -0.00 -0.19 -0.04 1.22 0.62 3hicA1 GLU 33 H -0.03 0.63 0.37 -0.55 8.60 9.02 3hicA1 GLU 33 HA -0.03 0.17 0.96 -0.75 4.29 4.64 3hicA1 GLU 33 HB2 0.21 -0.02 0.04 -0.04 2.09 2.28 3hicA1 GLU 33 HB3 0.10 0.07 0.07 -0.04 1.99 2.19 3hicA1 GLU 33 HG2 0.04 0.06 -0.14 -0.04 2.34 2.26 3hicA1 GLU 33 HG3 0.23 -0.05 -0.24 -0.04 2.34 2.24 3hicA1 PHE 34 H 0.15 0.20 0.20 -0.55 8.34 8.33 3hicA1 PHE 34 HA 0.03 0.39 1.16 -0.75 4.62 5.45 3hicA1 PHE 34 HB2 0.03 -0.02 0.07 -0.04 3.15 3.19 3hicA1 PHE 34 HB3 0.01 0.00 -0.03 -0.04 3.06 3.01 3hicA1 PHE 34 HD2 0.02 0.04 -0.12 -0.04 7.28 7.18 3hicA1 PHE 34 HE2 0.03 -0.01 -0.10 -0.04 7.38 7.26 3hicA1 PHE 34 HZ 0.05 -0.02 -0.09 -0.04 7.32 7.22 3hicA1 ASP 35 H 0.18 0.59 0.34 -0.55 8.40 8.96 3hicA1 ASP 35 HA 0.11 0.14 0.64 -0.75 4.63 4.77 3hicA1 ASP 35 HB2 0.09 0.05 -0.26 -0.04 2.71 2.55 3hicA1 ASP 35 HB3 0.10 -0.05 -0.09 -0.04 2.70 2.61 3hicA1 CYS 36 H 0.08 0.21 0.10 -0.55 8.50 8.35 3hicA1 CYS 36 HA 0.01 0.07 0.76 -0.75 4.58 4.66 3hicA1 CYS 36 HB2 -0.03 0.04 0.05 -0.04 2.97 3.00 3hicA1 CYS 36 HB3 0.01 -0.01 0.03 -0.04 2.97 2.96 3hicA1 GLY 37 H -0.04 0.95 0.38 -0.55 8.43 9.17 3hicA1 GLY 37 HA2 -0.10 0.19 0.76 -0.51 4.01 4.36 3hicA1 GLY 37 HA3 -0.05 -0.06 0.14 -0.51 4.01 3.52 3hicA1 GLY 38 H -0.16 0.12 -0.01 -0.55 8.43 7.84 3hicA1 GLY 38 HA2 -0.08 0.09 0.38 -0.51 4.01 3.88 3hicA1 GLY 38 HA3 -0.09 0.16 0.82 -0.51 4.01 4.38 3hicA1 LYS 39 H -0.02 0.19 0.11 -0.55 8.42 8.13 3hicA1 LYS 39 HA 0.15 0.07 0.36 -0.75 4.32 4.15 3hicA1 LYS 39 HB2 0.04 0.06 -0.34 -0.04 1.87 1.58 3hicA1 LYS 39 HB3 0.09 0.07 -0.05 -0.04 1.79 1.86 3hicA1 LYS 39 HG2 0.11 0.03 0.00 -0.04 1.46 1.56 3hicA1 LYS 39 HG3 0.03 -0.06 0.09 -0.04 1.46 1.48 3hicA1 LYS 39 HD2 0.02 -0.00 0.03 -0.04 1.69 1.70 3hicA1 LYS 39 HD3 0.02 -0.05 0.08 -0.04 1.68 1.69 3hicA1 LYS 39 HE2 0.07 0.04 -0.02 -0.04 2.99 3.03 3hicA1 LYS 39 HE3 0.06 -0.02 -0.05 -0.04 2.99 2.94 3hicA1 GLY 40 H 0.01 0.30 -0.06 -0.55 8.43 8.13 3hicA1 GLY 40 HA2 0.06 0.10 0.31 -0.51 4.01 3.97 3hicA1 GLY 40 HA3 0.03 0.09 0.12 -0.51 4.01 3.74 3hicA1 LEU 41 H -0.02 0.11 -0.46 -0.55 8.37 7.45 3hicA1 LEU 41 HA 0.09 0.07 0.41 -0.75 4.35 4.17 3hicA1 LEU 41 HB2 -0.11 0.17 -0.17 -0.04 1.64 1.49 3hicA1 LEU 41 HB3 0.02 0.01 -0.13 -0.04 1.64 1.50 3hicA1 LEU 41 HG 0.15 -0.11 -0.04 -0.04 1.64 1.60 3hicA1 LEU 41 HD13 -0.01 0.10 0.03 -0.04 0.93 1.00 3hicA1 LEU 41 HD23 0.30 0.00 -0.11 -0.04 0.89 1.05 3hicA1 HIS 42 H -0.07 0.40 -0.22 -0.55 8.41 7.97 3hicA1 HIS 42 HA 0.08 0.07 0.35 -0.75 4.63 4.37 3hicA1 HIS 42 HB2 0.06 0.11 0.13 -0.04 3.26 3.53 3hicA1 HIS 42 HB3 0.08 -0.03 -0.08 -0.04 3.20 3.13 3hicA1 HIS 42 HD2 0.07 0.02 -0.06 -0.04 6.97 6.95 3hicA1 HIS 42 HE1 0.02 -0.09 -0.08 -0.04 7.75 7.56 3hicA1 VAL 43 H 0.14 0.44 -0.26 -0.55 8.24 8.01 3hicA1 VAL 43 HA 0.11 0.04 0.40 -0.75 4.13 3.93 3hicA1 VAL 43 HB 0.08 0.15 0.07 -0.04 2.12 2.38 3hicA1 VAL 43 HG13 0.04 -0.00 -0.19 -0.04 0.97 0.78 3hicA1 VAL 43 HG23 0.11 0.04 -0.06 -0.04 0.95 1.00 3hicA1 SER 44 H 0.09 0.34 -0.23 -0.55 8.46 8.11 3hicA1 SER 44 HA 0.06 0.06 0.33 -0.75 4.49 4.19 3hicA1 SER 44 HB2 0.10 0.05 0.13 -0.04 3.95 4.19 3hicA1 SER 44 HB3 0.09 0.01 -0.06 -0.04 3.93 3.93 3hicA1 GLY 45 H 0.13 0.43 -0.31 -0.55 8.43 8.14 3hicA1 GLY 45 HA2 0.12 0.14 0.36 -0.51 4.01 4.12 3hicA1 GLY 45 HA3 0.15 0.00 0.27 -0.51 4.01 3.93 3hicA1 VAL 46 H 0.18 0.42 -0.18 -0.55 8.24 8.10 3hicA1 VAL 46 HA 0.36 0.04 0.41 -0.75 4.13 4.18 3hicA1 VAL 46 HB 0.15 0.04 0.11 -0.04 2.12 2.39 3hicA1 VAL 46 HG13 0.37 0.01 -0.21 -0.04 0.97 1.09 3hicA1 VAL 46 HG23 0.22 0.04 0.01 -0.04 0.95 1.18 3hicA1 LEU 47 H 0.12 0.56 -0.11 -0.55 8.37 8.40 3hicA1 LEU 47 HA 0.12 0.02 0.38 -0.75 4.35 4.12 3hicA1 LEU 47 HB2 0.04 0.05 0.10 -0.04 1.64 1.79 3hicA1 LEU 47 HB3 0.01 0.07 -0.07 -0.04 1.64 1.61 3hicA1 LEU 47 HG -0.00 0.04 0.02 -0.04 1.64 1.66 3hicA1 LEU 47 HD13 -0.03 -0.03 -0.18 -0.04 0.93 0.65 3hicA1 LEU 47 HD23 -0.14 -0.01 -0.09 -0.04 0.89 0.62 3hicA1 SER 48 H 0.11 0.57 -0.19 -0.55 8.46 8.40 3hicA1 SER 48 HA 0.05 0.06 0.45 -0.75 4.49 4.30 3hicA1 SER 48 HB2 0.10 0.10 0.21 -0.04 3.95 4.32 3hicA1 SER 48 HB3 0.08 -0.06 0.10 -0.04 3.93 4.02 3hicA1 LYS 49 H 0.11 0.50 -0.14 -0.55 8.42 8.34 3hicA1 LYS 49 HA -0.06 -0.02 0.38 -0.75 4.32 3.87 3hicA1 LYS 49 HB2 0.01 0.10 0.17 -0.04 1.87 2.11 3hicA1 LYS 49 HB3 0.01 0.12 0.10 -0.04 1.79 1.98 3hicA1 LYS 49 HG2 -0.34 -0.05 -0.01 -0.04 1.46 1.02 3hicA1 LYS 49 HG3 -0.19 -0.05 0.08 -0.04 1.46 1.26 3hicA1 LYS 49 HD2 -0.27 0.01 -0.02 -0.04 1.69 1.37 3hicA1 LYS 49 HD3 -0.87 0.03 -0.03 -0.04 1.68 0.78 3hicA1 LYS 49 HE2 -0.56 -0.12 -0.01 -0.04 2.99 2.26 3hicA1 LYS 49 HE3 -0.30 -0.04 -0.01 -0.04 2.99 2.59 3hicA1 PHE 50 H 0.25 0.32 -0.59 -0.55 8.34 7.77 3hicA1 PHE 50 HA -0.00 0.01 0.54 -0.75 4.62 4.41 3hicA1 PHE 50 HB2 0.00 0.13 0.16 -0.04 3.15 3.40 3hicA1 PHE 50 HB3 -0.02 -0.04 0.05 -0.04 3.06 3.01 3hicA1 PHE 50 HD2 0.04 0.20 -0.05 -0.04 7.28 7.44 3hicA1 PHE 50 HE2 0.07 -0.05 -0.07 -0.04 7.38 7.29 3hicA1 PHE 50 HZ 0.04 -0.04 -0.07 -0.04 7.32 7.21 3hicA1 GLY 51 H 0.06 0.58 -0.40 -0.55 8.43 8.12 3hicA1 GLY 51 HA2 -0.00 0.01 0.32 -0.51 4.01 3.82 3hicA1 GLY 51 HA3 0.01 -0.01 0.49 -0.51 4.01 3.99 3hicA1 ILE 52 H 0.08 0.48 -0.15 -0.55 8.25 8.11 3hicA1 ILE 52 HA -0.02 0.07 0.63 -0.75 4.18 4.11 3hicA1 ILE 52 HB -0.01 -0.06 0.04 -0.04 1.89 1.82 3hicA1 ILE 52 HG12 -0.03 0.04 -0.07 -0.04 1.49 1.39 3hicA1 ILE 52 HG13 0.08 0.01 -0.24 -0.04 1.21 1.02 3hicA1 ILE 52 HG23 -0.09 0.03 -0.11 -0.04 0.93 0.72 3hicA1 ILE 52 HD13 -0.16 -0.00 0.02 -0.04 0.88 0.69 3hicA1 LYS 53 H -0.04 0.16 0.17 -0.55 8.42 8.15 3hicA1 LYS 53 HA -0.04 0.01 0.41 -0.75 4.32 3.95 3hicA1 LYS 53 HB2 -0.04 0.02 0.16 -0.04 1.87 1.97 3hicA1 LYS 53 HB3 -0.07 0.06 0.16 -0.04 1.79 1.89 3hicA1 LYS 53 HG2 -0.05 -0.02 -0.01 -0.04 1.46 1.33 3hicA1 LYS 53 HG3 -0.08 -0.01 -0.12 -0.04 1.46 1.20 3hicA1 LYS 53 HD2 -0.03 0.02 0.09 -0.04 1.69 1.72 3hicA1 LYS 53 HD3 -0.03 -0.00 0.02 -0.04 1.68 1.63 3hicA1 LYS 53 HE2 -0.03 -0.04 -0.02 -0.04 2.99 2.86 3hicA1 LYS 53 HE3 -0.04 0.03 -0.01 -0.04 2.99 2.92 3hicA1 ASN 54 H -0.05 0.20 0.29 -0.55 8.53 8.43 3hicA1 ASN 54 HA -0.18 0.14 0.79 -0.75 4.76 4.75 3hicA1 ASN 54 HB2 -0.06 -0.05 -0.01 -0.04 2.88 2.72 3hicA1 ASN 54 HB3 -0.06 0.09 -0.21 -0.04 2.79 2.56 3hicA1 ASN 54 HD21 0.04 0.02 0.03 -0.04 7.03 7.07 3hicA1 ASN 54 HD22 -0.00 0.48 -0.10 -0.04 7.74 8.08 3hicA1 GLU 55 H -0.17 0.67 0.37 -0.55 8.60 8.92 3hicA1 GLU 55 HA 0.00 0.25 0.83 -0.75 4.29 4.62 3hicA1 GLU 55 HB2 -0.04 0.03 -0.17 -0.04 2.09 1.88 3hicA1 GLU 55 HB3 -0.05 0.01 0.01 -0.04 1.99 1.92 3hicA1 GLU 55 HG2 0.16 -0.05 -0.43 -0.04 2.34 1.97 3hicA1 GLU 55 HG3 0.06 -0.06 -0.25 -0.04 2.34 2.04 3hicA1 ALA 56 H 0.09 0.74 0.40 -0.55 8.40 9.08 3hicA1 ALA 56 HA 0.02 0.08 0.84 -0.75 4.34 4.52 3hicA1 ALA 56 HB3 0.16 -0.02 0.00 -0.04 1.41 1.51 3hicA1 LEU 57 H -0.13 0.81 0.41 -0.55 8.37 8.91 3hicA1 LEU 57 HA -0.37 0.10 0.75 -0.75 4.35 4.08 3hicA1 LEU 57 HB2 -0.11 0.02 0.05 -0.04 1.64 1.55 3hicA1 LEU 57 HB3 -0.13 -0.04 0.07 -0.04 1.64 1.49 3hicA1 LEU 57 HG 0.07 0.08 -0.18 -0.04 1.64 1.57 3hicA1 LEU 57 HD13 -0.15 0.00 -0.12 -0.04 0.93 0.62 3hicA1 LEU 57 HD23 -0.01 0.02 -0.20 -0.04 0.89 0.66 3hicA1 GLY 58 H -0.32 0.30 0.23 -0.55 8.43 8.09 3hicA1 GLY 58 HA2 -0.11 0.02 0.21 -0.51 4.01 3.62 3hicA1 GLY 58 HA3 -0.22 0.27 0.65 -0.51 4.01 4.20 3hicA1 ILE 59 H 0.15 0.40 0.18 -0.55 8.25 8.44 3hicA1 ILE 59 HA 0.28 0.22 1.00 -0.75 4.18 4.91 3hicA1 ILE 59 HB 0.14 0.11 0.11 -0.04 1.89 2.21 3hicA1 ILE 59 HG12 0.15 -0.07 -0.16 -0.04 1.49 1.37 3hicA1 ILE 59 HG13 0.11 0.10 -0.40 -0.04 1.21 0.98 3hicA1 ILE 59 HG23 0.34 -0.04 -0.23 -0.04 0.93 0.96 3hicA1 ILE 59 HD13 0.04 0.01 -0.07 -0.04 0.88 0.82 3hicA1 ALA 60 H 0.30 0.73 0.26 -0.55 8.40 9.14 3hicA1 ALA 60 HA 0.31 0.18 0.90 -0.75 4.34 4.97 3hicA1 ALA 60 HB3 -0.08 0.01 -0.06 -0.04 1.41 1.25 3hicA1 GLY 61 H 0.10 0.09 0.01 -0.55 8.43 8.08 3hicA1 GLY 61 HA2 -0.48 0.18 0.44 -0.51 4.01 3.63 3hicA1 GLY 61 HA3 -0.31 -0.12 -0.16 -0.51 4.01 2.91 3hicA1 SER 62 H -0.20 0.49 0.28 -0.55 8.46 8.47 3hicA1 SER 62 HA -0.13 0.09 0.40 -0.75 4.49 4.09 3hicA1 SER 62 HB2 -0.08 0.04 0.04 -0.04 3.95 3.90 3hicA1 SER 62 HB3 -0.09 0.03 -0.06 -0.04 3.93 3.76 3hicA1 ASP 63 H -0.13 0.66 0.11 -0.55 8.40 8.50 3hicA1 ASP 63 HA -0.08 0.10 0.37 -0.75 4.63 4.27 3hicA1 ASP 63 HB2 -0.08 -0.03 -0.18 -0.04 2.71 2.37 3hicA1 ASP 63 HB3 -0.06 0.04 -0.01 -0.04 2.70 2.63 3hicA1 ASN 64 H -0.12 0.15 -0.28 -0.55 8.53 7.74 3hicA1 ASN 64 HA -0.10 0.23 0.85 -0.75 4.76 4.99 3hicA1 ASN 64 HB2 -0.09 0.00 0.18 -0.04 2.88 2.93 3hicA1 ASN 64 HB3 -0.07 0.09 -0.05 -0.04 2.79 2.72 3hicA1 ASN 64 HD21 -0.02 0.35 0.05 -0.04 7.03 7.37 3hicA1 ASN 64 HD22 -0.04 0.05 -0.01 -0.04 7.74 7.70 3hicA1 LEU 65 H -0.18 0.47 -0.16 -0.55 8.37 7.95 3hicA1 LEU 65 HA -0.34 0.05 0.42 -0.75 4.35 3.72 3hicA1 LEU 65 HB2 -0.26 0.14 0.18 -0.04 1.64 1.66 3hicA1 LEU 65 HB3 -0.32 0.01 0.08 -0.04 1.64 1.37 3hicA1 LEU 65 HG -1.56 -0.04 -0.12 -0.04 1.64 -0.11 3hicA1 LEU 65 HD13 -0.31 -0.00 -0.14 -0.04 0.93 0.44 3hicA1 LEU 65 HD23 -0.24 0.01 -0.07 -0.04 0.89 0.54 3hicA1 ASP 66 H -0.19 0.17 -0.11 -0.55 8.40 7.73 3hicA1 ASP 66 HA -0.12 0.11 0.36 -0.75 4.63 4.22 3hicA1 ASP 66 HB2 -0.09 -0.01 0.02 -0.04 2.71 2.58 3hicA1 ASP 66 HB3 -0.05 0.06 -0.03 -0.04 2.70 2.64 3hicA1 LYS 67 H -0.13 0.08 -0.41 -0.55 8.42 7.41 3hicA1 LYS 67 HA -0.12 0.09 0.39 -0.75 4.32 3.93 3hicA1 LYS 67 HB2 -0.15 -0.02 0.06 -0.04 1.87 1.72 3hicA1 LYS 67 HB3 -0.14 0.16 0.12 -0.04 1.79 1.88 3hicA1 LYS 67 HG2 -0.27 0.00 -0.04 -0.04 1.46 1.12 3hicA1 LYS 67 HG3 -0.25 0.01 -0.22 -0.04 1.46 0.96 3hicA1 LYS 67 HD2 -0.27 -0.01 0.02 -0.04 1.69 1.40 3hicA1 LYS 67 HD3 -0.26 -0.01 -0.01 -0.04 1.68 1.36 3hicA1 LYS 67 HE2 -1.12 -0.00 -0.07 -0.04 2.99 1.76 3hicA1 LYS 67 HE3 -0.83 0.02 -0.04 -0.04 2.99 2.10 3hicA1 LEU 68 H -0.14 0.38 -0.09 -0.55 8.37 7.97 3hicA1 LEU 68 HA -0.08 0.04 0.39 -0.75 4.35 3.95 3hicA1 LEU 68 HB2 -0.13 -0.02 0.08 -0.04 1.64 1.53 3hicA1 LEU 68 HB3 -0.15 0.08 0.16 -0.04 1.64 1.69 3hicA1 LEU 68 HG -0.17 0.03 -0.23 -0.04 1.64 1.23 3hicA1 LEU 68 HD13 -0.13 -0.00 0.00 -0.04 0.93 0.75 3hicA1 LEU 68 HD23 -0.30 -0.01 -0.08 -0.04 0.89 0.46 3hicA1 TYR 69 H 0.03 0.67 -0.07 -0.55 8.29 8.37 3hicA1 TYR 69 HA -0.15 0.02 0.37 -0.75 4.56 4.05 3hicA1 TYR 69 HB2 -0.04 0.05 0.10 -0.04 3.06 3.12 3hicA1 TYR 69 HB3 0.03 0.00 -0.02 -0.04 2.98 2.94 3hicA1 TYR 69 HD2 -0.12 -0.07 -0.10 -0.04 7.15 6.82 3hicA1 TYR 69 HE2 -0.14 -0.02 -0.09 -0.04 6.85 6.57 3hicA1 ALA 70 H 0.04 0.42 -0.37 -0.55 8.40 7.94 3hicA1 ALA 70 HA 0.03 0.03 0.46 -0.75 4.34 4.10 3hicA1 ALA 70 HB3 -0.02 0.03 0.10 -0.04 1.41 1.48 3hicA1 ILE 71 H -0.02 0.43 -0.15 -0.55 8.25 7.96 3hicA1 ILE 71 HA 0.00 0.05 0.41 -0.75 4.18 3.89 3hicA1 ILE 71 HB -0.02 0.11 0.14 -0.04 1.89 2.09 3hicA1 ILE 71 HG12 0.03 -0.01 -0.08 -0.04 1.49 1.39 3hicA1 ILE 71 HG13 -0.06 0.14 0.05 -0.04 1.21 1.31 3hicA1 ILE 71 HG23 0.04 -0.01 -0.27 -0.04 0.93 0.65 3hicA1 ILE 71 HD13 -0.04 -0.04 -0.16 -0.04 0.88 0.60 3hicA1 LEU 72 H -0.01 0.55 -0.10 -0.55 8.37 8.26 3hicA1 LEU 72 HA 0.01 0.01 0.31 -0.75 4.35 3.92 3hicA1 LEU 72 HB2 -0.04 0.07 0.11 -0.04 1.64 1.74 3hicA1 LEU 72 HB3 0.04 0.09 -0.02 -0.04 1.64 1.71 3hicA1 LEU 72 HG -0.10 0.26 0.00 -0.04 1.64 1.77 3hicA1 LEU 72 HD13 -0.47 -0.03 -0.13 -0.04 0.93 0.27 3hicA1 LEU 72 HD23 -0.02 -0.02 -0.05 -0.04 0.89 0.75 3hicA1 LYS 73 H 0.01 0.49 -0.16 -0.55 8.42 8.21 3hicA1 LYS 73 HA -0.00 0.04 0.42 -0.75 4.32 4.02 3hicA1 LYS 73 HB2 -0.01 -0.03 0.04 -0.04 1.87 1.82 3hicA1 LYS 73 HB3 0.02 0.01 0.14 -0.04 1.79 1.92 3hicA1 LYS 73 HG2 0.02 0.04 0.26 -0.04 1.46 1.73 3hicA1 LYS 73 HG3 -0.03 -0.10 0.15 -0.04 1.46 1.45 3hicA1 LYS 73 HD2 -0.01 -0.02 -0.06 -0.04 1.69 1.56 3hicA1 LYS 73 HD3 0.01 -0.06 0.02 -0.04 1.68 1.60 3hicA1 LYS 73 HE2 0.00 -0.07 0.01 -0.04 2.99 2.89 3hicA1 LYS 73 HE3 0.01 -0.10 0.09 -0.04 2.99 2.94 3hicA1 GLU 74 H -0.05 0.39 -0.25 -0.55 8.60 8.15 3hicA1 GLU 74 HA -0.17 -0.01 0.39 -0.75 4.29 3.74 3hicA1 GLU 74 HB2 -0.04 -0.03 0.16 -0.04 2.09 2.14 3hicA1 GLU 74 HB3 -0.03 0.25 0.21 -0.04 1.99 2.38 3hicA1 GLU 74 HG2 -0.03 0.03 -0.14 -0.04 2.34 2.16 3hicA1 GLU 74 HG3 -0.03 -0.06 0.08 -0.04 2.34 2.29 3hicA1 LYS 75 H -0.08 0.29 -0.55 -0.55 8.42 7.52 3hicA1 LYS 75 HA -0.04 0.13 0.76 -0.75 4.32 4.41 3hicA1 LYS 75 HB2 0.03 0.01 0.03 -0.04 1.87 1.90 3hicA1 LYS 75 HB3 0.06 -0.03 0.11 -0.04 1.79 1.89 3hicA1 LYS 75 HG2 0.01 0.19 -0.07 -0.04 1.46 1.55 3hicA1 LYS 75 HG3 0.06 -0.18 -0.03 -0.04 1.46 1.26 3hicA1 LYS 75 HD2 0.06 -0.01 0.00 -0.04 1.69 1.70 3hicA1 LYS 75 HD3 0.02 0.14 -0.12 -0.04 1.68 1.67 3hicA1 LYS 75 HE2 0.04 0.01 -0.03 -0.04 2.99 2.97 3hicA1 LYS 75 HE3 0.07 -0.13 0.03 -0.04 2.99 2.92 3hicA1 HIS 76 H -0.30 0.51 -0.36 -0.55 8.41 7.72 3hicA1 HIS 76 HA 0.02 -0.01 0.32 -0.75 4.63 4.22 3hicA1 HIS 76 HB2 0.02 0.17 0.03 -0.04 3.26 3.44 3hicA1 HIS 76 HB3 0.01 -0.06 0.14 -0.04 3.20 3.24 3hicA1 HIS 76 HD2 -0.00 0.02 -0.21 -0.04 6.97 6.74 3hicA1 HIS 76 HE1 -0.00 -0.09 -0.01 -0.04 7.75 7.60 3hicA1 ILE 77 H 0.06 0.42 -0.08 -0.55 8.25 8.10 3hicA1 ILE 77 HA 0.09 0.23 0.89 -0.75 4.18 4.65 3hicA1 ILE 77 HB 0.09 -0.09 0.01 -0.04 1.89 1.86 3hicA1 ILE 77 HG12 0.10 0.09 -0.32 -0.04 1.49 1.32 3hicA1 ILE 77 HG13 0.09 0.13 -0.45 -0.04 1.21 0.94 3hicA1 ILE 77 HG23 0.15 -0.04 -0.25 -0.04 0.93 0.75 3hicA1 ILE 77 HD13 0.09 -0.05 -0.07 -0.04 0.88 0.81 3hicA1 ASN 78 H 0.06 0.28 0.12 -0.55 8.53 8.44 3hicA1 ASN 78 HA -0.05 0.05 0.68 -0.75 4.76 4.68 3hicA1 ASN 78 HB2 -0.00 0.27 0.27 -0.04 2.88 3.38 3hicA1 ASN 78 HB3 -0.04 -0.02 0.07 -0.04 2.79 2.75 3hicA1 ASN 78 HD21 0.01 -0.00 -0.02 -0.04 7.03 6.97 3hicA1 ASN 78 HD22 0.01 0.09 0.09 -0.04 7.74 7.89 3hicA1 HIS 79 H -0.41 0.24 0.24 -0.55 8.41 7.94 3hicA1 HIS 79 HA 0.04 0.13 0.89 -0.75 4.63 4.94 3hicA1 HIS 79 HB2 0.42 -0.03 0.06 -0.04 3.26 3.67 3hicA1 HIS 79 HB3 0.21 0.03 -0.27 -0.04 3.20 3.13 3hicA1 HIS 79 HD2 -0.00 -0.20 -0.21 -0.04 6.97 6.51 3hicA1 HIS 79 HE1 -0.38 0.03 0.02 -0.04 7.75 7.37 3hicA1 ASP 80 H 0.11 0.58 0.09 -0.55 8.40 8.63 3hicA1 ASP 80 HA 0.09 0.11 0.60 -0.75 4.63 4.67 3hicA1 ASP 80 HB2 0.03 0.06 -0.13 -0.04 2.71 2.62 3hicA1 ASP 80 HB3 0.03 0.00 0.08 -0.04 2.70 2.77 3hicA1 PHE 81 H 0.54 0.07 -0.04 -0.55 8.34 8.37 3hicA1 PHE 81 HA 0.10 0.00 0.49 -0.75 4.62 4.45 3hicA1 PHE 81 HB2 0.17 -0.03 -0.01 -0.04 3.15 3.24 3hicA1 PHE 81 HB3 0.16 0.08 -0.17 -0.04 3.06 3.08 3hicA1 PHE 81 HD2 0.03 -0.02 -0.32 -0.04 7.28 6.92 3hicA1 PHE 81 HE2 0.00 0.05 -0.20 -0.04 7.38 7.19 3hicA1 PHE 81 HZ -0.01 -0.03 -0.16 -0.04 7.32 7.09 3hicA1 LEU 82 H 0.18 0.70 0.42 -0.55 8.37 9.12 3hicA1 LEU 82 HA 0.13 0.13 0.69 -0.75 4.35 4.54 3hicA1 LEU 82 HB2 0.13 0.03 0.19 -0.04 1.64 1.95 3hicA1 LEU 82 HB3 0.10 -0.08 0.07 -0.04 1.64 1.69 3hicA1 LEU 82 HG 0.05 0.06 0.06 -0.04 1.64 1.77 3hicA1 LEU 82 HD13 0.05 -0.02 -0.12 -0.04 0.93 0.80 3hicA1 LEU 82 HD23 0.06 0.02 -0.02 -0.04 0.89 0.91 3hicA1 VAL 83 H 0.10 0.20 0.15 -0.55 8.24 8.13 3hicA1 VAL 83 HA 0.09 0.31 1.03 -0.75 4.13 4.81 3hicA1 VAL 83 HB 0.04 -0.02 0.06 -0.04 2.12 2.15 3hicA1 VAL 83 HG13 -0.04 -0.01 -0.26 -0.04 0.97 0.61 3hicA1 VAL 83 HG23 0.11 0.03 -0.24 -0.04 0.95 0.81 3hicA1 GLU 84 H -0.03 0.79 0.23 -0.55 8.60 9.04 3hicA1 GLU 84 HA -0.00 0.09 0.84 -0.75 4.29 4.46 3hicA1 GLU 84 HB2 0.11 0.01 -0.08 -0.04 2.09 2.09 3hicA1 GLU 84 HB3 -0.49 -0.08 -0.01 -0.04 1.99 1.37 3hicA1 GLU 84 HG2 0.00 0.12 -0.07 -0.04 2.34 2.35 3hicA1 GLU 84 HG3 -0.13 0.12 -0.17 -0.04 2.34 2.12 3hicA1 ALA 85 H -0.04 0.19 0.16 -0.55 8.40 8.16 3hicA1 ALA 85 HA -0.08 -0.02 0.53 -0.75 4.34 4.01 3hicA1 ALA 85 HB3 -0.03 0.03 0.10 -0.04 1.41 1.47 3hicA1 GLY 86 H -0.08 0.11 0.23 -0.55 8.43 8.14 3hicA1 GLY 86 HA2 -0.06 0.03 0.36 -0.51 4.01 3.83 3hicA1 GLY 86 HA3 -0.06 0.14 0.52 -0.51 4.01 4.10 3hicA1 THR 87 H -0.18 0.11 0.00 -0.55 8.28 7.66 3hicA1 THR 87 HA -0.12 0.26 0.84 -0.75 4.39 4.62 3hicA1 THR 87 HB -0.38 -0.00 0.08 -0.04 4.32 3.98 3hicA1 THR 87 HG23 -0.12 0.04 -0.22 -0.04 1.22 0.87 3hicA1 SER 88 H -0.09 0.32 0.15 -0.55 8.46 8.29 3hicA1 SER 88 HA -0.11 -0.04 0.81 -0.75 4.49 4.40 3hicA1 SER 88 HB2 0.00 0.08 -0.05 -0.04 3.95 3.94 3hicA1 SER 88 HB3 -0.03 0.08 -0.02 -0.04 3.93 3.92 3hicA1 THR 89 H -0.03 0.09 0.08 -0.55 8.28 7.88 3hicA1 THR 89 HA 0.35 0.05 0.50 -0.75 4.39 4.54 3hicA1 THR 89 HB -0.02 0.01 0.05 -0.04 4.32 4.32 3hicA1 THR 89 HG23 0.00 0.12 -0.25 -0.04 1.22 1.05 3hicA1 ARG 90 H 0.10 0.16 0.19 -0.55 8.46 8.36 3hicA1 ARG 90 HA 0.04 0.03 0.39 -0.75 4.34 4.05 3hicA1 ARG 90 HB2 -0.01 -0.01 -0.03 -0.04 1.90 1.81 3hicA1 ARG 90 HB3 0.01 -0.12 0.09 -0.04 1.80 1.75 3hicA1 ARG 90 HG2 -0.04 0.14 0.16 -0.04 1.67 1.90 3hicA1 ARG 90 HG3 -0.06 -0.10 -0.39 -0.04 1.67 1.09 3hicA1 ARG 90 HD2 -0.06 0.35 -0.23 -0.04 3.22 3.24 3hicA1 ARG 90 HD3 -0.09 -0.13 -0.12 -0.04 3.22 2.84 3hicA1 GLU 91 H -0.07 0.13 0.23 -0.55 8.60 8.35 3hicA1 GLU 91 HA -0.16 0.20 1.08 -0.75 4.29 4.66 3hicA1 GLU 91 HB2 -0.13 -0.06 0.14 -0.04 2.09 2.00 3hicA1 GLU 91 HB3 -0.85 0.03 -0.03 -0.04 1.99 1.10 3hicA1 GLU 91 HG2 -0.08 0.23 0.11 -0.04 2.34 2.55 3hicA1 GLU 91 HG3 -0.03 -0.02 -0.05 -0.04 2.34 2.19 3hicA1 CYS 92 H -0.26 0.50 0.17 -0.55 8.50 8.36 3hicA1 CYS 92 HA -0.24 0.14 1.01 -0.75 4.58 4.74 3hicA1 CYS 92 HB2 -0.09 -0.01 -0.11 -0.04 2.97 2.71 3hicA1 CYS 92 HB3 -0.09 -0.07 0.01 -0.04 2.97 2.77 3hicA1 PHE 93 H -0.18 0.50 0.09 -0.55 8.34 8.19 3hicA1 PHE 93 HA -0.02 0.17 0.79 -0.75 4.62 4.80 3hicA1 PHE 93 HB2 -0.01 0.10 0.24 -0.04 3.15 3.44 3hicA1 PHE 93 HB3 -0.03 -0.02 0.07 -0.04 3.06 3.04 3hicA1 PHE 93 HD2 -0.00 0.17 0.08 -0.04 7.28 7.48 3hicA1 PHE 93 HE2 0.03 -0.02 -0.01 -0.04 7.38 7.34 3hicA1 PHE 93 HZ 0.03 -0.05 -0.01 -0.04 7.32 7.26 3hicA1 VAL 94 H 0.01 0.64 0.33 -0.55 8.24 8.68 3hicA1 VAL 94 HA -0.01 0.36 0.89 -0.75 4.13 4.62 3hicA1 VAL 94 HB -0.08 -0.08 0.07 -0.04 2.12 1.99 3hicA1 VAL 94 HG13 -0.07 -0.01 -0.22 -0.04 0.97 0.63 3hicA1 VAL 94 HG23 -0.02 0.03 -0.29 -0.04 0.95 0.63 3hicA1 VAL 95 H -0.02 0.69 0.24 -0.55 8.24 8.60 3hicA1 VAL 95 HA -0.10 0.24 0.93 -0.75 4.13 4.44 3hicA1 VAL 95 HB -0.03 -0.11 0.20 -0.04 2.12 2.15 3hicA1 VAL 95 HG13 -0.04 0.01 -0.06 -0.04 0.97 0.84 3hicA1 VAL 95 HG23 -0.01 0.03 -0.02 -0.04 0.95 0.91 3hicA1 LEU 96 H -0.24 0.57 0.35 -0.55 8.37 8.50 3hicA1 LEU 96 HA -0.08 0.19 0.82 -0.75 4.35 4.52 3hicA1 LEU 96 HB2 -0.13 -0.01 0.08 -0.04 1.64 1.55 3hicA1 LEU 96 HB3 -0.12 0.09 0.01 -0.04 1.64 1.58 3hicA1 LEU 96 HG -0.33 0.01 -0.28 -0.04 1.64 0.99 3hicA1 LEU 96 HD13 -1.29 0.01 -0.25 -0.04 0.93 -0.64 3hicA1 LEU 96 HD23 -0.20 0.02 -0.13 -0.04 0.89 0.54 3hicA1 SER 97 H 0.01 0.39 0.21 -0.55 8.46 8.53 3hicA1 SER 97 HA 0.18 0.09 0.81 -0.75 4.49 4.81 3hicA1 SER 97 HB2 0.04 0.14 -0.19 -0.04 3.95 3.90 3hicA1 SER 97 HB3 0.03 -0.03 -0.04 -0.04 3.93 3.85 3hicA1 ASP 98 H 0.15 0.21 0.22 -0.55 8.40 8.42 3hicA1 ASP 98 HA 0.10 0.16 0.50 -0.75 4.63 4.63 3hicA1 ASP 98 HB2 0.04 -0.03 0.10 -0.04 2.71 2.77 3hicA1 ASP 98 HB3 0.02 0.04 0.13 -0.04 2.70 2.85 3hicA1 ASP 99 H 0.05 -0.02 -0.29 -0.55 8.40 7.59 3hicA1 ASP 99 HA 0.02 0.21 0.68 -0.75 4.63 4.79 3hicA1 ASP 99 HB2 0.02 -0.06 0.06 -0.04 2.71 2.69 3hicA1 ASP 99 HB3 0.02 0.03 0.15 -0.04 2.70 2.86 3hicA1 THR 100 H 0.04 0.37 -0.25 -0.55 8.28 7.90 3hicA1 THR 100 HA 0.02 0.22 0.95 -0.75 4.39 4.82 3hicA1 THR 100 HB 0.01 -0.17 0.15 -0.04 4.32 4.27 3hicA1 THR 100 HG23 0.01 -0.03 -0.38 -0.04 1.22 0.79 3hicA1 ASN 101 H 0.01 0.01 0.18 -0.55 8.53 8.18 3hicA1 ASN 101 HA 0.02 0.39 1.08 -0.75 4.76 5.50 3hicA1 ASN 101 HB2 0.01 -0.15 0.08 -0.04 2.88 2.78 3hicA1 ASN 101 HB3 0.01 0.20 0.22 -0.04 2.79 3.18 3hicA1 ASN 101 HD21 0.01 -0.04 -0.03 -0.04 7.03 6.93 3hicA1 ASN 101 HD22 0.01 -0.05 0.02 -0.04 7.74 7.68 3hicA1 GLY 102 H 0.01 -0.06 0.03 -0.55 8.43 7.86 3hicA1 GLY 102 HA2 -0.00 0.25 0.99 -0.51 4.01 4.74 3hicA1 GLY 102 HA3 -0.00 -0.06 0.32 -0.51 4.01 3.76 3hicA1 SER 103 H -0.01 0.24 0.20 -0.55 8.46 8.35 3hicA1 SER 103 HA -0.04 0.31 0.85 -0.75 4.49 4.86 3hicA1 SER 103 HB2 -0.05 0.00 -0.07 -0.04 3.95 3.80 3hicA1 SER 103 HB3 -0.03 0.10 -0.23 -0.04 3.93 3.72 3hicA1 THR 104 H -0.03 0.66 0.25 -0.55 8.28 8.61 3hicA1 THR 104 HA -0.01 0.22 0.84 -0.75 4.39 4.69 3hicA1 THR 104 HB -0.01 -0.01 0.18 -0.04 4.32 4.43 3hicA1 THR 104 HG23 0.00 0.02 0.05 -0.04 1.22 1.25 3hicA1 ILE 106 HA 0.06 -0.06 0.27 -0.75 4.18 3.70 3hicA1 ILE 106 HB 0.22 -0.05 0.25 -0.04 1.89 2.27 3hicA1 ILE 106 HG12 0.04 -0.04 -0.03 -0.04 1.49 1.42 3hicA1 ILE 106 HG13 0.05 0.05 -0.73 -0.04 1.21 0.54 3hicA1 ILE 106 HG23 0.10 -0.02 0.01 -0.04 0.93 0.98 3hicA1 ILE 106 HD13 0.02 -0.02 -0.05 -0.04 0.88 0.79 3hicA1 PRO 107 HA -0.04 0.00 0.87 -0.51 4.44 4.76 3hicA1 PRO 107 HB2 -0.02 0.11 -0.05 -0.04 2.28 2.28 3hicA1 PRO 107 HB3 -0.02 -0.03 0.04 -0.04 2.02 1.96 3hicA1 PRO 107 HG2 0.00 -0.01 0.10 -0.04 2.03 2.08 3hicA1 PRO 107 HG3 -0.00 -0.02 0.05 -0.04 2.03 2.02 3hicA1 PRO 107 HD2 0.03 0.02 0.24 -0.04 3.68 3.93 3hicA1 PRO 107 HD3 0.02 0.19 0.15 -0.04 3.65 3.96 3hicA1 GLU 108 H -0.06 0.45 0.34 -0.55 8.60 8.78 3hicA1 GLU 108 HA 0.05 0.06 0.62 -0.75 4.29 4.27 3hicA1 GLU 108 HB2 -0.02 -0.10 0.21 -0.04 2.09 2.14 3hicA1 GLU 108 HB3 0.04 -0.10 0.14 -0.04 1.99 2.04 3hicA1 GLU 108 HG2 0.17 0.02 0.09 -0.04 2.34 2.57 3hicA1 GLU 108 HG3 0.02 0.33 0.26 -0.04 2.34 2.91 3hicA1 ALA 109 H 0.02 0.08 0.18 -0.55 8.40 8.14 3hicA1 ALA 109 HA -0.02 0.10 0.36 -0.75 4.34 4.02 3hicA1 ALA 109 HB3 0.01 -0.01 0.14 -0.04 1.41 1.51 3hicA1 GLY 110 H 0.02 -0.03 -0.05 -0.55 8.43 7.82 3hicA1 GLY 110 HA2 -0.07 -0.07 0.36 -0.51 4.01 3.71 3hicA1 GLY 110 HA3 -0.14 0.28 0.92 -0.51 4.01 4.56 3hicA1 PHE 111 H -0.54 0.10 0.14 -0.55 8.34 7.48 3hicA1 PHE 111 HA 0.05 0.19 0.81 -0.75 4.62 4.91 3hicA1 PHE 111 HB2 0.03 -0.04 0.11 -0.04 3.15 3.21 3hicA1 PHE 111 HB3 0.02 0.01 0.05 -0.04 3.06 3.10 3hicA1 PHE 111 HD2 0.02 0.15 -0.32 -0.04 7.28 7.09 3hicA1 PHE 111 HE2 0.02 -0.11 -0.19 -0.04 7.38 7.07 3hicA1 PHE 111 HZ 0.04 0.04 -0.65 -0.04 7.32 6.71 3hicA1 THR 112 H 0.31 0.10 0.10 -0.55 8.28 8.24 3hicA1 THR 112 HA 0.19 0.30 0.67 -0.75 4.39 4.80 3hicA1 THR 112 HB 0.12 -0.06 0.11 -0.04 4.32 4.45 3hicA1 THR 112 HG23 0.04 0.01 -0.18 -0.04 1.22 1.05 3hicA1 VAL 113 H 0.18 0.29 0.08 -0.55 8.24 8.24 3hicA1 VAL 113 HA 0.30 0.03 0.59 -0.75 4.13 4.30 3hicA1 VAL 113 HB 0.24 0.02 0.05 -0.04 2.12 2.39 3hicA1 VAL 113 HG13 0.20 0.03 -0.16 -0.04 0.97 1.00 3hicA1 VAL 113 HG23 0.11 0.04 -0.05 -0.04 0.95 1.01 3hicA1 SER 114 H 0.13 0.10 0.15 -0.55 8.46 8.29 3hicA1 SER 114 HA 0.06 0.18 0.48 -0.75 4.49 4.45 3hicA1 SER 114 HB2 0.04 -0.02 0.16 -0.04 3.95 4.08 3hicA1 SER 114 HB3 0.05 0.15 0.15 -0.04 3.93 4.24 3hicA1 GLN 115 H 0.03 0.22 0.20 -0.55 8.47 8.37 3hicA1 GLN 115 HA 0.02 0.12 0.42 -0.75 4.36 4.17 3hicA1 GLN 115 HB2 0.01 0.06 0.16 -0.04 2.15 2.34 3hicA1 GLN 115 HB3 0.01 -0.00 0.09 -0.04 2.02 2.08 3hicA1 GLN 115 HG2 0.00 0.05 0.01 -0.04 2.40 2.43 3hicA1 GLN 115 HG3 0.01 -0.00 -0.05 -0.04 2.39 2.30 3hicA1 GLN 115 HE21 -0.03 0.04 -0.00 -0.04 6.97 6.94 3hicA1 GLN 115 HE22 -0.00 -0.02 0.03 -0.04 7.69 7.65 3hicA1 THR 116 H 0.03 0.04 -0.24 -0.55 8.28 7.57 3hicA1 THR 116 HA 0.03 0.13 0.36 -0.75 4.39 4.15 3hicA1 THR 116 HB 0.03 -0.06 0.05 -0.04 4.32 4.30 3hicA1 THR 116 HG23 0.03 0.03 -0.07 -0.04 1.22 1.17 3hicA1 ASN 117 H 0.07 0.10 -0.28 -0.55 8.53 7.87 3hicA1 ASN 117 HA 0.07 0.12 0.55 -0.75 4.76 4.74 3hicA1 ASN 117 HB2 0.12 -0.05 0.07 -0.04 2.88 2.98 3hicA1 ASN 117 HB3 0.13 0.05 -0.10 -0.04 2.79 2.83 3hicA1 ASN 117 HD21 0.07 0.33 -0.18 -0.04 7.03 7.20 3hicA1 ASN 117 HD22 0.11 -0.10 -0.05 -0.04 7.74 7.66 3hicA1 LYS 118 H 0.08 0.46 -0.15 -0.55 8.42 8.26 3hicA1 LYS 118 HA 0.17 0.05 0.38 -0.75 4.32 4.17 3hicA1 LYS 118 HB2 0.02 0.04 0.13 -0.04 1.87 2.03 3hicA1 LYS 118 HB3 0.01 0.00 0.01 -0.04 1.79 1.77 3hicA1 LYS 118 HG2 0.20 -0.01 -0.04 -0.04 1.46 1.57 3hicA1 LYS 118 HG3 0.10 0.16 -0.16 -0.04 1.46 1.52 3hicA1 LYS 118 HD2 -0.04 -0.06 -0.03 -0.04 1.69 1.52 3hicA1 LYS 118 HD3 -0.26 -0.05 0.00 -0.04 1.68 1.33 3hicA1 LYS 118 HE2 0.05 -0.04 -0.03 -0.04 2.99 2.92 3hicA1 LYS 118 HE3 0.07 0.24 -0.14 -0.04 2.99 3.12 3hicA1 ASP 119 H 0.04 0.61 -0.18 -0.55 8.40 8.32 3hicA1 ASP 119 HA 0.02 0.04 0.40 -0.75 4.63 4.33 3hicA1 ASP 119 HB2 0.02 0.10 0.14 -0.04 2.71 2.93 3hicA1 ASP 119 HB3 0.01 -0.01 -0.02 -0.04 2.70 2.64 3hicA1 ASN 120 H 0.04 0.42 -0.14 -0.55 8.53 8.30 3hicA1 ASN 120 HA 0.02 0.03 0.42 -0.75 4.76 4.48 3hicA1 ASN 120 HB2 0.05 0.01 0.17 -0.04 2.88 3.06 3hicA1 ASN 120 HB3 0.03 -0.00 0.03 -0.04 2.79 2.81 3hicA1 ASN 120 HD21 0.03 -0.06 -0.03 -0.04 7.03 6.93 3hicA1 ASN 120 HD22 0.04 -0.08 -0.03 -0.04 7.74 7.63 3hicA1 LEU 121 H 0.05 0.46 -0.40 -0.55 8.37 7.93 3hicA1 LEU 121 HA 0.00 0.04 0.47 -0.75 4.35 4.11 3hicA1 LEU 121 HB2 0.06 -0.02 0.07 -0.04 1.64 1.71 3hicA1 LEU 121 HB3 0.07 0.17 0.14 -0.04 1.64 1.99 3hicA1 LEU 121 HG 0.01 0.04 -0.24 -0.04 1.64 1.41 3hicA1 LEU 121 HD13 -0.04 -0.01 -0.02 -0.04 0.93 0.82 3hicA1 LEU 121 HD23 0.05 -0.02 -0.09 -0.04 0.89 0.79 3hicA1 LEU 122 H 0.03 0.40 -0.06 -0.55 8.37 8.18 3hicA1 LEU 122 HA -0.01 0.06 0.38 -0.75 4.35 4.02 3hicA1 LEU 122 HB2 0.01 0.09 0.11 -0.04 1.64 1.81 3hicA1 LEU 122 HB3 -0.00 0.01 0.02 -0.04 1.64 1.62 3hicA1 LEU 122 HG 0.03 0.22 0.08 -0.04 1.64 1.93 3hicA1 LEU 122 HD13 0.00 -0.03 -0.06 -0.04 0.93 0.80 3hicA1 LEU 122 HD23 0.02 0.01 -0.13 -0.04 0.89 0.75 3hicA1 LYS 123 H 0.00 0.43 -0.28 -0.55 8.42 8.02 3hicA1 LYS 123 HA -0.01 0.05 0.45 -0.75 4.32 4.05 3hicA1 LYS 123 HB2 0.00 -0.01 0.06 -0.04 1.87 1.88 3hicA1 LYS 123 HB3 0.00 0.09 0.13 -0.04 1.79 1.97 3hicA1 LYS 123 HG2 -0.01 0.02 -0.19 -0.04 1.46 1.25 3hicA1 LYS 123 HG3 -0.01 -0.01 0.03 -0.04 1.46 1.43 3hicA1 LYS 123 HD2 0.00 -0.01 -0.03 -0.04 1.69 1.61 3hicA1 LYS 123 HD3 0.00 -0.03 -0.02 -0.04 1.68 1.59 3hicA1 LYS 123 HE2 0.01 -0.00 0.01 -0.04 2.99 2.97 3hicA1 LYS 123 HE3 0.01 0.03 -0.03 -0.04 2.99 2.96 3hicA1 GLN 124 H -0.02 0.45 -0.18 -0.55 8.47 8.17 3hicA1 GLN 124 HA -0.04 0.01 0.42 -0.75 4.36 3.99 3hicA1 GLN 124 HB2 -0.04 0.12 0.22 -0.04 2.15 2.40 3hicA1 GLN 124 HB3 -0.08 -0.03 -0.02 -0.04 2.02 1.85 3hicA1 GLN 124 HG2 -0.01 -0.05 0.05 -0.04 2.40 2.35 3hicA1 GLN 124 HG3 -0.00 0.17 0.10 -0.04 2.39 2.62 3hicA1 GLN 124 HE21 0.02 0.34 0.04 -0.04 6.97 7.34 3hicA1 GLN 124 HE22 0.01 -0.06 -0.00 -0.04 7.69 7.60 3hicA1 ILE 125 H -0.06 0.44 -0.23 -0.55 8.25 7.85 3hicA1 ILE 125 HA -0.19 -0.02 0.42 -0.75 4.18 3.64 3hicA1 ILE 125 HB -0.06 0.12 0.09 -0.04 1.89 2.00 3hicA1 ILE 125 HG12 -0.11 -0.02 -0.05 -0.04 1.49 1.27 3hicA1 ILE 125 HG13 -0.09 -0.01 -0.01 -0.04 1.21 1.06 3hicA1 ILE 125 HG23 -0.07 0.01 -0.25 -0.04 0.93 0.58 3hicA1 ILE 125 HD13 -0.04 -0.03 -0.11 -0.04 0.88 0.66 3hicA1 ALA 126 H -0.05 0.35 -0.17 -0.55 8.40 7.98 3hicA1 ALA 126 HA -0.04 0.13 0.41 -0.75 4.34 4.09 3hicA1 ALA 126 HB3 -0.02 -0.01 0.09 -0.04 1.41 1.42 3hicA1 LYS 127 H -0.04 0.43 -0.22 -0.55 8.42 8.03 3hicA1 LYS 127 HA -0.02 0.04 0.48 -0.75 4.32 4.07 3hicA1 LYS 127 HB2 -0.03 0.05 0.10 -0.04 1.87 1.95 3hicA1 LYS 127 HB3 -0.02 -0.08 0.02 -0.04 1.79 1.67 3hicA1 LYS 127 HG2 -0.02 0.27 0.07 -0.04 1.46 1.74 3hicA1 LYS 127 HG3 -0.01 -0.12 -0.02 -0.04 1.46 1.26 3hicA1 LYS 127 HD2 -0.01 -0.05 0.00 -0.04 1.69 1.60 3hicA1 LYS 127 HD3 -0.01 0.08 -0.09 -0.04 1.68 1.62 3hicA1 LYS 127 HE2 -0.01 0.00 -0.02 -0.04 2.99 2.92 3hicA1 LYS 127 HE3 -0.00 -0.07 -0.02 -0.04 2.99 2.85 3hicA1 LYS 128 H -0.10 0.37 -0.19 -0.55 8.42 7.94 3hicA1 LYS 128 HA -0.03 0.13 0.83 -0.75 4.32 4.49 3hicA1 LYS 128 HB2 -0.36 0.02 0.09 -0.04 1.87 1.58 3hicA1 LYS 128 HB3 -0.21 -0.08 -0.09 -0.04 1.79 1.37 3hicA1 LYS 128 HG2 -0.02 -0.06 -0.07 -0.04 1.46 1.27 3hicA1 LYS 128 HG3 -0.07 -0.01 -0.02 -0.04 1.46 1.32 3hicA1 LYS 128 HD2 -0.16 0.01 -0.11 -0.04 1.69 1.39 3hicA1 LYS 128 HD3 -0.15 -0.04 -0.10 -0.04 1.68 1.36 3hicA1 LYS 128 HE2 -0.02 -0.03 -0.01 -0.04 2.99 2.88 3hicA1 LYS 128 HE3 -0.02 -0.03 -0.03 -0.04 2.99 2.87 3hicA1 VAL 129 H -0.19 0.36 0.13 -0.55 8.24 7.99 3hicA1 VAL 129 HA -0.00 -0.06 0.48 -0.75 4.13 3.80 3hicA1 VAL 129 HB -0.08 0.14 0.13 -0.04 2.12 2.27 3hicA1 VAL 129 HG13 0.04 -0.00 -0.17 -0.04 0.97 0.80 3hicA1 VAL 129 HG23 -0.34 -0.04 0.05 -0.04 0.95 0.58 3hicA1 LYS 130 H 0.10 0.07 0.25 -0.55 8.42 8.28 3hicA1 LYS 130 HA 0.03 0.25 0.87 -0.75 4.32 4.72 3hicA1 LYS 130 HB2 0.06 -0.06 0.09 -0.04 1.87 1.92 3hicA1 LYS 130 HB3 0.03 -0.09 0.14 -0.04 1.79 1.83 3hicA1 LYS 130 HG2 0.05 0.21 -0.06 -0.04 1.46 1.62 3hicA1 LYS 130 HG3 0.04 -0.06 0.01 -0.04 1.46 1.41 3hicA1 LYS 130 HD2 0.02 -0.10 0.03 -0.04 1.69 1.60 3hicA1 LYS 130 HD3 0.02 0.21 -0.18 -0.04 1.68 1.69 3hicA1 LYS 130 HE2 0.02 -0.11 -0.02 -0.04 2.99 2.84 3hicA1 LYS 130 HE3 0.01 -0.03 -0.04 -0.04 2.99 2.88 3hicA1 LYS 131 H 0.03 0.13 0.18 -0.55 8.42 8.20 3hicA1 LYS 131 HA 0.04 0.14 0.09 -0.75 4.32 3.85 3hicA1 LYS 131 HB2 0.03 0.12 0.19 -0.04 1.87 2.17 3hicA1 LYS 131 HB3 0.03 -0.13 0.12 -0.04 1.79 1.77 3hicA1 LYS 131 HG2 0.04 -0.05 -0.16 -0.04 1.46 1.24 3hicA1 LYS 131 HG3 0.04 0.21 0.04 -0.04 1.46 1.71 3hicA1 LYS 131 HD2 0.03 -0.03 0.02 -0.04 1.69 1.68 3hicA1 LYS 131 HD3 0.03 0.04 0.06 -0.04 1.68 1.76 3hicA1 LYS 131 HE2 0.02 -0.01 0.04 -0.04 2.99 3.00 3hicA1 LYS 131 HE3 0.02 -0.04 -0.00 -0.04 2.99 2.93 3hicA1 GLU 132 H 0.04 -0.04 -0.37 -0.55 8.60 7.68 3hicA1 GLU 132 HA 0.03 0.22 0.71 -0.75 4.29 4.50 3hicA1 GLU 132 HB2 0.01 0.06 0.16 -0.04 2.09 2.27 3hicA1 GLU 132 HB3 0.02 -0.07 0.04 -0.04 1.99 1.93 3hicA1 GLU 132 HG2 0.02 0.03 -0.21 -0.04 2.34 2.14 3hicA1 GLU 132 HG3 0.01 0.05 0.00 -0.04 2.34 2.36 3hicA1 ASP 133 H 0.07 0.48 -0.32 -0.55 8.40 8.08 3hicA1 ASP 133 HA 0.02 0.20 0.66 -0.75 4.63 4.76 3hicA1 ASP 133 HB2 0.16 0.06 0.16 -0.04 2.71 3.06 3hicA1 ASP 133 HB3 0.18 0.20 0.24 -0.04 2.70 3.28 3hicA1 VAL 135 HA 0.17 -0.07 0.41 -0.75 4.13 3.88 3hicA1 VAL 135 HB 0.08 0.04 0.08 -0.04 2.12 2.28 3hicA1 VAL 135 HG13 0.05 -0.05 -0.23 -0.04 0.97 0.70 3hicA1 VAL 135 HG23 0.11 -0.01 -0.09 -0.04 0.95 0.93 3hicA1 VAL 136 H 0.11 0.67 0.33 -0.55 8.24 8.80 3hicA1 VAL 136 HA 0.14 0.34 1.17 -0.75 4.13 5.02 3hicA1 VAL 136 HB 0.08 -0.07 0.16 -0.04 2.12 2.25 3hicA1 VAL 136 HG13 0.14 -0.05 -0.28 -0.04 0.97 0.74 3hicA1 VAL 136 HG23 0.10 0.03 -0.18 -0.04 0.95 0.86 3hicA1 ILE 137 H 0.09 0.68 0.29 -0.55 8.25 8.77 3hicA1 ILE 137 HA 0.05 0.07 0.85 -0.75 4.18 4.40 3hicA1 ILE 137 HB 0.08 0.01 0.19 -0.04 1.89 2.12 3hicA1 ILE 137 HG12 0.00 -0.04 -0.10 -0.04 1.49 1.31 3hicA1 ILE 137 HG13 0.02 0.08 -0.13 -0.04 1.21 1.15 3hicA1 ILE 137 HG23 0.12 -0.02 -0.11 -0.04 0.93 0.87 3hicA1 ILE 137 HD13 -0.11 0.01 -0.12 -0.04 0.88 0.62 3hicA1 ALA 138 H 0.05 0.46 0.31 -0.55 8.40 8.67 3hicA1 ALA 138 HA 0.08 0.17 0.98 -0.75 4.34 4.81 3hicA1 ALA 138 HB3 0.09 -0.01 -0.14 -0.04 1.41 1.31 3hicA1 GLY 139 H 0.02 0.57 0.25 -0.55 8.43 8.72 3hicA1 GLY 139 HA2 -0.03 -0.05 0.48 -0.51 4.01 3.90 3hicA1 GLY 139 HA3 -0.04 0.05 0.94 -0.51 4.01 4.45 3hicA1 SER 140 H -0.10 0.05 0.18 -0.55 8.46 8.05 3hicA1 SER 140 HA -0.37 0.04 0.48 -0.75 4.49 3.89 3hicA1 SER 140 HB2 -0.13 0.03 0.10 -0.04 3.95 3.90 3hicA1 SER 140 HB3 -0.23 0.14 0.10 -0.04 3.93 3.90 3hicA1 PRO 141 HA -0.35 0.04 0.48 -0.51 4.44 4.10 3hicA1 PRO 141 HB2 -0.16 0.17 0.04 -0.04 2.28 2.29 3hicA1 PRO 141 HB3 -0.52 -0.02 0.09 -0.04 2.02 1.52 3hicA1 PRO 141 HG2 -1.07 0.02 0.04 -0.04 2.03 0.98 3hicA1 PRO 141 HG3 -0.58 0.05 0.03 -0.04 2.03 1.50 3hicA1 PRO 141 HD2 -1.06 0.07 0.20 -0.04 3.68 2.84 3hicA1 PRO 141 HD3 -1.06 0.02 0.24 -0.04 3.65 2.81 3hicA1 PRO 142 HA -0.13 0.19 0.46 -0.51 4.44 4.45 3hicA1 PRO 142 HB2 -0.18 0.33 0.09 -0.04 2.28 2.48 3hicA1 PRO 142 HB3 -0.30 -0.05 0.17 -0.04 2.02 1.80 3hicA1 PRO 142 HG2 0.01 -0.06 -0.04 -0.04 2.03 1.90 3hicA1 PRO 142 HG3 -0.19 0.04 0.09 -0.04 2.03 1.93 3hicA1 PRO 142 HD2 -0.37 -0.02 0.15 -0.04 3.68 3.40 3hicA1 PRO 142 HD3 -0.28 0.22 -0.15 -0.04 3.65 3.41 3hicA1 PRO 143 HA -0.10 -0.01 0.40 -0.51 4.44 4.22 3hicA1 PRO 143 HB2 0.02 -0.01 -0.06 -0.04 2.28 2.19 3hicA1 PRO 143 HB3 -0.18 -0.03 0.05 -0.04 2.02 1.82 3hicA1 PRO 143 HG2 -0.00 0.04 -0.07 -0.04 2.03 1.96 3hicA1 PRO 143 HG3 -0.05 0.04 0.01 -0.04 2.03 1.99 3hicA1 PRO 143 HD2 -0.03 0.18 -0.20 -0.04 3.68 3.59 3hicA1 PRO 143 HD3 -0.08 0.28 0.05 -0.04 3.65 3.87 3hicA1 HIS 144 H -0.20 0.11 0.09 -0.55 8.41 7.88 3hicA1 HIS 144 HA 0.05 -0.05 0.28 -0.75 4.63 4.15 3hicA1 HIS 144 HB2 0.06 0.33 0.13 -0.04 3.26 3.75 3hicA1 HIS 144 HB3 0.04 -0.06 0.16 -0.04 3.20 3.30 3hicA1 HIS 144 HD2 0.05 0.08 -0.27 -0.04 6.97 6.79 3hicA1 HIS 144 HE1 0.02 0.01 -0.02 -0.04 7.75 7.72 3hicA1 TYR 145 H 0.17 0.52 -0.46 -0.55 8.29 7.97 3hicA1 TYR 145 HA 0.08 0.04 0.68 -0.75 4.56 4.60 3hicA1 TYR 145 HB2 0.01 0.04 -0.02 -0.04 3.06 3.05 3hicA1 TYR 145 HB3 -0.03 0.07 0.12 -0.04 2.98 3.10 3hicA1 TYR 145 HD2 0.06 0.00 -0.10 -0.04 7.15 7.08 3hicA1 TYR 145 HE2 0.17 -0.01 -0.15 -0.04 6.85 6.82 3hicA1 THR 146 H -0.03 0.20 -0.03 -0.55 8.28 7.87 3hicA1 THR 146 HA 0.14 0.18 0.36 -0.75 4.39 4.31 3hicA1 THR 146 HB 0.03 -0.09 0.18 -0.04 4.32 4.39 3hicA1 THR 146 HG23 0.04 0.09 -0.01 -0.04 1.22 1.30 3hicA1 LEU 147 H 0.03 0.19 0.16 -0.55 8.37 8.20 3hicA1 LEU 147 HA 0.09 0.15 0.44 -0.75 4.35 4.28 3hicA1 LEU 147 HB2 -0.04 -0.03 0.13 -0.04 1.64 1.66 3hicA1 LEU 147 HB3 -0.06 0.11 0.02 -0.04 1.64 1.67 3hicA1 LEU 147 HG -0.21 -0.05 0.09 -0.04 1.64 1.43 3hicA1 LEU 147 HD13 -0.14 0.02 0.03 -0.04 0.93 0.79 3hicA1 LEU 147 HD23 -0.79 0.02 -0.06 -0.04 0.89 0.02 3hicA1 SER 148 H 0.03 0.04 -0.10 -0.55 8.46 7.89 3hicA1 SER 148 HA 0.04 0.15 0.38 -0.75 4.49 4.31 3hicA1 SER 148 HB2 0.01 0.04 0.08 -0.04 3.95 4.04 3hicA1 SER 148 HB3 -0.00 -0.07 0.04 -0.04 3.93 3.86 3hicA1 ASP 149 H -0.02 -0.00 -0.38 -0.55 8.40 7.45 3hicA1 ASP 149 HA -0.10 0.07 0.37 -0.75 4.63 4.22 3hicA1 ASP 149 HB2 -0.55 0.16 -0.02 -0.04 2.71 2.26 3hicA1 ASP 149 HB3 -0.91 0.04 -0.02 -0.04 2.70 1.77 3hicA1 PHE 150 H 0.31 0.37 -0.36 -0.55 8.34 8.10 3hicA1 PHE 150 HA 0.29 0.02 0.36 -0.75 4.62 4.54 3hicA1 PHE 150 HB2 0.43 0.06 0.10 -0.04 3.15 3.70 3hicA1 PHE 150 HB3 0.21 0.13 0.12 -0.04 3.06 3.48 3hicA1 PHE 150 HD2 0.19 0.00 -0.05 -0.04 7.28 7.38 3hicA1 PHE 150 HE2 0.05 0.10 -0.04 -0.04 7.38 7.45 3hicA1 PHE 150 HZ 0.05 0.00 -0.10 -0.04 7.32 7.23 3hicA1 LYS 151 H 0.17 0.46 -0.13 -0.55 8.42 8.37 3hicA1 LYS 151 HA 0.01 0.08 0.34 -0.75 4.32 4.00 3hicA1 LYS 151 HB2 0.04 0.11 0.17 -0.04 1.87 2.15 3hicA1 LYS 151 HB3 0.02 0.01 -0.05 -0.04 1.79 1.73 3hicA1 LYS 151 HG2 0.05 0.06 0.01 -0.04 1.46 1.55 3hicA1 LYS 151 HG3 0.09 0.06 0.01 -0.04 1.46 1.58 3hicA1 LYS 151 HD2 0.02 -0.08 -0.00 -0.04 1.69 1.59 3hicA1 LYS 151 HD3 0.02 0.05 -0.02 -0.04 1.68 1.68 3hicA1 LYS 151 HE2 0.02 0.08 -0.02 -0.04 2.99 3.03 3hicA1 LYS 151 HE3 0.02 -0.08 -0.07 -0.04 2.99 2.82 3hicA1 GLU 152 H 0.02 0.38 -0.24 -0.55 8.60 8.22 3hicA1 GLU 152 HA -0.01 0.03 0.36 -0.75 4.29 3.91 3hicA1 GLU 152 HB2 -0.01 0.14 0.13 -0.04 2.09 2.32 3hicA1 GLU 152 HB3 -0.01 -0.02 -0.05 -0.04 1.99 1.87 3hicA1 GLU 152 HG2 -0.01 0.00 0.02 -0.04 2.34 2.31 3hicA1 GLU 152 HG3 -0.01 0.06 0.04 -0.04 2.34 2.38 3hicA1 LEU 153 H 0.01 0.37 -0.29 -0.55 8.37 7.91 3hicA1 LEU 153 HA -0.01 -0.00 0.39 -0.75 4.35 3.98 3hicA1 LEU 153 HB2 0.13 -0.03 0.07 -0.04 1.64 1.78 3hicA1 LEU 153 HB3 -0.14 0.15 0.16 -0.04 1.64 1.76 3hicA1 LEU 153 HG -0.11 0.05 -0.26 -0.04 1.64 1.29 3hicA1 LEU 153 HD13 0.02 -0.02 -0.07 -0.04 0.93 0.83 3hicA1 LEU 153 HD23 -0.00 -0.02 -0.08 -0.04 0.89 0.74 3hicA1 LEU 154 H -0.21 0.60 -0.04 -0.55 8.37 8.17 3hicA1 LEU 154 HA -0.15 0.03 0.41 -0.75 4.35 3.88 3hicA1 LEU 154 HB2 -0.14 0.07 0.11 -0.04 1.64 1.64 3hicA1 LEU 154 HB3 -0.12 0.07 -0.05 -0.04 1.64 1.51 3hicA1 LEU 154 HG -0.75 -0.01 0.00 -0.04 1.64 0.84 3hicA1 LEU 154 HD13 -0.16 -0.01 -0.20 -0.04 0.93 0.53 3hicA1 LEU 154 HD23 -0.24 0.00 -0.05 -0.04 0.89 0.56 3hicA1 ARG 155 H -0.06 0.62 -0.08 -0.55 8.46 8.40 3hicA1 ARG 155 HA -0.03 0.08 0.43 -0.75 4.34 4.07 3hicA1 ARG 155 HB2 -0.02 0.03 0.07 -0.04 1.90 1.93 3hicA1 ARG 155 HB3 -0.02 -0.04 -0.02 -0.04 1.80 1.68 3hicA1 ARG 155 HG2 -0.02 0.04 -0.02 -0.04 1.67 1.63 3hicA1 ARG 155 HG3 -0.02 0.07 0.01 -0.04 1.67 1.69 3hicA1 ARG 155 HD2 -0.01 -0.06 -0.11 -0.04 3.22 3.00 3hicA1 ARG 155 HD3 -0.01 -0.02 -0.04 -0.04 3.22 3.10 3hicA1 THR 156 H -0.04 0.45 -0.30 -0.55 8.28 7.84 3hicA1 THR 156 HA -0.02 0.01 0.42 -0.75 4.39 4.04 3hicA1 THR 156 HB -0.03 0.09 0.14 -0.04 4.32 4.48 3hicA1 THR 156 HG23 -0.02 -0.03 -0.03 -0.04 1.22 1.10 3hicA1 VAL 157 H -0.05 0.40 -0.23 -0.55 8.24 7.82 3hicA1 VAL 157 HA -0.03 0.03 0.37 -0.75 4.13 3.75 3hicA1 VAL 157 HB -0.05 0.10 0.12 -0.04 2.12 2.25 3hicA1 VAL 157 HG13 -0.00 0.01 -0.23 -0.04 0.97 0.70 3hicA1 VAL 157 HG23 -0.04 0.02 -0.02 -0.04 0.95 0.86 3hicA1 LYS 158 H -0.03 0.60 -0.05 -0.55 8.42 8.38 3hicA1 LYS 158 HA -0.01 0.11 0.32 -0.75 4.32 3.98 3hicA1 LYS 158 HB2 -0.02 -0.02 0.15 -0.04 1.87 1.94 3hicA1 LYS 158 HB3 -0.01 -0.04 -0.03 -0.04 1.79 1.67 3hicA1 LYS 158 HG2 -0.03 0.03 0.01 -0.04 1.46 1.44 3hicA1 LYS 158 HG3 -0.04 0.09 -0.02 -0.04 1.46 1.44 3hicA1 LYS 158 HD2 -0.01 -0.01 -0.02 -0.04 1.69 1.60 3hicA1 LYS 158 HD3 -0.02 0.12 -0.12 -0.04 1.68 1.61 3hicA1 LYS 158 HE2 -0.03 -0.08 -0.20 -0.04 2.99 2.65 3hicA1 LYS 158 HE3 -0.02 -0.05 -0.04 -0.04 2.99 2.84 3hicA1 ALA 159 H -0.01 0.53 -0.34 -0.55 8.40 8.03 3hicA1 ALA 159 HA -0.00 -0.03 0.32 -0.75 4.34 3.87 3hicA1 ALA 159 HB3 -0.01 0.01 0.08 -0.04 1.41 1.44 3hicA1 THR 160 H -0.01 0.49 -0.53 -0.55 8.28 7.68 3hicA1 THR 160 HA 0.00 0.04 0.55 -0.75 4.39 4.23 3hicA1 THR 160 HB 0.00 0.06 -0.09 -0.04 4.32 4.25 3hicA1 THR 160 HG23 -0.02 0.04 -0.00 -0.04 1.22 1.19 3hicA1 GLY 161 H 0.01 0.60 -0.22 -0.55 8.43 8.28 3hicA1 GLY 161 HA2 0.02 0.02 0.33 -0.51 4.01 3.88 3hicA1 GLY 161 HA3 0.03 -0.02 0.56 -0.51 4.01 4.06 3hicA1 ALA 162 H 0.04 -0.01 -0.52 -0.55 8.40 7.36 3hicA1 ALA 162 HA 0.09 0.26 0.40 -0.75 4.34 4.34 3hicA1 ALA 162 HB3 0.08 0.03 -0.18 -0.04 1.41 1.31 3hicA1 PHE 163 H 0.23 0.54 0.28 -0.55 8.34 8.84 3hicA1 PHE 163 HA 0.05 -0.03 0.55 -0.75 4.62 4.44 3hicA1 PHE 163 HB2 0.02 0.01 0.09 -0.04 3.15 3.23 3hicA1 PHE 163 HB3 0.00 0.08 0.02 -0.04 3.06 3.13 3hicA1 PHE 163 HD2 0.03 0.06 -0.23 -0.04 7.28 7.10 3hicA1 PHE 163 HE2 -0.06 -0.06 -0.16 -0.04 7.38 7.06 3hicA1 PHE 163 HZ -0.14 -0.05 -0.19 -0.04 7.32 6.90 3hicA1 LEU 164 H -0.43 0.08 0.25 -0.55 8.37 7.72 3hicA1 LEU 164 HA 0.01 0.47 1.10 -0.75 4.35 5.18 3hicA1 LEU 164 HB2 -0.03 0.10 -0.14 -0.04 1.64 1.53 3hicA1 LEU 164 HB3 -0.10 -0.05 0.19 -0.04 1.64 1.64 3hicA1 LEU 164 HG -0.04 -0.11 -0.24 -0.04 1.64 1.20 3hicA1 LEU 164 HD13 -0.02 0.01 -0.06 -0.04 0.93 0.83 3hicA1 LEU 164 HD23 -0.06 -0.01 -0.03 -0.04 0.89 0.75 3hicA1 GLY 165 H 0.11 0.85 0.43 -0.55 8.43 9.27 3hicA1 GLY 165 HA2 0.16 0.11 1.14 -0.51 4.01 4.91 3hicA1 GLY 165 HA3 0.37 -0.01 0.32 -0.51 4.01 4.18 3hicA1 CYS 166 H 0.11 0.95 0.42 -0.55 8.50 9.44 3hicA1 CYS 166 HA 0.13 0.34 1.18 -0.75 4.58 5.48 3hicA1 CYS 166 HB2 0.05 0.06 0.16 -0.04 2.97 3.20 3hicA1 CYS 166 HB3 0.13 -0.15 -0.04 -0.04 2.97 2.87 3hicA1 ASP 167 H 0.12 0.66 0.25 -0.55 8.40 8.88 3hicA1 ASP 167 HA 0.02 0.13 0.92 -0.75 4.63 4.95 3hicA1 ASP 167 HB2 0.17 0.09 -0.04 -0.04 2.71 2.90 3hicA1 ASP 167 HB3 0.10 -0.15 0.25 -0.04 2.70 2.87 3hicA1 ASN 168 H 0.03 0.31 -0.06 -0.55 8.53 8.27 3hicA1 ASN 168 HA 0.01 0.07 0.79 -0.75 4.76 4.87 3hicA1 ASN 168 HB2 0.11 0.08 -0.24 -0.04 2.88 2.79 3hicA1 ASN 168 HB3 0.02 -0.09 -0.07 -0.04 2.79 2.61 3hicA1 ASN 168 HD21 0.11 0.12 -0.23 -0.04 7.03 6.99 3hicA1 ASN 168 HD22 -0.11 -0.12 -0.22 -0.04 7.74 7.25 3hicA1 SER 169 H 0.01 0.15 0.12 -0.55 8.46 8.19 3hicA1 SER 169 HA 0.00 0.26 0.91 -0.75 4.49 4.90 3hicA1 SER 169 HB2 0.01 0.01 0.03 -0.04 3.95 3.95 3hicA1 SER 169 HB3 0.00 -0.07 0.16 -0.04 3.93 3.99 3hicA1 GLY 170 H 0.00 0.17 0.16 -0.55 8.43 8.21 3hicA1 GLY 170 HA2 -0.01 0.13 0.35 -0.51 4.01 3.97 3hicA1 GLY 170 HA3 -0.00 0.02 0.41 -0.51 4.01 3.93 3hicA1 GLU 171 H -0.09 0.16 0.21 -0.55 8.60 8.33 3hicA1 GLU 171 HA -0.10 0.12 0.40 -0.75 4.29 3.96 3hicA1 GLU 171 HB2 -0.41 -0.01 0.13 -0.04 2.09 1.75 3hicA1 GLU 171 HB3 -0.26 0.05 0.08 -0.04 1.99 1.82 3hicA1 GLU 171 HG2 -0.11 -0.05 0.13 -0.04 2.34 2.27 3hicA1 GLU 171 HG3 -0.14 0.03 0.07 -0.04 2.34 2.26 3hicA1 TYR 172 H -0.10 0.15 -0.15 -0.55 8.29 7.65 3hicA1 TYR 172 HA -0.16 0.08 0.47 -0.75 4.56 4.20 3hicA1 TYR 172 HB2 -0.25 0.09 0.13 -0.04 3.06 2.99 3hicA1 TYR 172 HB3 -0.70 0.04 0.01 -0.04 2.98 2.29 3hicA1 TYR 172 HD2 -0.84 0.01 0.03 -0.04 7.15 6.31 3hicA1 TYR 172 HE2 -0.10 0.03 -0.09 -0.04 6.85 6.65 3hicA1 LEU 173 H 0.04 0.45 -0.45 -0.55 8.37 7.87 3hicA1 LEU 173 HA 0.09 0.07 0.30 -0.75 4.35 4.05 3hicA1 LEU 173 HB2 0.02 -0.01 -0.47 -0.04 1.64 1.14 3hicA1 LEU 173 HB3 0.01 0.08 -0.17 -0.04 1.64 1.52 3hicA1 LEU 173 HG -0.01 0.05 -0.28 -0.04 1.64 1.36 3hicA1 LEU 173 HD13 -0.01 0.02 0.01 -0.04 0.93 0.91 3hicA1 LEU 173 HD23 -0.02 0.00 -0.00 -0.04 0.89 0.83 3hicA1 ASN 174 H -0.00 0.33 -0.23 -0.55 8.53 8.09 3hicA1 ASN 174 HA 0.00 0.08 0.33 -0.75 4.76 4.42 3hicA1 ASN 174 HB2 -0.03 0.04 0.08 -0.04 2.88 2.93 3hicA1 ASN 174 HB3 -0.01 0.06 0.00 -0.04 2.79 2.80 3hicA1 ASN 174 HD21 -0.03 -0.07 -0.17 -0.04 7.03 6.72 3hicA1 ASN 174 HD22 -0.04 -0.07 -0.07 -0.04 7.74 7.51 3hicA1 LEU 175 H 0.04 0.34 -0.34 -0.55 8.37 7.87 3hicA1 LEU 175 HA 0.05 0.03 0.41 -0.75 4.35 4.08 3hicA1 LEU 175 HB2 0.06 0.07 0.16 -0.04 1.64 1.88 3hicA1 LEU 175 HB3 0.32 0.10 0.08 -0.04 1.64 2.10 3hicA1 LEU 175 HG 0.18 0.05 -0.11 -0.04 1.64 1.72 3hicA1 LEU 175 HD13 0.04 -0.01 0.03 -0.04 0.93 0.95 3hicA1 LEU 175 HD23 0.24 -0.04 -0.00 -0.04 0.89 1.04 3hicA1 ALA 176 H 0.17 0.33 -0.24 -0.55 8.40 8.12 3hicA1 ALA 176 HA 0.07 0.03 0.32 -0.75 4.34 4.00 3hicA1 ALA 176 HB3 0.12 0.00 0.08 -0.04 1.41 1.56 3hicA1 VAL 177 H 0.04 0.27 -0.33 -0.55 8.24 7.67 3hicA1 VAL 177 HA 0.00 0.05 0.42 -0.75 4.13 3.85 3hicA1 VAL 177 HB 0.01 0.06 0.10 -0.04 2.12 2.25 3hicA1 VAL 177 HG13 -0.00 -0.01 -0.16 -0.04 0.97 0.76 3hicA1 VAL 177 HG23 -0.01 -0.00 -0.04 -0.04 0.95 0.86 3hicA1 GLU 178 H 0.02 0.34 -0.18 -0.55 8.60 8.23 3hicA1 GLU 178 HA 0.00 0.01 0.23 -0.75 4.29 3.78 3hicA1 GLU 178 HB2 0.02 0.05 0.16 -0.04 2.09 2.28 3hicA1 GLU 178 HB3 0.01 -0.10 0.11 -0.04 1.99 1.96 3hicA1 GLU 178 HG2 0.00 -0.04 0.01 -0.04 2.34 2.26 3hicA1 GLU 178 HG3 0.01 0.53 0.13 -0.04 2.34 2.96 3hicA1 GLY 180 HA2 -0.00 0.09 0.25 -0.51 4.01 3.83 3hicA1 GLY 180 HA3 -0.00 -0.14 0.43 -0.51 4.01 3.79 3hicA1 VAL 181 H -0.01 0.26 0.19 -0.55 8.24 8.13 3hicA1 VAL 181 HA -0.05 0.09 0.64 -0.75 4.13 4.05 3hicA1 VAL 181 HB -0.04 0.02 0.15 -0.04 2.12 2.21 3hicA1 VAL 181 HG13 -0.02 0.04 0.03 -0.04 0.97 0.99 3hicA1 VAL 181 HG23 -0.01 -0.01 -0.16 -0.04 0.95 0.73 3hicA1 ASP 182 H -0.18 0.47 0.42 -0.55 8.40 8.56 3hicA1 ASP 182 HA 0.01 0.15 0.74 -0.75 4.63 4.78 3hicA1 ASP 182 HB2 -1.06 0.06 0.15 -0.04 2.71 1.82 3hicA1 ASP 182 HB3 -0.28 -0.06 0.10 -0.04 2.70 2.41 3hicA1 PHE 183 H 0.01 0.23 0.22 -0.55 8.34 8.25 3hicA1 PHE 183 HA 0.11 0.36 0.88 -0.75 4.62 5.22 3hicA1 PHE 183 HB2 0.32 0.10 -0.12 -0.04 3.15 3.41 3hicA1 PHE 183 HB3 0.08 -0.08 -0.01 -0.04 3.06 3.01 3hicA1 PHE 183 HD2 0.12 -0.02 -0.11 -0.04 7.28 7.23 3hicA1 PHE 183 HE2 -0.33 -0.08 -0.20 -0.04 7.38 6.73 3hicA1 PHE 183 HZ -0.05 -0.08 -0.18 -0.04 7.32 6.97 3hicA1 ILE 184 H -0.56 0.47 0.36 -0.55 8.25 7.97 3hicA1 ILE 184 HA -0.52 0.38 0.79 -0.75 4.18 4.07 3hicA1 ILE 184 HB -0.18 -0.14 0.13 -0.04 1.89 1.67 3hicA1 ILE 184 HG12 -0.13 0.06 -0.09 -0.04 1.49 1.30 3hicA1 ILE 184 HG13 -0.19 -0.04 -0.07 -0.04 1.21 0.87 3hicA1 ILE 184 HG23 -0.07 0.04 -0.05 -0.04 0.93 0.81 3hicA1 ILE 184 HD13 -0.06 -0.01 -0.09 -0.04 0.88 0.68 3hicA1 LYS 185 H -0.29 0.11 0.14 -0.55 8.42 7.83 3hicA1 LYS 185 HA -0.27 0.58 1.09 -0.75 4.32 4.97 3hicA1 LYS 185 HB2 -0.15 0.02 -0.08 -0.04 1.87 1.63 3hicA1 LYS 185 HB3 -0.08 -0.11 0.19 -0.04 1.79 1.75 3hicA1 LYS 185 HG2 -0.15 -0.11 0.06 -0.04 1.46 1.21 3hicA1 LYS 185 HG3 -0.19 0.12 -0.01 -0.04 1.46 1.34 3hicA1 LYS 185 HD2 -0.41 -0.01 -0.07 -0.04 1.69 1.16 3hicA1 LYS 185 HD3 0.24 0.03 -0.07 -0.04 1.68 1.84 3hicA1 LYS 185 HE2 0.10 0.15 0.09 -0.04 2.99 3.29 3hicA1 LYS 185 HE3 0.06 -0.03 0.03 -0.04 2.99 3.01 3hicA1 PRO 186 HA -0.07 0.01 0.61 -0.51 4.44 4.48 3hicA1 PRO 186 HB2 -0.05 -0.05 -0.01 -0.04 2.28 2.13 3hicA1 PRO 186 HB3 -0.06 0.03 0.04 -0.04 2.02 1.99 3hicA1 PRO 186 HG2 -0.07 -0.01 -0.08 -0.04 2.03 1.84 3hicA1 PRO 186 HG3 -0.07 0.08 -0.07 -0.04 2.03 1.93 3hicA1 PRO 186 HD2 -0.16 0.34 -0.08 -0.04 3.68 3.75 3hicA1 PRO 186 HD3 -0.16 0.03 -0.16 -0.04 3.65 3.31 3hicA1 ASN 187 H -0.05 -0.01 0.23 -0.55 8.53 8.16 3hicA1 ASN 187 HA -0.06 0.32 0.94 -0.75 4.76 5.21 3hicA1 ASN 187 HB2 -0.04 -0.01 0.26 -0.04 2.88 3.05 3hicA1 ASN 187 HB3 -0.05 0.10 0.15 -0.04 2.79 2.95 3hicA1 ASN 187 HD21 -0.02 -0.00 0.06 -0.04 7.03 7.02 3hicA1 ASN 187 HD22 -0.03 0.11 0.08 -0.04 7.74 7.85 3hicA1 GLU 188 H -0.04 0.33 0.23 -0.55 8.60 8.57 3hicA1 GLU 188 HA -0.03 0.12 0.37 -0.75 4.29 4.00 3hicA1 GLU 188 HB2 -0.02 -0.06 0.20 -0.04 2.09 2.17 3hicA1 GLU 188 HB3 -0.02 0.04 -0.04 -0.04 1.99 1.92 3hicA1 GLU 188 HG2 -0.02 -0.01 0.02 -0.04 2.34 2.30 3hicA1 GLU 188 HG3 -0.03 0.12 0.07 -0.04 2.34 2.46 3hicA1 ASP 189 H -0.02 0.11 -0.04 -0.55 8.40 7.90 3hicA1 ASP 189 HA -0.02 0.12 0.43 -0.75 4.63 4.41 3hicA1 ASP 189 HB2 -0.02 -0.05 0.08 -0.04 2.71 2.68 3hicA1 ASP 189 HB3 -0.02 0.05 -0.02 -0.04 2.70 2.68 3hicA1 GLU 190 H -0.03 0.06 -0.30 -0.55 8.60 7.79 3hicA1 GLU 190 HA -0.02 0.06 0.48 -0.75 4.29 4.05 3hicA1 GLU 190 HB2 -0.04 0.01 0.17 -0.04 2.09 2.19 3hicA1 GLU 190 HB3 -0.03 0.08 0.05 -0.04 1.99 2.06 3hicA1 GLU 190 HG2 -0.02 -0.00 0.07 -0.04 2.34 2.34 3hicA1 GLU 190 HG3 -0.02 -0.08 0.06 -0.04 2.34 2.26 3hicA1 VAL 191 H -0.03 0.51 -0.16 -0.55 8.24 8.01 3hicA1 VAL 191 HA -0.03 0.08 0.38 -0.75 4.13 3.82 3hicA1 VAL 191 HB -0.02 0.11 0.13 -0.04 2.12 2.29 3hicA1 VAL 191 HG13 -0.02 0.00 -0.25 -0.04 0.97 0.66 3hicA1 VAL 191 HG23 -0.03 0.03 -0.11 -0.04 0.95 0.79 3hicA1 ILE 192 H -0.02 0.43 -0.13 -0.55 8.25 7.98 3hicA1 ILE 192 HA -0.01 0.05 0.42 -0.75 4.18 3.88 3hicA1 ILE 192 HB -0.01 0.05 0.15 -0.04 1.89 2.03 3hicA1 ILE 192 HG12 -0.01 0.06 0.04 -0.04 1.49 1.53 3hicA1 ILE 192 HG13 -0.02 0.05 0.08 -0.04 1.21 1.28 3hicA1 ILE 192 HG23 -0.01 0.07 -0.09 -0.04 0.93 0.86 3hicA1 ILE 192 HD13 -0.01 -0.04 -0.04 -0.04 0.88 0.75 3hicA1 ALA 193 H -0.02 0.39 -0.23 -0.55 8.40 7.99 3hicA1 ALA 193 HA -0.01 0.04 0.48 -0.75 4.34 4.08 3hicA1 ALA 193 HB3 -0.02 -0.01 0.08 -0.04 1.41 1.42 3hicA1 ILE 194 H -0.02 0.58 -0.13 -0.55 8.25 8.13 3hicA1 ILE 194 HA -0.01 -0.02 0.39 -0.75 4.18 3.78 3hicA1 ILE 194 HB -0.02 0.09 0.16 -0.04 1.89 2.09 3hicA1 ILE 194 HG12 -0.01 -0.08 -0.07 -0.04 1.49 1.29 3hicA1 ILE 194 HG13 -0.02 0.09 0.06 -0.04 1.21 1.30 3hicA1 ILE 194 HG23 -0.01 0.01 -0.15 -0.04 0.93 0.74 3hicA1 ILE 194 HD13 -0.02 -0.03 -0.13 -0.04 0.88 0.65 3hicA1 LEU 195 H -0.01 0.40 -0.14 -0.55 8.37 8.07 3hicA1 LEU 195 HA -0.01 0.15 0.53 -0.75 4.35 4.27 3hicA1 LEU 195 HB2 -0.01 -0.06 0.05 -0.04 1.64 1.57 3hicA1 LEU 195 HB3 -0.01 -0.05 -0.00 -0.04 1.64 1.54 3hicA1 LEU 195 HG -0.01 0.09 0.03 -0.04 1.64 1.71 3hicA1 LEU 195 HD13 -0.01 0.01 -0.01 -0.04 0.93 0.88 3hicA1 LEU 195 HD23 -0.01 0.01 -0.10 -0.04 0.89 0.75 3hicA1 ASP 196 H -0.01 0.29 -0.33 -0.55 8.40 7.80 3hicA1 ASP 196 HA -0.01 -0.02 0.31 -0.75 4.63 4.16 3hicA1 ASP 196 HB2 -0.01 0.09 -0.10 -0.04 2.71 2.65 3hicA1 ASP 196 HB3 -0.01 0.20 0.07 -0.04 2.70 2.91 3hicA1 GLU 197 H -0.01 0.29 -0.06 -0.55 8.60 8.27 3hicA1 GLU 197 HA -0.01 0.11 0.81 -0.75 4.29 4.45 3hicA1 GLU 197 HB2 -0.01 0.13 -0.20 -0.04 2.09 1.97 3hicA1 GLU 197 HB3 -0.01 -0.03 0.02 -0.04 1.99 1.93 3hicA1 GLU 197 HG2 -0.01 0.09 0.00 -0.04 2.34 2.38 3hicA1 GLU 197 HG3 -0.01 0.04 -0.07 -0.04 2.34 2.26 3hicA1 LYS 198 H -0.01 0.13 0.12 -0.55 8.42 8.11 3hicA1 LYS 198 HA -0.01 0.27 1.00 -0.75 4.32 4.84 3hicA1 LYS 198 HB2 -0.01 0.01 -0.02 -0.04 1.87 1.81 3hicA1 LYS 198 HB3 -0.01 0.00 0.08 -0.04 1.79 1.83 3hicA1 LYS 198 HG2 -0.01 0.04 -0.28 -0.04 1.46 1.17 3hicA1 LYS 198 HG3 -0.01 0.03 -0.25 -0.04 1.46 1.19 3hicA1 LYS 198 HD2 -0.01 0.00 -0.05 -0.04 1.69 1.59 3hicA1 LYS 198 HD3 -0.01 -0.02 -0.05 -0.04 1.68 1.56 3hicA1 LYS 198 HE2 -0.01 -0.02 -0.05 -0.04 2.99 2.87 3hicA1 LYS 198 HE3 -0.01 -0.00 -0.10 -0.04 2.99 2.83 3hicA1 THR 199 H -0.01 -0.01 0.05 -0.55 8.28 7.77 3hicA1 THR 199 HA -0.01 0.31 1.08 -0.75 4.39 5.02 3hicA1 THR 199 HB -0.01 0.02 0.05 -0.04 4.32 4.34 3hicA1 THR 199 HG23 -0.01 -0.00 -0.09 -0.04 1.22 1.08 3hicA1 ASN 200 H -0.01 0.01 -0.08 -0.55 8.53 7.91 3hicA1 ASN 200 HA -0.01 0.16 0.71 -0.75 4.76 4.87 3hicA1 ASN 200 HB2 -0.01 0.04 -0.09 -0.04 2.88 2.79 3hicA1 ASN 200 HB3 -0.01 -0.06 0.04 -0.04 2.79 2.73 3hicA1 ASN 200 HD21 -0.01 0.05 -0.06 -0.04 7.03 6.97 3hicA1 ASN 200 HD22 -0.01 0.04 -0.10 -0.04 7.74 7.64 3hicA1 SER 201 H -0.01 0.10 0.11 -0.55 8.46 8.11 3hicA1 SER 201 HA -0.01 0.17 0.39 -0.75 4.49 4.29 3hicA1 SER 201 HB2 -0.01 -0.02 0.13 -0.04 3.95 4.02 3hicA1 SER 201 HB3 -0.01 0.13 0.12 -0.04 3.93 4.14 3hicA1 LEU 202 H -0.01 0.19 0.14 -0.55 8.37 8.15 3hicA1 LEU 202 HA -0.01 0.16 0.38 -0.75 4.35 4.13 3hicA1 LEU 202 HB2 -0.01 0.06 0.09 -0.04 1.64 1.74 3hicA1 LEU 202 HB3 -0.01 -0.02 0.09 -0.04 1.64 1.66 3hicA1 LEU 202 HG -0.01 0.01 -0.27 -0.04 1.64 1.33 3hicA1 LEU 202 HD13 -0.01 0.00 0.01 -0.04 0.93 0.88 3hicA1 LEU 202 HD23 -0.01 0.01 -0.05 -0.04 0.89 0.80 3hicA1 GLU 203 H -0.01 0.08 -0.14 -0.55 8.60 7.98 3hicA1 GLU 203 HA -0.01 0.13 0.32 -0.75 4.29 3.98 3hicA1 GLU 203 HB2 -0.01 -0.06 0.02 -0.04 2.09 2.00 3hicA1 GLU 203 HB3 -0.01 0.10 -0.08 -0.04 1.99 1.96 3hicA1 GLU 203 HG2 -0.01 0.08 -0.04 -0.04 2.34 2.33 3hicA1 GLU 203 HG3 -0.00 0.04 -0.05 -0.04 2.34 2.29 3hicA1 GLU 204 H -0.01 0.03 -0.46 -0.55 8.60 7.61 3hicA1 GLU 204 HA -0.01 0.12 0.36 -0.75 4.29 4.00 3hicA1 GLU 204 HB2 -0.01 -0.04 0.04 -0.04 2.09 2.04 3hicA1 GLU 204 HB3 -0.01 0.09 -0.00 -0.04 1.99 2.03 3hicA1 GLU 204 HG2 -0.01 -0.03 -0.03 -0.04 2.34 2.23 3hicA1 GLU 204 HG3 -0.01 0.04 -0.22 -0.04 2.34 2.11 3hicA1 ASN 205 H -0.01 0.36 -0.33 -0.55 8.53 8.01 3hicA1 ASN 205 HA -0.01 0.05 0.37 -0.75 4.76 4.41 3hicA1 ASN 205 HB2 -0.01 0.10 0.09 -0.04 2.88 3.01 3hicA1 ASN 205 HB3 -0.01 -0.01 -0.11 -0.04 2.79 2.62 3hicA1 ASN 205 HD21 -0.01 0.08 -0.16 -0.04 7.03 6.90 3hicA1 ASN 205 HD22 -0.01 -0.09 -0.08 -0.04 7.74 7.51 3hicA1 ILE 206 H -0.01 0.48 -0.27 -0.55 8.25 7.91 3hicA1 ILE 206 HA -0.01 0.04 0.39 -0.75 4.18 3.85 3hicA1 ILE 206 HB -0.00 0.08 0.08 -0.04 1.89 2.01 3hicA1 ILE 206 HG12 -0.01 -0.03 -0.08 -0.04 1.49 1.33 3hicA1 ILE 206 HG13 -0.01 0.23 -0.01 -0.04 1.21 1.38 3hicA1 ILE 206 HG23 0.01 0.00 -0.20 -0.04 0.93 0.70 3hicA1 ILE 206 HD13 -0.00 -0.02 -0.12 -0.04 0.88 0.69 3hicA1 ARG 207 H -0.01 0.51 -0.12 -0.55 8.46 8.30 3hicA1 ARG 207 HA -0.01 0.05 0.31 -0.75 4.34 3.93 3hicA1 ARG 207 HB2 -0.01 0.02 0.07 -0.04 1.90 1.93 3hicA1 ARG 207 HB3 -0.02 0.01 -0.04 -0.04 1.80 1.71 3hicA1 ARG 207 HG2 -0.02 0.00 -0.08 -0.04 1.67 1.53 3hicA1 ARG 207 HG3 -0.02 0.07 -0.03 -0.04 1.67 1.66 3hicA1 ARG 207 HD2 -0.02 -0.05 -0.11 -0.04 3.22 3.00 3hicA1 ARG 207 HD3 -0.02 0.06 -0.06 -0.04 3.22 3.15 3hicA1 THR 208 H -0.01 0.36 -0.48 -0.55 8.28 7.60 3hicA1 THR 208 HA -0.01 0.06 0.45 -0.75 4.39 4.14 3hicA1 THR 208 HB -0.01 0.08 0.13 -0.04 4.32 4.49 3hicA1 THR 208 HG23 -0.01 -0.01 -0.13 -0.04 1.22 1.03 3hicA1 LEU 209 H -0.01 0.51 -0.07 -0.55 8.37 8.26 3hicA1 LEU 209 HA -0.01 0.07 0.43 -0.75 4.35 4.08 3hicA1 LEU 209 HB2 -0.01 0.00 0.09 -0.04 1.64 1.68 3hicA1 LEU 209 HB3 -0.01 0.06 0.10 -0.04 1.64 1.75 3hicA1 LEU 209 HG -0.01 0.03 -0.13 -0.04 1.64 1.48 3hicA1 LEU 209 HD13 -0.01 -0.00 -0.01 -0.04 0.93 0.87 3hicA1 LEU 209 HD23 -0.02 -0.03 -0.06 -0.04 0.89 0.74 3hicA1 ALA 210 H -0.00 0.45 -0.35 -0.55 8.40 7.95 3hicA1 ALA 210 HA 0.02 0.17 0.38 -0.75 4.34 4.16 3hicA1 ALA 210 HB3 0.01 0.02 0.01 -0.04 1.41 1.41 3hicA1 GLU 211 H -0.00 0.31 -0.80 -0.55 8.60 7.57 3hicA1 GLU 211 HA -0.01 -0.00 0.40 -0.75 4.29 3.93 3hicA1 GLU 211 HB2 -0.01 0.28 0.09 -0.04 2.09 2.41 3hicA1 GLU 211 HB3 -0.01 -0.07 0.03 -0.04 1.99 1.91 3hicA1 GLU 211 HG2 -0.01 0.13 0.07 -0.04 2.34 2.49 3hicA1 GLU 211 HG3 -0.01 -0.09 0.05 -0.04 2.34 2.25 3hicA1 LYS 212 H 0.00 0.45 -0.35 -0.55 8.42 7.96 3hicA1 LYS 212 HA 0.00 0.16 0.90 -0.75 4.32 4.64 3hicA1 LYS 212 HB2 -0.00 0.02 0.04 -0.04 1.87 1.90 3hicA1 LYS 212 HB3 0.00 0.10 0.04 -0.04 1.79 1.89 3hicA1 LYS 212 HG2 -0.00 0.02 -0.08 -0.04 1.46 1.35 3hicA1 LYS 212 HG3 -0.00 -0.09 -0.21 -0.04 1.46 1.12 3hicA1 LYS 212 HD2 -0.00 -0.10 -0.06 -0.04 1.69 1.48 3hicA1 LYS 212 HD3 -0.00 -0.05 -0.07 -0.04 1.68 1.52 3hicA1 LYS 212 HE2 -0.00 -0.09 -0.09 -0.04 2.99 2.77 3hicA1 LYS 212 HE3 -0.00 0.23 -0.04 -0.04 2.99 3.14 3hicA1 ILE 213 H 0.01 0.16 -0.02 -0.55 8.25 7.85 3hicA1 ILE 213 HA 0.03 0.45 0.88 -0.75 4.18 4.78 3hicA1 ILE 213 HB 0.02 -0.12 -0.03 -0.04 1.89 1.73 3hicA1 ILE 213 HG12 0.00 0.02 -0.19 -0.04 1.49 1.27 3hicA1 ILE 213 HG13 -0.02 -0.16 -0.14 -0.04 1.21 0.85 3hicA1 ILE 213 HG23 0.05 -0.05 -0.40 -0.04 0.93 0.48 3hicA1 ILE 213 HD13 -0.00 0.08 -0.19 -0.04 0.88 0.73 3hicA1 PRO 214 HA 0.01 0.00 0.52 -0.51 4.44 4.46 3hicA1 PRO 214 HB2 0.08 -0.04 0.05 -0.04 2.28 2.32 3hicA1 PRO 214 HB3 0.04 -0.02 0.10 -0.04 2.02 2.11 3hicA1 PRO 214 HG2 0.25 0.17 0.30 -0.04 2.03 2.71 3hicA1 PRO 214 HG3 0.12 0.02 0.11 -0.04 2.03 2.25 3hicA1 PRO 214 HD2 0.07 0.35 0.36 -0.04 3.68 4.42 3hicA1 PRO 214 HD3 0.05 0.16 -0.01 -0.04 3.65 3.81 3hicA1 TYR 215 H 0.33 0.56 -0.04 -0.55 8.29 8.59 3hicA1 TYR 215 HA 0.36 0.15 0.96 -0.75 4.56 5.28 3hicA1 TYR 215 HB2 0.50 0.22 0.24 -0.04 3.06 3.98 3hicA1 TYR 215 HB3 0.65 -0.10 0.06 -0.04 2.98 3.55 3hicA1 TYR 215 HD2 0.36 0.02 -0.05 -0.04 7.15 7.45 3hicA1 TYR 215 HE2 -0.07 -0.03 -0.05 -0.04 6.85 6.66 3hicA1 LEU 216 H 0.21 0.56 0.14 -0.55 8.37 8.73 3hicA1 LEU 216 HA 0.00 0.16 1.00 -0.75 4.35 4.75 3hicA1 LEU 216 HB2 0.04 0.10 -0.07 -0.04 1.64 1.66 3hicA1 LEU 216 HB3 0.07 0.02 0.18 -0.04 1.64 1.87 3hicA1 LEU 216 HG 0.01 -0.09 -0.26 -0.04 1.64 1.26 3hicA1 LEU 216 HD13 -0.05 0.01 -0.11 -0.04 0.93 0.73 3hicA1 LEU 216 HD23 0.01 -0.02 -0.09 -0.04 0.89 0.74 3hicA1 VAL 217 H -0.13 0.56 0.30 -0.55 8.24 8.42 3hicA1 VAL 217 HA 0.03 0.19 1.01 -0.75 4.13 4.61 3hicA1 VAL 217 HB -0.09 -0.01 0.15 -0.04 2.12 2.13 3hicA1 VAL 217 HG13 -0.09 -0.02 -0.24 -0.04 0.97 0.58 3hicA1 VAL 217 HG23 -0.11 0.01 -0.23 -0.04 0.95 0.58 3hicA1 VAL 218 H -0.03 0.70 0.27 -0.55 8.24 8.63 3hicA1 VAL 218 HA -0.09 0.45 0.91 -0.75 4.13 4.64 3hicA1 VAL 218 HB -0.03 -0.05 0.14 -0.04 2.12 2.14 3hicA1 VAL 218 HG13 -0.04 -0.01 -0.29 -0.04 0.97 0.59 3hicA1 VAL 218 HG23 -0.03 0.00 -0.15 -0.04 0.95 0.73 3hicA1 SER 219 H -0.11 0.46 0.18 -0.55 8.46 8.44 3hicA1 SER 219 HA -0.15 0.21 0.74 -0.75 4.49 4.53 3hicA1 SER 219 HB2 -0.13 -0.02 0.08 -0.04 3.95 3.83 3hicA1 SER 219 HB3 -0.22 0.09 0.03 -0.04 3.93 3.79 3hicA1 LEU 220 H -0.07 0.99 0.28 -0.55 8.37 9.01 3hicA1 LEU 220 HA -0.04 0.03 0.85 -0.75 4.35 4.43 3hicA1 LEU 220 HB2 -0.02 0.08 -0.28 -0.04 1.64 1.38 3hicA1 LEU 220 HB3 -0.02 -0.08 0.05 -0.04 1.64 1.56 3hicA1 LEU 220 HG -0.03 0.09 -0.21 -0.04 1.64 1.44 3hicA1 LEU 220 HD13 -0.00 0.02 -0.20 -0.04 0.93 0.70 3hicA1 LEU 220 HD23 -0.02 -0.00 -0.22 -0.04 0.89 0.60 3hicA1 GLY 221 H -0.05 0.09 -0.21 -0.55 8.43 7.71 3hicA1 GLY 221 HA2 -0.03 0.05 0.34 -0.51 4.01 3.85 3hicA1 GLY 221 HA3 -0.02 -0.03 0.44 -0.51 4.01 3.89 3hicA1 ALA 222 H -0.01 0.09 0.27 -0.55 8.40 8.20 3hicA1 ALA 222 HA -0.01 0.15 0.54 -0.75 4.34 4.27 3hicA1 ALA 222 HB3 -0.00 0.01 0.12 -0.04 1.41 1.49 3hicA1 LYS 223 H -0.01 0.31 -0.02 -0.55 8.42 8.14 3hicA1 LYS 223 HA 0.00 0.13 0.54 -0.75 4.32 4.24 3hicA1 LYS 223 HB2 -0.00 -0.08 0.10 -0.04 1.87 1.85 3hicA1 LYS 223 HB3 -0.01 0.04 0.04 -0.04 1.79 1.83 3hicA1 LYS 223 HG2 0.00 -0.08 0.03 -0.04 1.46 1.38 3hicA1 LYS 223 HG3 0.01 0.02 0.05 -0.04 1.46 1.50 3hicA1 LYS 223 HD2 0.01 0.13 0.20 -0.04 1.69 1.99 3hicA1 LYS 223 HD3 0.01 -0.05 0.06 -0.04 1.68 1.66 3hicA1 LYS 223 HE2 0.02 0.02 0.02 -0.04 2.99 3.01 3hicA1 LYS 223 HE3 0.02 0.02 0.02 -0.04 2.99 3.01 3hicA1 GLY 224 H -0.01 0.14 -0.85 -0.55 8.43 7.16 3hicA1 GLY 224 HA2 -0.01 -0.00 0.24 -0.51 4.01 3.72 3hicA1 GLY 224 HA3 0.01 0.42 0.84 -0.51 4.01 4.76 3hicA1 SER 225 H 0.01 0.64 0.38 -0.55 8.46 8.95 3hicA1 SER 225 HA -0.04 -0.01 0.53 -0.75 4.49 4.21 3hicA1 SER 225 HB2 -0.10 0.18 0.01 -0.04 3.95 4.00 3hicA1 SER 225 HB3 -0.17 -0.04 -0.15 -0.04 3.93 3.53 3hicA1 ILE 226 H -0.01 0.56 0.32 -0.55 8.25 8.57 3hicA1 ILE 226 HA 0.08 0.43 1.14 -0.75 4.18 5.07 3hicA1 ILE 226 HB 0.01 -0.07 0.09 -0.04 1.89 1.88 3hicA1 ILE 226 HG12 0.03 0.07 -0.04 -0.04 1.49 1.51 3hicA1 ILE 226 HG13 0.01 -0.05 -0.40 -0.04 1.21 0.73 3hicA1 ILE 226 HG23 0.04 -0.00 -0.20 -0.04 0.93 0.72 3hicA1 ILE 226 HD13 0.00 -0.03 -0.11 -0.04 0.88 0.70 3hicA1 CYS 227 H 0.18 0.58 0.36 -0.55 8.50 9.07 3hicA1 CYS 227 HA 0.13 0.37 1.27 -0.75 4.58 5.60 3hicA1 CYS 227 HB2 0.21 -0.04 -0.08 -0.04 2.97 3.01 3hicA1 CYS 227 HB3 0.29 -0.08 0.06 -0.04 2.97 3.20 3hicA1 ALA 228 H 0.14 0.60 0.34 -0.55 8.40 8.94 3hicA1 ALA 228 HA 0.09 0.30 1.09 -0.75 4.34 5.07 3hicA1 ALA 228 HB3 0.05 -0.03 0.00 -0.04 1.41 1.39 3hicA1 HIS 229 H 0.14 0.62 0.25 -0.55 8.41 8.87 3hicA1 HIS 229 HA -0.03 0.35 0.72 -0.75 4.63 4.92 3hicA1 HIS 229 HB2 0.11 0.12 -0.07 -0.04 3.26 3.38 3hicA1 HIS 229 HB3 0.24 -0.11 -0.06 -0.04 3.20 3.23 3hicA1 HIS 229 HD2 0.09 -0.11 -0.11 -0.04 6.97 6.79 3hicA1 HIS 229 HE1 -0.49 0.04 -0.00 -0.04 7.75 7.25 3hicA1 ASN 230 H -0.47 0.33 0.21 -0.55 8.53 8.05 3hicA1 ASN 230 HA -0.25 0.08 0.38 -0.75 4.76 4.21 3hicA1 ASN 230 HB2 -0.74 0.02 -0.04 -0.04 2.88 2.08 3hicA1 ASN 230 HB3 -0.17 0.07 0.03 -0.04 2.79 2.67 3hicA1 ASN 230 HD21 -0.02 -0.02 0.06 -0.04 7.03 7.00 3hicA1 ASN 230 HD22 -0.01 -0.03 0.07 -0.04 7.74 7.73 3hicA1 GLY 231 H -0.09 0.13 -0.24 -0.55 8.43 7.69 3hicA1 GLY 231 HA2 -0.05 0.02 0.26 -0.51 4.01 3.73 3hicA1 GLY 231 HA3 -0.05 0.08 0.43 -0.51 4.01 3.96 3hicA1 LYS 232 H -0.05 0.55 -0.38 -0.55 8.42 7.99 3hicA1 LYS 232 HA -0.14 0.12 0.97 -0.75 4.32 4.52 3hicA1 LYS 232 HB2 -0.12 0.11 0.06 -0.04 1.87 1.87 3hicA1 LYS 232 HB3 -0.42 -0.05 0.06 -0.04 1.79 1.33 3hicA1 LYS 232 HG2 -0.08 -0.03 -0.04 -0.04 1.46 1.26 3hicA1 LYS 232 HG3 -0.05 0.13 -0.18 -0.04 1.46 1.32 3hicA1 LYS 232 HD2 0.07 0.02 0.00 -0.04 1.69 1.74 3hicA1 LYS 232 HD3 -0.02 -0.06 0.00 -0.04 1.68 1.56 3hicA1 LYS 232 HE2 -0.01 -0.05 0.00 -0.04 2.99 2.89 3hicA1 LYS 232 HE3 -0.00 0.08 0.01 -0.04 2.99 3.04 3hicA1 LEU 233 H -0.26 0.17 0.24 -0.55 8.37 7.98 3hicA1 LEU 233 HA -0.08 0.34 1.03 -0.75 4.35 4.89 3hicA1 LEU 233 HB2 -0.08 -0.01 -0.05 -0.04 1.64 1.46 3hicA1 LEU 233 HB3 -0.08 -0.06 0.05 -0.04 1.64 1.50 3hicA1 LEU 233 HG -0.00 0.01 -0.16 -0.04 1.64 1.45 3hicA1 LEU 233 HD13 0.01 0.03 -0.20 -0.04 0.93 0.72 3hicA1 LEU 233 HD23 -0.02 -0.03 -0.11 -0.04 0.89 0.70 3hicA1 TYR 234 H 0.13 0.71 0.36 -0.55 8.29 8.94 3hicA1 TYR 234 HA 0.05 0.27 1.14 -0.75 4.56 5.26 3hicA1 TYR 234 HB2 0.09 -0.06 0.08 -0.04 3.06 3.13 3hicA1 TYR 234 HB3 0.07 0.03 -0.11 -0.04 2.98 2.93 3hicA1 TYR 234 HD2 0.09 0.08 -0.19 -0.04 7.15 7.09 3hicA1 TYR 234 HE2 0.10 0.03 -0.11 -0.04 6.85 6.83 3hicA1 GLN 235 H 0.13 0.96 0.36 -0.55 8.47 9.38 3hicA1 GLN 235 HA 0.07 0.16 0.98 -0.75 4.36 4.81 3hicA1 GLN 235 HB2 0.04 -0.08 0.01 -0.04 2.15 2.08 3hicA1 GLN 235 HB3 0.06 0.01 0.20 -0.04 2.02 2.25 3hicA1 GLN 235 HG2 0.05 0.01 -0.29 -0.04 2.40 2.13 3hicA1 GLN 235 HG3 0.04 0.08 -0.06 -0.04 2.39 2.40 3hicA1 GLN 235 HE21 0.02 -0.06 -0.03 -0.04 6.97 6.85 3hicA1 GLN 235 HE22 0.02 0.07 -0.05 -0.04 7.69 7.68 3hicA1 VAL 236 H 0.08 0.88 0.39 -0.55 8.24 9.03 3hicA1 VAL 236 HA 0.08 0.22 0.95 -0.75 4.13 4.63 3hicA1 VAL 236 HB 0.08 -0.13 0.12 -0.04 2.12 2.15 3hicA1 VAL 236 HG13 0.11 0.02 -0.24 -0.04 0.97 0.81 3hicA1 VAL 236 HG23 0.14 0.00 -0.21 -0.04 0.95 0.83 3hicA1 ILE 237 H 0.05 0.69 0.31 -0.55 8.25 8.76 3hicA1 ILE 237 HA 0.03 0.28 0.95 -0.75 4.18 4.69 3hicA1 ILE 237 HB 0.03 -0.06 0.23 -0.04 1.89 2.05 3hicA1 ILE 237 HG12 0.03 0.10 -0.14 -0.04 1.49 1.44 3hicA1 ILE 237 HG13 0.04 0.02 -0.18 -0.04 1.21 1.06 3hicA1 ILE 237 HG23 0.02 0.03 -0.03 -0.04 0.93 0.91 3hicA1 ILE 237 HD13 0.03 -0.04 -0.03 -0.04 0.88 0.80 3hicA1 PRO 238 HA 0.05 0.08 0.44 -0.51 4.44 4.50 3hicA1 PRO 238 HB2 0.04 0.14 0.02 -0.04 2.28 2.44 3hicA1 PRO 238 HB3 0.05 -0.07 0.03 -0.04 2.02 2.00 3hicA1 PRO 238 HG2 0.02 0.05 -0.05 -0.04 2.03 2.01 3hicA1 PRO 238 HG3 0.02 -0.01 -0.01 -0.04 2.03 1.98 3hicA1 PRO 238 HD2 0.02 0.12 0.01 -0.04 3.68 3.79 3hicA1 PRO 238 HD3 0.03 0.06 0.03 -0.04 3.65 3.73 3hicA1 PRO 239 HA 0.02 0.08 0.54 -0.51 4.44 4.57 3hicA1 PRO 239 HB2 0.02 0.03 -0.02 -0.04 2.28 2.27 3hicA1 PRO 239 HB3 0.03 0.12 -0.01 -0.04 2.02 2.12 3hicA1 PRO 239 HG2 0.03 -0.03 -0.13 -0.04 2.03 1.87 3hicA1 PRO 239 HG3 0.03 0.07 -0.01 -0.04 2.03 2.08 3hicA1 PRO 239 HD2 0.04 0.04 0.10 -0.04 3.68 3.82 3hicA1 PRO 239 HD3 0.04 0.17 -0.02 -0.04 3.65 3.80 3hicA1 LYS 240 H 0.02 0.08 0.13 -0.55 8.42 8.09 3hicA1 LYS 240 HA 0.02 0.11 0.57 -0.75 4.32 4.26 3hicA1 LYS 240 HB2 0.02 -0.03 0.15 -0.04 1.87 1.97 3hicA1 LYS 240 HB3 0.01 -0.02 -0.06 -0.04 1.79 1.68 3hicA1 LYS 240 HG2 0.01 -0.06 0.00 -0.04 1.46 1.37 3hicA1 LYS 240 HG3 0.01 0.02 0.03 -0.04 1.46 1.49 3hicA1 LYS 240 HD2 0.02 0.12 -0.13 -0.04 1.69 1.66 3hicA1 LYS 240 HD3 0.01 -0.01 -0.00 -0.04 1.68 1.64 3hicA1 LYS 240 HE2 0.01 -0.01 -0.02 -0.04 2.99 2.93 3hicA1 LYS 240 HE3 0.01 0.02 -0.03 -0.04 2.99 2.95 3hicA1 VAL 241 H 0.02 0.24 0.18 -0.55 8.24 8.12 3hicA1 VAL 241 HA 0.02 0.16 0.78 -0.75 4.13 4.34 3hicA1 VAL 241 HB 0.03 0.04 -0.04 -0.04 2.12 2.10 3hicA1 VAL 241 HG13 0.03 0.04 -0.36 -0.04 0.97 0.64 3hicA1 VAL 241 HG23 0.02 0.01 -0.25 -0.04 0.95 0.69 3hicA1 GLN 242 H 0.02 0.15 0.07 -0.55 8.47 8.16 3hicA1 GLN 242 HA 0.01 0.06 0.64 -0.75 4.36 4.32 3hicA1 GLN 242 HB2 0.01 -0.03 0.06 -0.04 2.15 2.16 3hicA1 GLN 242 HB3 0.02 0.03 0.02 -0.04 2.02 2.04 3hicA1 GLN 242 HG2 0.01 -0.02 -0.08 -0.04 2.40 2.27 3hicA1 GLN 242 HG3 0.01 0.09 -0.21 -0.04 2.39 2.24 3hicA1 GLN 242 HE21 0.01 -0.03 -0.03 -0.04 6.97 6.89 3hicA1 GLN 242 HE22 0.01 -0.01 -0.03 -0.04 7.69 7.62 3hicA1 GLU 243 H 0.01 0.11 0.11 -0.55 8.60 8.28 3hicA1 GLU 243 HA 0.02 0.11 0.50 -0.75 4.29 4.16 3hicA1 GLU 243 HB2 0.01 -0.05 0.16 -0.04 2.09 2.17 3hicA1 GLU 243 HB3 0.01 -0.01 -0.01 -0.04 1.99 1.95 3hicA1 GLU 243 HG2 0.01 0.01 -0.03 -0.04 2.34 2.29 3hicA1 GLU 243 HG3 0.02 0.10 -0.09 -0.04 2.34 2.32 3hicA1 ARG 244 H 0.02 0.38 -0.14 -0.55 8.46 8.17 3hicA1 ARG 244 HA 0.02 -0.03 0.58 -0.75 4.34 4.15 3hicA1 ARG 244 HB2 0.03 0.53 -0.04 -0.04 1.90 2.37 3hicA1 ARG 244 HB3 0.03 -0.15 -0.04 -0.04 1.80 1.61 3hicA1 ARG 244 HG2 0.02 -0.10 -0.17 -0.04 1.67 1.39 3hicA1 ARG 244 HG3 0.03 0.13 -0.16 -0.04 1.67 1.62 3hicA1 ARG 244 HD2 0.03 0.03 0.00 -0.04 3.22 3.24 3hicA1 ARG 244 HD3 0.03 -0.06 0.01 -0.04 3.22 3.15 3hicA1 ASN 245 H 0.02 0.94 0.29 -0.55 8.53 9.24 3hicA1 ASN 245 HA 0.01 0.16 0.51 -0.75 4.76 4.69 3hicA1 ASN 245 HB2 0.02 -0.07 -0.33 -0.04 2.88 2.46 3hicA1 ASN 245 HB3 0.02 0.44 0.17 -0.04 2.79 3.37 3hicA1 ASN 245 HD21 -0.02 -0.20 -0.30 -0.04 7.03 6.47 3hicA1 ASN 245 HD22 0.00 -0.06 -0.16 -0.04 7.74 7.49 3hicA1 ASP 246 H 0.01 0.18 0.01 -0.55 8.40 8.05 3hicA1 ASP 246 HA 0.01 0.13 0.65 -0.75 4.63 4.67 3hicA1 ASP 246 HB2 0.01 0.04 0.07 -0.04 2.71 2.78 3hicA1 ASP 246 HB3 0.00 -0.02 0.22 -0.04 2.70 2.86 3hicA1 THR 247 H 0.00 0.43 -0.21 -0.55 8.28 7.95 3hicA1 THR 247 HA -0.00 0.21 0.94 -0.75 4.39 4.78 3hicA1 THR 247 HB -0.01 0.05 0.10 -0.04 4.32 4.42 3hicA1 THR 247 HG23 -0.01 -0.01 -0.11 -0.04 1.22 1.05 3hicA1 GLY 248 H -0.03 0.31 0.06 -0.55 8.43 8.22 3hicA1 GLY 248 HA2 -0.03 0.01 0.36 -0.51 4.01 3.84 3hicA1 GLY 248 HA3 -0.10 0.12 0.34 -0.51 4.01 3.86 3hicA1 ALA 249 H -0.00 0.25 -0.91 -0.55 8.40 7.20 3hicA1 ALA 249 HA 0.01 0.15 0.36 -0.75 4.34 4.11 3hicA1 ALA 249 HB3 0.01 0.04 -0.04 -0.04 1.41 1.39 3hicA1 GLY 250 H 0.02 0.23 -0.14 -0.55 8.43 8.00 3hicA1 GLY 250 HA2 0.05 0.12 0.40 -0.51 4.01 4.07 3hicA1 GLY 250 HA3 0.03 0.05 0.26 -0.51 4.01 3.83 3hicA1 ASP 251 H 0.04 0.16 -0.29 -0.55 8.40 7.77 3hicA1 ASP 251 HA 0.12 0.06 0.45 -0.75 4.63 4.50 3hicA1 ASP 251 HB2 0.01 0.17 0.03 -0.04 2.71 2.87 3hicA1 ASP 251 HB3 0.16 0.02 -0.08 -0.04 2.70 2.75 3hicA1 VAL 252 H 0.02 0.35 -0.22 -0.55 8.24 7.84 3hicA1 VAL 252 HA -0.03 0.07 0.39 -0.75 4.13 3.82 3hicA1 VAL 252 HB -0.08 0.07 0.05 -0.04 2.12 2.12 3hicA1 VAL 252 HG13 -0.60 0.04 -0.27 -0.04 0.97 0.10 3hicA1 VAL 252 HG23 -0.01 0.05 -0.02 -0.04 0.95 0.93 3hicA1 PHE 253 H 0.16 0.37 -0.29 -0.55 8.34 8.02 3hicA1 PHE 253 HA -0.02 0.15 0.34 -0.75 4.62 4.34 3hicA1 PHE 253 HB2 -0.01 0.07 0.07 -0.04 3.15 3.24 3hicA1 PHE 253 HB3 0.02 0.06 0.09 -0.04 3.06 3.19 3hicA1 PHE 253 HD2 0.02 0.04 -0.30 -0.04 7.28 7.00 3hicA1 PHE 253 HE2 -0.08 0.03 -0.19 -0.04 7.38 7.10 3hicA1 PHE 253 HZ 0.08 0.01 -0.14 -0.04 7.32 7.23 3hicA1 VAL 254 H 0.24 0.39 -0.19 -0.55 8.24 8.13 3hicA1 VAL 254 HA 0.18 0.03 0.31 -0.75 4.13 3.90 3hicA1 VAL 254 HB 0.16 0.03 0.08 -0.04 2.12 2.35 3hicA1 VAL 254 HG13 0.16 -0.00 -0.24 -0.04 0.97 0.85 3hicA1 VAL 254 HG23 0.34 0.03 -0.01 -0.04 0.95 1.26 3hicA1 GLY 255 H 0.05 0.58 -0.20 -0.55 8.43 8.31 3hicA1 GLY 255 HA2 -0.01 0.00 0.34 -0.51 4.01 3.83 3hicA1 GLY 255 HA3 0.03 0.06 0.31 -0.51 4.01 3.89 3hicA1 ALA 256 H -0.14 0.62 -0.23 -0.55 8.40 8.11 3hicA1 ALA 256 HA -0.53 0.06 0.39 -0.75 4.34 3.50 3hicA1 ALA 256 HB3 -0.19 0.00 -0.01 -0.04 1.41 1.17 3hicA1 PHE 257 H -0.22 0.73 -0.07 -0.55 8.34 8.21 3hicA1 PHE 257 HA -0.40 0.02 0.38 -0.75 4.62 3.86 3hicA1 PHE 257 HB2 -0.57 0.03 0.02 -0.04 3.15 2.59 3hicA1 PHE 257 HB3 -0.35 0.04 0.07 -0.04 3.06 2.78 3hicA1 PHE 257 HD2 -0.48 0.01 -0.22 -0.04 7.28 6.55 3hicA1 PHE 257 HE2 -0.07 0.00 -0.15 -0.04 7.38 7.12 3hicA1 PHE 257 HZ 0.30 -0.00 -0.13 -0.04 7.32 7.44 3hicA1 ILE 258 H -0.16 0.67 -0.16 -0.55 8.25 8.05 3hicA1 ILE 258 HA -0.39 0.01 0.31 -0.75 4.18 3.35 3hicA1 ILE 258 HB -0.16 0.13 0.03 -0.04 1.89 1.85 3hicA1 ILE 258 HG12 -0.15 0.16 -0.01 -0.04 1.49 1.44 3hicA1 ILE 258 HG13 -0.07 -0.09 -0.13 -0.04 1.21 0.88 3hicA1 ILE 258 HG23 -0.19 -0.01 -0.21 -0.04 0.93 0.48 3hicA1 ILE 258 HD13 -0.23 -0.01 -0.14 -0.04 0.88 0.46 3hicA1 ALA 259 H -0.36 0.40 -0.33 -0.55 8.40 7.57 3hicA1 ALA 259 HA -0.32 0.00 0.33 -0.75 4.34 3.59 3hicA1 ALA 259 HB3 -0.81 0.04 0.07 -0.04 1.41 0.67 3hicA1 GLY 260 H -0.47 0.63 -0.18 -0.55 8.43 7.86 3hicA1 GLY 260 HA2 -0.29 -0.03 0.30 -0.51 4.01 3.48 3hicA1 GLY 260 HA3 -0.40 -0.06 0.30 -0.51 4.01 3.35 3hicA1 LEU 261 H -0.55 0.41 -0.20 -0.55 8.37 7.49 3hicA1 LEU 261 HA -0.37 -0.09 0.35 -0.75 4.35 3.48 3hicA1 LEU 261 HB2 -0.59 0.11 0.04 -0.04 1.64 1.16 3hicA1 LEU 261 HB3 -0.57 -0.03 -0.07 -0.04 1.64 0.93 3hicA1 LEU 261 HG -1.01 0.13 -0.03 -0.04 1.64 0.70 3hicA1 LEU 261 HD13 -0.97 -0.02 -0.10 -0.04 0.93 -0.20 3hicA1 LEU 261 HD23 -0.55 -0.04 -0.08 -0.04 0.89 0.18 3hicA1 ALA 262 H -0.34 0.52 -0.30 -0.55 8.40 7.73 3hicA1 ALA 262 HA -0.22 -0.03 0.17 -0.75 4.34 3.50 3hicA1 ALA 262 HB3 -0.20 0.01 0.08 -0.04 1.41 1.26 3hicA1 ASN 264 HA -0.12 0.04 0.11 -0.75 4.76 4.04 3hicA1 ASN 264 HB2 -0.06 -0.08 0.15 -0.04 2.88 2.85 3hicA1 ASN 264 HB3 -0.06 -0.12 0.10 -0.04 2.79 2.67 3hicA1 ASN 264 HD21 -0.07 0.00 0.02 -0.04 7.03 6.94 3hicA1 ASN 264 HD22 -0.06 -0.08 0.01 -0.04 7.74 7.56 3hicA1 PRO 266 HA -0.04 0.01 0.17 -0.51 4.44 4.08 3hicA1 PRO 266 HB2 -0.05 -0.25 0.02 -0.04 2.28 1.96 3hicA1 PRO 266 HB3 -0.02 -0.01 0.08 -0.04 2.02 2.03 3hicA1 PRO 266 HG2 -0.03 -0.02 0.08 -0.04 2.03 2.02 3hicA1 PRO 266 HG3 -0.02 0.07 0.18 -0.04 2.03 2.21 3hicA1 PRO 266 HD2 -0.06 -0.08 -0.00 -0.04 3.68 3.50 3hicA1 PRO 266 HD3 -0.05 0.19 -0.18 -0.04 3.65 3.58 3hicA1 ILE 267 H -0.04 0.18 0.07 -0.55 8.25 7.91 3hicA1 ILE 267 HA -0.16 0.15 0.31 -0.75 4.18 3.73 3hicA1 ILE 267 HB -0.14 0.08 0.07 -0.04 1.89 1.86 3hicA1 ILE 267 HG12 0.05 0.05 -0.12 -0.04 1.49 1.43 3hicA1 ILE 267 HG13 -0.16 -0.05 -0.29 -0.04 1.21 0.67 3hicA1 ILE 267 HG23 -0.07 0.01 -0.03 -0.04 0.93 0.80 3hicA1 ILE 267 HD13 0.09 0.01 -0.03 -0.04 0.88 0.91 3hicA1 THR 268 H -0.15 0.09 -0.18 -0.55 8.28 7.48 3hicA1 THR 268 HA -0.25 0.08 0.31 -0.75 4.39 3.78 3hicA1 THR 268 HB -0.08 0.06 -0.05 -0.04 4.32 4.20 3hicA1 THR 268 HG23 -0.25 0.00 -0.04 -0.04 1.22 0.89 3hicA1 GLU 269 H -0.08 0.11 -0.27 -0.55 8.60 7.81 3hicA1 GLU 269 HA -0.05 0.05 0.39 -0.75 4.29 3.93 3hicA1 GLU 269 HB2 -0.05 -0.06 0.05 -0.04 2.09 2.00 3hicA1 GLU 269 HB3 -0.08 0.19 0.08 -0.04 1.99 2.15 3hicA1 GLU 269 HG2 -0.08 0.06 -0.28 -0.04 2.34 2.00 3hicA1 GLU 269 HG3 -0.04 -0.06 0.00 -0.04 2.34 2.20 3hicA1 THR 270 H -0.15 0.58 -0.21 -0.55 8.28 7.96 3hicA1 THR 270 HA -0.22 0.05 0.38 -0.75 4.39 3.85 3hicA1 THR 270 HB -0.29 0.08 0.11 -0.04 4.32 4.18 3hicA1 THR 270 HG23 -0.79 -0.02 -0.07 -0.04 1.22 0.30 3hicA1 LEU 271 H -0.06 0.52 -0.21 -0.55 8.37 8.08 3hicA1 LEU 271 HA 0.16 -0.01 0.32 -0.75 4.35 4.07 3hicA1 LEU 271 HB2 -0.00 0.14 0.08 -0.04 1.64 1.82 3hicA1 LEU 271 HB3 0.13 -0.07 -0.10 -0.04 1.64 1.55 3hicA1 LEU 271 HG 0.12 0.16 -0.03 -0.04 1.64 1.85 3hicA1 LEU 271 HD13 -0.02 -0.03 -0.16 -0.04 0.93 0.68 3hicA1 LEU 271 HD23 0.39 -0.02 -0.12 -0.04 0.89 1.11 3hicA1 LYS 272 H -0.02 0.44 -0.27 -0.55 8.42 8.01 3hicA1 LYS 272 HA 0.04 0.01 0.39 -0.75 4.32 4.01 3hicA1 LYS 272 HB2 -0.01 0.08 0.12 -0.04 1.87 2.02 3hicA1 LYS 272 HB3 0.01 0.16 0.07 -0.04 1.79 2.00 3hicA1 LYS 272 HG2 0.02 -0.01 -0.06 -0.04 1.46 1.36 3hicA1 LYS 272 HG3 -0.01 0.23 0.06 -0.04 1.46 1.70 3hicA1 LYS 272 HD2 -0.01 -0.12 -0.16 -0.04 1.69 1.35 3hicA1 LYS 272 HD3 -0.01 -0.02 -0.03 -0.04 1.68 1.58 3hicA1 LYS 272 HE2 0.01 -0.08 -0.02 -0.04 2.99 2.86 3hicA1 LYS 272 HE3 0.02 0.21 0.05 -0.04 2.99 3.23 3hicA1 VAL 273 H -0.05 0.59 -0.12 -0.55 8.24 8.11 3hicA1 VAL 273 HA 0.02 0.01 0.40 -0.75 4.13 3.81 3hicA1 VAL 273 HB -0.13 0.12 0.13 -0.04 2.12 2.20 3hicA1 VAL 273 HG13 0.00 -0.02 -0.17 -0.04 0.97 0.74 3hicA1 VAL 273 HG23 -0.02 0.04 0.01 -0.04 0.95 0.94 3hicA1 ALA 274 H -0.16 0.68 -0.18 -0.55 8.40 8.20 3hicA1 ALA 274 HA -0.32 -0.01 0.31 -0.75 4.34 3.56 3hicA1 ALA 274 HB3 -0.93 0.01 0.00 -0.04 1.41 0.45 3hicA1 THR 275 H 0.05 0.66 -0.19 -0.55 8.28 8.25 3hicA1 THR 275 HA 0.33 -0.05 0.39 -0.75 4.39 4.31 3hicA1 THR 275 HB 0.11 0.13 0.04 -0.04 4.32 4.56 3hicA1 THR 275 HG23 0.11 -0.03 -0.12 -0.04 1.22 1.14 3hicA1 GLY 276 H 0.03 0.61 -0.30 -0.55 8.43 8.22 3hicA1 GLY 276 HA2 0.05 -0.02 0.24 -0.51 4.01 3.77 3hicA1 GLY 276 HA3 0.04 0.14 0.25 -0.51 4.01 3.94 3hicA1 CYS 277 H -0.02 0.63 -0.15 -0.55 8.50 8.42 3hicA1 CYS 277 HA -0.02 0.02 0.39 -0.75 4.58 4.22 3hicA1 CYS 277 HB2 -0.22 0.09 0.04 -0.04 2.97 2.83 3hicA1 CYS 277 HB3 -0.91 -0.05 -0.07 -0.04 2.97 1.90 3hicA1 SER 278 H -0.02 0.54 -0.24 -0.55 8.46 8.19 3hicA1 SER 278 HA -0.04 -0.04 0.35 -0.75 4.49 4.01 3hicA1 SER 278 HB2 0.22 0.02 0.07 -0.04 3.95 4.23 3hicA1 SER 278 HB3 0.17 0.12 0.12 -0.04 3.93 4.30 3hicA1 ALA 279 H 0.05 0.64 -0.22 -0.55 8.40 8.32 3hicA1 ALA 279 HA 0.04 -0.05 0.36 -0.75 4.34 3.93 3hicA1 ALA 279 HB3 0.04 0.03 0.03 -0.04 1.41 1.47 3hicA1 SER 280 H 0.05 0.48 -0.32 -0.55 8.46 8.12 3hicA1 SER 280 HA 0.07 -0.04 0.28 -0.75 4.49 4.05 3hicA1 SER 280 HB2 0.11 -0.06 -0.11 -0.04 3.95 3.85 3hicA1 SER 280 HB3 0.16 0.18 0.06 -0.04 3.93 4.29 3hicA1 LYS 281 H 0.04 0.34 -0.49 -0.55 8.42 7.75 3hicA1 LYS 281 HA 0.13 0.03 0.46 -0.75 4.32 4.18 3hicA1 LYS 281 HB2 0.02 0.00 0.02 -0.04 1.87 1.87 3hicA1 LYS 281 HB3 0.00 0.10 0.13 -0.04 1.79 1.98 3hicA1 LYS 281 HG2 0.01 -0.12 -0.27 -0.04 1.46 1.04 3hicA1 LYS 281 HG3 0.03 0.02 -0.36 -0.04 1.46 1.11 3hicA1 LYS 281 HD2 0.11 0.10 0.13 -0.04 1.69 1.98 3hicA1 LYS 281 HD3 0.14 0.01 0.06 -0.04 1.68 1.84 3hicA1 LYS 281 HE2 0.04 -0.01 0.07 -0.04 2.99 3.04 3hicA1 LYS 281 HE3 -0.01 -0.16 -0.05 -0.04 2.99 2.74 3hicA1 VAL 282 H 0.03 0.47 -0.09 -0.55 8.24 8.10 3hicA1 VAL 282 HA 0.02 -0.01 0.18 -0.75 4.13 3.58 3hicA1 VAL 282 HB 0.03 0.29 0.15 -0.04 2.12 2.54 3hicA1 VAL 282 HG13 0.02 -0.04 -0.04 -0.04 0.97 0.87 3hicA1 VAL 282 HG23 0.02 -0.02 -0.01 -0.04 0.95 0.90 3hicA1 GLN 284 HA 0.04 -0.20 0.35 -0.75 4.36 3.79 3hicA1 GLN 284 HB2 0.06 0.24 -0.36 -0.04 2.15 2.05 3hicA1 GLN 284 HB3 0.05 -0.16 -0.02 -0.04 2.02 1.86 3hicA1 GLN 284 HG2 0.05 -0.09 0.12 -0.04 2.40 2.44 3hicA1 GLN 284 HG3 0.08 0.37 0.15 -0.04 2.39 2.95 3hicA1 GLN 284 HE21 0.02 -0.08 0.08 -0.04 6.97 6.95 3hicA1 GLN 284 HE22 0.03 0.01 0.08 -0.04 7.69 7.77 3hicA1 GLN 285 H 0.05 0.04 0.03 -0.55 8.47 8.04 3hicA1 GLN 285 HA 0.04 0.15 0.05 -0.75 4.36 3.85 3hicA1 GLN 285 HB2 0.09 -0.03 0.08 -0.04 2.15 2.25 3hicA1 GLN 285 HB3 0.13 -0.05 -0.00 -0.04 2.02 2.05 3hicA1 GLN 285 HG2 0.08 -0.01 -0.04 -0.04 2.40 2.39 3hicA1 GLN 285 HG3 0.07 0.11 0.01 -0.04 2.39 2.54 3hicA1 GLN 285 HE21 0.15 -0.08 -0.04 -0.04 6.97 6.96 3hicA1 GLN 285 HE22 0.16 0.01 -0.01 -0.04 7.69 7.80 3hicA1 PHE 290 HA 0.01 0.10 0.05 -0.75 4.62 4.02 3hicA1 PHE 290 HB2 0.02 0.07 -0.24 -0.04 3.15 2.97 3hicA1 PHE 290 HB3 0.02 -0.04 -0.01 -0.04 3.06 2.99 3hicA1 PHE 290 HD2 0.01 0.00 -0.08 -0.04 7.28 7.17 3hicA1 PHE 290 HE2 -0.00 -0.00 -0.03 -0.04 7.38 7.31 3hicA1 PHE 290 HZ 0.02 0.09 -0.04 -0.04 7.32 7.34 3hicA1 ASP 291 H 0.00 0.13 0.07 -0.55 8.40 8.05 3hicA1 ASP 291 HA -0.14 -0.01 0.37 -0.75 4.63 4.10 3hicA1 ASP 291 HB2 -0.01 0.12 0.20 -0.04 2.71 2.98 3hicA1 ASP 291 HB3 0.01 -0.06 0.18 -0.04 2.70 2.79 3hicA1 LEU 292 H -0.24 0.16 0.18 -0.55 8.37 7.93 3hicA1 LEU 292 HA -0.05 0.17 0.48 -0.75 4.35 4.18 3hicA1 LEU 292 HB2 -0.35 0.08 0.15 -0.04 1.64 1.48 3hicA1 LEU 292 HB3 -0.18 -0.07 0.05 -0.04 1.64 1.41 3hicA1 LEU 292 HG -0.20 -0.05 -0.01 -0.04 1.64 1.33 3hicA1 LEU 292 HD13 -0.52 0.01 0.00 -0.04 0.93 0.38 3hicA1 LEU 292 HD23 -0.27 0.02 0.01 -0.04 0.89 0.61 3hicA1 GLU 293 H -0.06 0.02 -0.21 -0.55 8.60 7.80 3hicA1 GLU 293 HA -0.03 0.16 0.52 -0.75 4.29 4.19 3hicA1 GLU 293 HB2 -0.04 0.05 0.06 -0.04 2.09 2.12 3hicA1 GLU 293 HB3 -0.03 -0.06 0.08 -0.04 1.99 1.94 3hicA1 GLU 293 HG2 -0.01 0.01 -0.31 -0.04 2.34 1.99 3hicA1 GLU 293 HG3 -0.01 0.03 -0.00 -0.04 2.34 2.31 3hicA1 ALA 294 H 0.00 0.05 -0.18 -0.55 8.40 7.72 3hicA1 ALA 294 HA 0.02 0.04 0.41 -0.75 4.34 4.06 3hicA1 ALA 294 HB3 0.04 0.05 0.06 -0.04 1.41 1.52 3hicA1 ALA 295 H 0.08 0.62 -0.21 -0.55 8.40 8.34 3hicA1 ALA 295 HA 0.09 0.13 0.26 -0.75 4.34 4.07 3hicA1 ALA 295 HB3 0.21 0.04 -0.08 -0.04 1.41 1.54 3hicA1 GLY 296 H 0.04 0.33 -0.42 -0.55 8.43 7.84 3hicA1 GLY 296 HA2 0.04 0.04 0.37 -0.51 4.01 3.95 3hicA1 GLY 296 HA3 0.02 0.07 0.29 -0.51 4.01 3.88 3hicA1 LYS 297 H 0.03 0.32 -0.36 -0.55 8.42 7.85 3hicA1 LYS 297 HA 0.02 0.05 0.47 -0.75 4.32 4.10 3hicA1 LYS 297 HB2 0.02 0.08 0.15 -0.04 1.87 2.07 3hicA1 LYS 297 HB3 0.02 -0.02 -0.08 -0.04 1.79 1.67 3hicA1 LYS 297 HG2 0.01 -0.04 -0.01 -0.04 1.46 1.38 3hicA1 LYS 297 HG3 0.01 -0.01 -0.01 -0.04 1.46 1.41 3hicA1 LYS 297 HD2 0.01 0.21 -0.00 -0.04 1.69 1.86 3hicA1 LYS 297 HD3 0.01 -0.06 -0.05 -0.04 1.68 1.54 3hicA1 LYS 297 HE2 -0.00 -0.05 -0.04 -0.04 2.99 2.86 3hicA1 LYS 297 HE3 0.00 -0.03 -0.03 -0.04 2.99 2.89 3hicA1 LEU 298 H 0.04 0.57 -0.07 -0.55 8.37 8.36 3hicA1 LEU 298 HA 0.03 0.01 0.38 -0.75 4.35 4.02 3hicA1 LEU 298 HB2 0.05 0.11 0.15 -0.04 1.64 1.90 3hicA1 LEU 298 HB3 0.04 -0.04 0.02 -0.04 1.64 1.62 3hicA1 LEU 298 HG 0.04 0.19 0.05 -0.04 1.64 1.88 3hicA1 LEU 298 HD13 0.05 -0.03 -0.19 -0.04 0.93 0.72 3hicA1 LEU 298 HD23 0.03 -0.02 -0.10 -0.04 0.89 0.76 3hicA1 LYS 299 H 0.04 0.57 -0.31 -0.55 8.42 8.17 3hicA1 LYS 299 HA 0.03 0.09 0.37 -0.75 4.32 4.07 3hicA1 LYS 299 HB2 0.04 -0.01 0.02 -0.04 1.87 1.88 3hicA1 LYS 299 HB3 0.03 0.21 0.10 -0.04 1.79 2.09 3hicA1 LYS 299 HG2 0.02 0.00 -0.50 -0.04 1.46 0.93 3hicA1 LYS 299 HG3 0.01 -0.14 -0.37 -0.04 1.46 0.92 3hicA1 LYS 299 HD2 0.03 -0.02 -0.06 -0.04 1.69 1.59 3hicA1 LYS 299 HD3 0.02 0.07 -0.02 -0.04 1.68 1.71 3hicA1 LYS 299 HE2 0.00 -0.02 -0.09 -0.04 2.99 2.84 3hicA1 LYS 299 HE3 -0.01 -0.01 -0.05 -0.04 2.99 2.88 3hicA1 ASN 300 H 0.02 0.33 -0.38 -0.55 8.53 7.96 3hicA1 ASN 300 HA 0.02 0.08 0.53 -0.75 4.76 4.63 3hicA1 ASN 300 HB2 0.02 0.10 0.11 -0.04 2.88 3.07 3hicA1 ASN 300 HB3 0.01 -0.08 0.18 -0.04 2.79 2.87 3hicA1 ASN 300 HD21 0.01 -0.03 -0.02 -0.04 7.03 6.94 3hicA1 ASN 300 HD22 0.01 -0.01 0.02 -0.04 7.74 7.72 3hicA1 GLN 301 H 0.03 0.43 -0.76 -0.55 8.47 7.61 3hicA1 GLN 301 HA 0.02 0.08 0.80 -0.75 4.36 4.51 3hicA1 GLN 301 HB2 0.03 0.15 0.08 -0.04 2.15 2.37 3hicA1 GLN 301 HB3 0.02 -0.14 0.12 -0.04 2.02 1.98 3hicA1 GLN 301 HG2 0.02 -0.01 -0.14 -0.04 2.40 2.23 3hicA1 GLN 301 HG3 0.02 0.35 -0.09 -0.04 2.39 2.63 3hicA1 GLN 301 HE21 0.02 -0.07 -0.05 -0.04 6.97 6.82 3hicA1 GLN 301 HE22 0.02 0.01 -0.07 -0.04 7.69 7.60 3hicA1 VAL 302 H 0.03 0.30 -0.01 -0.55 8.24 8.00 3hicA1 VAL 302 HA 0.04 0.16 0.61 -0.75 4.13 4.18 3hicA1 VAL 302 HB 0.04 0.12 0.19 -0.04 2.12 2.42 3hicA1 VAL 302 HG13 0.06 -0.03 -0.33 -0.04 0.97 0.63 3hicA1 VAL 302 HG23 0.05 0.02 -0.02 -0.04 0.95 0.96 3hicA1 SER 303 H 0.04 0.53 0.30 -0.55 8.46 8.78 3hicA1 SER 303 HA 0.03 0.16 0.95 -0.75 4.49 4.88 3hicA1 SER 303 HB2 0.03 -0.05 0.02 -0.04 3.95 3.91 3hicA1 SER 303 HB3 0.03 0.06 -0.02 -0.04 3.93 3.96 3hicA1 ILE 304 H 0.05 0.20 0.15 -0.55 8.25 8.09 3hicA1 ILE 304 HA 0.08 0.39 1.13 -0.75 4.18 5.03 3hicA1 ILE 304 HB 0.05 -0.03 0.07 -0.04 1.89 1.94 3hicA1 ILE 304 HG12 0.07 0.04 -0.17 -0.04 1.49 1.39 3hicA1 ILE 304 HG13 0.04 0.02 -0.43 -0.04 1.21 0.80 3hicA1 ILE 304 HG23 0.13 -0.03 -0.26 -0.04 0.93 0.73 3hicA1 ILE 304 HD13 -0.02 -0.03 -0.10 -0.04 0.88 0.69 3hicA1 ILE 305 H 0.10 0.62 0.34 -0.55 8.25 8.77 3hicA1 ILE 305 HA 0.07 0.08 0.90 -0.75 4.18 4.47 3hicA1 ILE 305 HB 0.05 -0.04 0.16 -0.04 1.89 2.01 3hicA1 ILE 305 HG12 0.04 0.01 -0.05 -0.04 1.49 1.45 3hicA1 ILE 305 HG13 0.05 -0.02 -0.27 -0.04 1.21 0.92 3hicA1 ILE 305 HG23 0.03 0.15 0.07 -0.04 0.93 1.14 3hicA1 ILE 305 HD13 0.03 -0.01 -0.02 -0.04 0.88 0.83 3hicA1 GLN 306 H 0.06 0.07 0.22 -0.55 8.47 8.28 3hicA1 GLN 306 HA -0.10 0.27 0.63 -0.75 4.36 4.42 3hicA1 GLN 306 HB2 0.09 -0.01 0.06 -0.04 2.15 2.25 3hicA1 GLN 306 HB3 -0.00 -0.05 0.06 -0.04 2.02 1.99 3hicA1 GLN 306 HG2 -0.18 0.02 0.15 -0.04 2.40 2.34 3hicA1 GLN 306 HG3 -0.45 0.04 0.03 -0.04 2.39 1.97 3hicA1 GLN 306 HE21 0.08 -0.00 -0.00 -0.04 6.97 7.00 3hicA1 GLN 306 HE22 0.17 -0.00 -0.02 -0.04 7.69 7.80 3hicA1 LEU 307 H -0.10 0.49 0.33 -0.55 8.37 8.55 3hicA1 LEU 307 HA -0.01 0.04 0.60 -0.75 4.35 4.23 3hicA1 LEU 307 HB2 -0.05 0.04 0.08 -0.04 1.64 1.67 3hicA1 LEU 307 HB3 -0.02 -0.01 -0.06 -0.04 1.64 1.50 3hicA1 LEU 307 HG 0.01 0.08 -0.43 -0.04 1.64 1.25 3hicA1 LEU 307 HD13 -0.00 -0.02 -0.19 -0.04 0.93 0.67 3hicA1 LEU 307 HD23 0.01 0.03 -0.06 -0.04 0.89 0.82 3hicA1 GLU 308 H -0.02 0.12 0.10 -0.55 8.60 8.26 3hicA1 GLU 308 HA -0.03 0.14 0.68 -0.75 4.29 4.32 3hicA1 GLU 308 HB2 -0.01 0.04 -0.06 -0.04 2.09 2.01 3hicA1 GLU 308 HB3 -0.01 0.03 0.05 -0.04 1.99 2.01 3hicA1 GLU 308 HG2 -0.01 0.02 0.06 -0.04 2.34 2.37 3hicA1 GLU 308 HG3 -0.01 -0.04 0.15 -0.04 2.34 2.39 3hicA1 GLU 309 H -0.03 0.16 0.11 -0.55 8.60 8.30 3hicA1 GLU 309 HA -0.02 0.07 0.22 -0.75 4.29 3.81 3hicA1 GLU 309 HB2 -0.02 0.27 0.18 -0.04 2.09 2.48 3hicA1 GLU 309 HB3 -0.02 -0.01 0.06 -0.04 1.99 1.99 3hicA1 GLU 309 HG2 -0.01 0.02 -0.05 -0.04 2.34 2.25 3hicA1 GLU 309 HG3 -0.01 -0.10 -0.25 -0.04 2.34 1.94