============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. PHE 2 1.000 -20.580 -0.392 29.154 -99.200 -91.000 TYR 7 0.840 -31.392 -6.583 24.096 -99.200 -91.000 PHE 12 1.000 -40.562 -8.592 27.416 -99.200 -91.000 TYR 22 0.840 -44.717 -4.599 27.886 -99.200 -91.000 TYR 36 0.840 -44.287 0.518 45.425 -99.200 -91.000 PHE 40 1.000 -34.957 -8.565 43.448 -99.200 -91.000 TYR 42 0.840 -38.496 -13.678 41.687 -99.200 -91.000 HIS 51 0.900 -36.220 -7.307 24.838 -99.200 -91.000 TYR 65 0.840 -37.703 11.369 32.547 -99.200 -91.000 TYR 69 0.840 -27.656 -3.260 31.685 -99.200 -91.000 PHE 75 1.000 -22.027 -0.370 41.845 -99.200 -91.000 HIS 82 0.900 -14.538 5.177 39.295 -99.200 -91.000 PHE 91 1.000 -18.726 3.477 41.584 -99.200 -91.000 TYR 95 0.840 -23.135 3.707 39.388 -99.200 -91.000 PHE 108 1.000 -23.548 -12.403 38.377 -99.200 -91.000 PHE 119 1.000 -27.582 -1.182 44.808 -99.200 -91.000 PHE 120 1.000 -27.608 0.705 53.401 -99.200 -91.000 HIS 121 0.900 -23.708 3.956 52.289 -99.200 -91.000 PHE 123 1.000 -32.482 0.549 47.261 -99.200 -91.000 TYR 127 0.840 -37.334 4.125 48.720 -99.200 -91.000 HIS 140 0.900 -38.583 -13.824 46.841 -99.200 -91.000 PHE 155 1.000 -31.913 -5.872 46.830 -99.200 -91.000 PHE 171 1.000 -49.454 -21.452 20.615 -99.200 -91.000 PHE 181 1.000 -35.264 -14.980 11.659 -99.200 -91.000 TYR 192 0.840 -37.392 -29.435 17.617 -99.200 -91.000 PHE 215 1.000 -39.067 -28.798 12.020 -99.200 -91.000 PHE 235 1.000 -33.195 -54.370 28.747 -99.200 -91.000 TYR 239 0.840 -34.534 -56.380 35.321 -99.200 -91.000 TYR 240 0.840 -37.720 -54.191 39.314 -99.200 -91.000 TYR 264 0.840 -24.425 -45.857 37.170 -99.200 -91.000 PHE 281 1.000 -36.967 -34.338 36.914 -99.200 -91.000 HIS 284 0.900 -27.532 -27.384 34.384 -99.200 -91.000 HIS 289 0.900 -24.943 -34.743 45.173 -99.200 -91.000 PHE 302 1.000 -29.861 -50.992 43.632 -99.200 -91.000 HIS 304 0.900 -22.114 -59.636 40.365 -99.200 -91.000 PHE 308 1.000 -28.336 -59.576 31.930 -99.200 -91.000 PHE 314 1.000 -18.964 -51.819 25.269 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2hcbB1 ASP 77 HA -0.00 0.07 0.26 -0.75 4.63 4.21 2hcbB1 ASP 77 HB2 -0.08 -0.14 0.16 -0.04 2.71 2.61 2hcbB1 ASP 77 HB3 -0.01 -0.02 0.07 -0.04 2.70 2.70 2hcbB1 PHE 78 H -0.17 0.15 0.07 -0.55 8.34 7.84 2hcbB1 PHE 78 HA 0.03 -0.04 0.27 -0.75 4.62 4.12 2hcbB1 PHE 78 HB2 0.14 0.33 0.20 -0.04 3.15 3.78 2hcbB1 PHE 78 HB3 0.15 -0.13 0.21 -0.04 3.06 3.26 2hcbB1 PHE 78 HD2 0.09 0.05 0.01 -0.04 7.28 7.38 2hcbB1 PHE 78 HE2 0.08 -0.01 -0.01 -0.04 7.38 7.40 2hcbB1 PHE 78 HZ 0.07 -0.02 -0.01 -0.04 7.32 7.32 2hcbB1 LEU 79 H 0.07 0.11 -0.54 -0.55 8.37 7.46 2hcbB1 LEU 79 HA -0.06 0.08 0.78 -0.75 4.35 4.40 2hcbB1 LEU 79 HB2 0.03 -0.00 0.00 -0.04 1.64 1.63 2hcbB1 LEU 79 HB3 0.02 0.08 -0.19 -0.04 1.64 1.51 2hcbB1 LEU 79 HG 0.10 0.03 -0.25 -0.04 1.64 1.48 2hcbB1 LEU 79 HD13 0.06 0.01 -0.21 -0.04 0.93 0.75 2hcbB1 LEU 79 HD23 0.02 0.02 -0.12 -0.04 0.89 0.76 2hcbB1 ASN 80 H 0.01 0.13 0.02 -0.55 8.53 8.14 2hcbB1 ASN 80 HA -0.01 0.20 0.73 -0.75 4.76 4.92 2hcbB1 ASN 80 HB2 0.04 0.02 0.05 -0.04 2.88 2.94 2hcbB1 ASN 80 HB3 -0.01 -0.07 0.09 -0.04 2.79 2.75 2hcbB1 ASN 80 HD21 -0.05 0.03 -0.01 -0.04 7.03 6.95 2hcbB1 ASN 80 HD22 0.00 -0.01 -0.02 -0.04 7.74 7.68 2hcbB1 PRO 81 HA -0.01 0.14 0.26 -0.51 4.44 4.32 2hcbB1 PRO 81 HB2 -0.04 -0.02 -0.05 -0.04 2.28 2.12 2hcbB1 PRO 81 HB3 -0.02 0.06 0.03 -0.04 2.02 2.05 2hcbB1 PRO 81 HG2 -0.02 0.01 0.06 -0.04 2.03 2.04 2hcbB1 PRO 81 HG3 -0.01 0.10 0.06 -0.04 2.03 2.14 2hcbB1 PRO 81 HD2 -0.04 0.00 0.21 -0.04 3.68 3.81 2hcbB1 PRO 81 HD3 -0.01 0.40 0.32 -0.04 3.65 4.32 2hcbB1 LYS 82 H -0.17 -0.03 -0.48 -0.55 8.42 7.19 2hcbB1 LYS 82 HA -0.16 0.03 0.22 -0.75 4.32 3.65 2hcbB1 LYS 82 HB2 -0.69 -0.08 0.00 -0.04 1.87 1.06 2hcbB1 LYS 82 HB3 -0.61 0.00 -0.10 -0.04 1.79 1.04 2hcbB1 LYS 82 HG2 -0.18 -0.02 -0.01 -0.04 1.46 1.22 2hcbB1 LYS 82 HG3 -0.25 -0.02 -0.02 -0.04 1.46 1.12 2hcbB1 LYS 82 HD2 -0.16 -0.01 -0.03 -0.04 1.69 1.45 2hcbB1 LYS 82 HD3 -0.14 0.04 -0.01 -0.04 1.68 1.53 2hcbB1 LYS 82 HE2 -0.07 0.01 -0.03 -0.04 2.99 2.86 2hcbB1 LYS 82 HE3 -0.08 -0.02 -0.02 -0.04 2.99 2.83 2hcbB1 TYR 83 H -0.68 0.07 -0.16 -0.55 8.29 6.96 2hcbB1 TYR 83 HA -0.25 0.00 0.38 -0.75 4.56 3.94 2hcbB1 TYR 83 HB2 -0.18 0.06 -0.06 -0.04 3.06 2.85 2hcbB1 TYR 83 HB3 -0.75 -0.05 -0.04 -0.04 2.98 2.09 2hcbB1 TYR 83 HD2 -0.55 0.10 -0.02 -0.04 7.15 6.64 2hcbB1 TYR 83 HE2 -0.09 -0.01 -0.04 -0.04 6.85 6.66 2hcbB1 THR 84 H 0.37 0.18 0.14 -0.55 8.28 8.41 2hcbB1 THR 84 HA 0.15 0.20 0.54 -0.75 4.39 4.53 2hcbB1 THR 84 HB 0.07 0.31 -0.28 -0.04 4.32 4.38 2hcbB1 THR 84 HG23 0.11 -0.03 -0.14 -0.04 1.22 1.11 2hcbB1 LEU 85 H 0.10 0.25 0.06 -0.55 8.37 8.24 2hcbB1 LEU 85 HA 0.19 0.05 0.29 -0.75 4.35 4.14 2hcbB1 LEU 85 HB2 0.04 0.04 0.12 -0.04 1.64 1.81 2hcbB1 LEU 85 HB3 0.10 0.03 -0.01 -0.04 1.64 1.72 2hcbB1 LEU 85 HG -0.16 -0.03 -0.06 -0.04 1.64 1.35 2hcbB1 LEU 85 HD13 -0.06 0.00 -0.20 -0.04 0.93 0.63 2hcbB1 LEU 85 HD23 -0.32 0.02 -0.08 -0.04 0.89 0.47 2hcbB1 GLU 86 H 0.13 0.11 -0.03 -0.55 8.60 8.26 2hcbB1 GLU 86 HA 0.14 0.07 0.40 -0.75 4.29 4.15 2hcbB1 GLU 86 HB2 0.08 -0.03 0.10 -0.04 2.09 2.19 2hcbB1 GLU 86 HB3 0.07 0.05 -0.06 -0.04 1.99 2.01 2hcbB1 GLU 86 HG2 0.08 -0.02 0.04 -0.04 2.34 2.40 2hcbB1 GLU 86 HG3 0.05 0.02 0.01 -0.04 2.34 2.39 2hcbB1 ASN 87 H 0.14 0.01 -0.33 -0.55 8.53 7.80 2hcbB1 ASN 87 HA 0.09 0.01 0.17 -0.75 4.76 4.27 2hcbB1 ASN 87 HB2 0.12 -0.01 0.08 -0.04 2.88 3.03 2hcbB1 ASN 87 HB3 0.29 -0.15 0.09 -0.04 2.79 2.98 2hcbB1 ASN 87 HD21 0.00 -0.01 0.00 -0.04 7.03 6.98 2hcbB1 ASN 87 HD22 0.04 -0.03 -0.00 -0.04 7.74 7.70 2hcbB1 PHE 88 H 0.24 0.65 -0.88 -0.55 8.34 7.79 2hcbB1 PHE 88 HA -0.28 -0.03 0.86 -0.75 4.62 4.42 2hcbB1 PHE 88 HB2 -0.67 -0.10 -0.10 -0.04 3.15 2.24 2hcbB1 PHE 88 HB3 0.03 0.18 0.10 -0.04 3.06 3.32 2hcbB1 PHE 88 HD2 -0.42 -0.03 -0.25 -0.04 7.28 6.53 2hcbB1 PHE 88 HE2 -0.06 -0.10 -0.06 -0.04 7.38 7.12 2hcbB1 PHE 88 HZ -0.01 -0.10 -0.03 -0.04 7.32 7.14 2hcbB1 ILE 89 H -0.59 0.04 0.11 -0.55 8.25 7.26 2hcbB1 ILE 89 HA -0.17 0.20 0.53 -0.75 4.18 3.99 2hcbB1 ILE 89 HB -0.28 -0.07 0.02 -0.04 1.89 1.52 2hcbB1 ILE 89 HG12 -0.14 0.03 -0.10 -0.04 1.49 1.24 2hcbB1 ILE 89 HG13 -0.10 -0.02 -0.11 -0.04 1.21 0.94 2hcbB1 ILE 89 HG23 -0.12 -0.01 -0.24 -0.04 0.93 0.52 2hcbB1 ILE 89 HD13 -0.07 0.05 -0.18 -0.04 0.88 0.64 2hcbB1 VAL 90 H -0.16 0.22 0.14 -0.55 8.24 7.89 2hcbB1 VAL 90 HA -0.11 0.09 0.83 -0.75 4.13 4.19 2hcbB1 VAL 90 HB -0.15 0.02 0.09 -0.04 2.12 2.03 2hcbB1 VAL 90 HG13 -0.09 -0.01 -0.08 -0.04 0.97 0.74 2hcbB1 VAL 90 HG23 -0.59 0.05 -0.10 -0.04 0.95 0.27 2hcbB1 GLY 91 H -0.04 0.11 0.22 -0.55 8.43 8.18 2hcbB1 GLY 91 HA2 -0.03 0.24 0.59 -0.51 4.01 4.30 2hcbB1 GLY 91 HA3 -0.03 0.12 0.35 -0.51 4.01 3.95 2hcbB1 GLU 92 H -0.01 0.29 0.09 -0.55 8.60 8.42 2hcbB1 GLU 92 HA 0.01 0.02 0.48 -0.75 4.29 4.04 2hcbB1 GLU 92 HB2 -0.00 0.06 0.15 -0.04 2.09 2.25 2hcbB1 GLU 92 HB3 -0.01 0.01 0.23 -0.04 1.99 2.18 2hcbB1 GLU 92 HG2 0.00 0.00 0.05 -0.04 2.34 2.35 2hcbB1 GLU 92 HG3 0.01 0.01 0.04 -0.04 2.34 2.35 2hcbB1 GLY 93 H 0.01 0.23 0.39 -0.55 8.43 8.51 2hcbB1 GLY 93 HA2 0.00 0.17 0.68 -0.51 4.01 4.36 2hcbB1 GLY 93 HA3 0.00 0.06 0.26 -0.51 4.01 3.82 2hcbB1 ASN 94 H 0.03 0.18 0.32 -0.55 8.53 8.51 2hcbB1 ASN 94 HA 0.07 0.17 0.54 -0.75 4.76 4.79 2hcbB1 ASN 94 HB2 0.25 0.01 0.16 -0.04 2.88 3.26 2hcbB1 ASN 94 HB3 0.09 0.07 0.00 -0.04 2.79 2.92 2hcbB1 ASN 94 HD21 -0.36 0.29 0.05 -0.04 7.03 6.97 2hcbB1 ASN 94 HD22 0.03 0.01 0.01 -0.04 7.74 7.76 2hcbB1 ARG 95 H 0.04 0.11 0.36 -0.55 8.46 8.42 2hcbB1 ARG 95 HA 0.08 0.12 0.43 -0.75 4.34 4.22 2hcbB1 ARG 95 HB2 0.04 0.09 0.01 -0.04 1.90 1.99 2hcbB1 ARG 95 HB3 0.02 0.08 -0.04 -0.04 1.80 1.82 2hcbB1 ARG 95 HG2 0.03 -0.14 0.05 -0.04 1.67 1.58 2hcbB1 ARG 95 HG3 0.04 0.09 -0.29 -0.04 1.67 1.47 2hcbB1 ARG 95 HD2 0.02 0.06 -0.08 -0.04 3.22 3.18 2hcbB1 ARG 95 HD3 0.01 -0.07 -0.05 -0.04 3.22 3.07 2hcbB1 LEU 96 H 0.05 0.04 -0.26 -0.55 8.37 7.66 2hcbB1 LEU 96 HA 0.05 0.13 0.32 -0.75 4.35 4.10 2hcbB1 LEU 96 HB2 0.03 -0.05 0.07 -0.04 1.64 1.65 2hcbB1 LEU 96 HB3 0.04 0.03 0.06 -0.04 1.64 1.72 2hcbB1 LEU 96 HG 0.03 0.02 0.00 -0.04 1.64 1.64 2hcbB1 LEU 96 HD13 0.03 0.01 0.02 -0.04 0.93 0.95 2hcbB1 LEU 96 HD23 0.02 0.01 -0.10 -0.04 0.89 0.79 2hcbB1 ALA 97 H 0.06 0.11 -0.14 -0.55 8.40 7.88 2hcbB1 ALA 97 HA 0.02 0.07 0.27 -0.75 4.34 3.94 2hcbB1 ALA 97 HB3 0.03 0.03 -0.00 -0.04 1.41 1.42 2hcbB1 TYR 98 H 0.17 0.22 -0.69 -0.55 8.29 7.44 2hcbB1 TYR 98 HA -0.13 0.08 0.57 -0.75 4.56 4.33 2hcbB1 TYR 98 HB2 0.05 0.05 0.05 -0.04 3.06 3.18 2hcbB1 TYR 98 HB3 0.03 0.09 0.16 -0.04 2.98 3.22 2hcbB1 TYR 98 HD2 -0.18 -0.03 -0.10 -0.04 7.15 6.80 2hcbB1 TYR 98 HE2 0.01 0.05 -0.06 -0.04 6.85 6.81 2hcbB1 GLU 99 H 0.15 0.59 0.11 -0.55 8.60 8.91 2hcbB1 GLU 99 HA -0.02 0.02 0.35 -0.75 4.29 3.89 2hcbB1 GLU 99 HB2 0.07 0.08 0.13 -0.04 2.09 2.33 2hcbB1 GLU 99 HB3 0.04 -0.00 0.12 -0.04 1.99 2.11 2hcbB1 GLU 99 HG2 0.15 -0.01 -0.01 -0.04 2.34 2.43 2hcbB1 GLU 99 HG3 0.18 0.01 0.05 -0.04 2.34 2.53 2hcbB1 VAL 100 H 0.00 0.30 -0.53 -0.55 8.24 7.47 2hcbB1 VAL 100 HA -0.01 0.12 0.70 -0.75 4.13 4.19 2hcbB1 VAL 100 HB -0.00 -0.02 0.02 -0.04 2.12 2.08 2hcbB1 VAL 100 HG13 0.01 0.01 -0.19 -0.04 0.97 0.76 2hcbB1 VAL 100 HG23 0.01 0.04 -0.12 -0.04 0.95 0.84 2hcbB1 VAL 101 H -0.08 0.39 -0.11 -0.55 8.24 7.89 2hcbB1 VAL 101 HA -0.07 0.06 0.27 -0.75 4.13 3.64 2hcbB1 VAL 101 HB -0.19 0.10 0.18 -0.04 2.12 2.17 2hcbB1 VAL 101 HG13 -0.13 -0.01 -0.09 -0.04 0.97 0.70 2hcbB1 VAL 101 HG23 -0.07 -0.01 0.03 -0.04 0.95 0.87 2hcbB1 LYS 102 H -0.18 0.43 -0.26 -0.55 8.42 7.85 2hcbB1 LYS 102 HA -0.19 0.09 0.42 -0.75 4.32 3.89 2hcbB1 LYS 102 HB2 -0.41 0.12 -0.01 -0.04 1.87 1.53 2hcbB1 LYS 102 HB3 -0.12 -0.06 0.04 -0.04 1.79 1.61 2hcbB1 LYS 102 HG2 -0.21 -0.00 -0.04 -0.04 1.46 1.17 2hcbB1 LYS 102 HG3 -0.13 -0.03 -0.08 -0.04 1.46 1.18 2hcbB1 LYS 102 HD2 -0.04 -0.01 -0.20 -0.04 1.69 1.40 2hcbB1 LYS 102 HD3 -0.07 0.02 -0.37 -0.04 1.68 1.22 2hcbB1 LYS 102 HE2 -0.01 0.02 -0.09 -0.04 2.99 2.87 2hcbB1 LYS 102 HE3 -0.03 0.00 -0.06 -0.04 2.99 2.86 2hcbB1 GLU 103 H -0.06 0.28 -0.13 -0.55 8.60 8.15 2hcbB1 GLU 103 HA -0.03 0.05 0.41 -0.75 4.29 3.96 2hcbB1 GLU 103 HB2 -0.02 0.18 0.16 -0.04 2.09 2.37 2hcbB1 GLU 103 HB3 -0.01 -0.03 0.01 -0.04 1.99 1.93 2hcbB1 GLU 103 HG2 -0.01 -0.03 0.06 -0.04 2.34 2.32 2hcbB1 GLU 103 HG3 -0.01 -0.06 0.07 -0.04 2.34 2.30 2hcbB1 ALA 104 H -0.05 0.39 -0.47 -0.55 8.40 7.73 2hcbB1 ALA 104 HA -0.03 -0.02 0.33 -0.75 4.34 3.87 2hcbB1 ALA 104 HB3 -0.02 0.01 0.06 -0.04 1.41 1.42 2hcbB1 LEU 105 H -0.07 0.37 -0.66 -0.55 8.37 7.47 2hcbB1 LEU 105 HA -0.11 0.06 0.52 -0.75 4.35 4.07 2hcbB1 LEU 105 HB2 -0.09 0.33 0.16 -0.04 1.64 2.00 2hcbB1 LEU 105 HB3 -0.07 0.01 0.04 -0.04 1.64 1.58 2hcbB1 LEU 105 HG -0.08 0.00 0.05 -0.04 1.64 1.57 2hcbB1 LEU 105 HD13 -0.08 -0.01 -0.08 -0.04 0.93 0.72 2hcbB1 LEU 105 HD23 -0.05 0.02 0.04 -0.04 0.89 0.85 2hcbB1 GLU 106 H -0.05 0.25 -0.57 -0.55 8.60 7.68 2hcbB1 GLU 106 HA -0.02 0.17 0.83 -0.75 4.29 4.52 2hcbB1 GLU 106 HB2 -0.02 0.20 0.18 -0.04 2.09 2.41 2hcbB1 GLU 106 HB3 -0.01 -0.04 -0.00 -0.04 1.99 1.89 2hcbB1 GLU 106 HG2 -0.00 -0.02 0.01 -0.04 2.34 2.29 2hcbB1 GLU 106 HG3 -0.02 0.04 -0.14 -0.04 2.34 2.18 2hcbB1 ASN 107 H -0.03 0.19 0.03 -0.55 8.53 8.17 2hcbB1 ASN 107 HA -0.04 0.23 0.84 -0.75 4.76 5.04 2hcbB1 ASN 107 HB2 -0.02 -0.01 0.10 -0.04 2.88 2.91 2hcbB1 ASN 107 HB3 -0.03 -0.14 0.19 -0.04 2.79 2.76 2hcbB1 ASN 107 HD21 -0.01 0.04 -0.01 -0.04 7.03 7.00 2hcbB1 ASN 107 HD22 -0.01 -0.04 -0.02 -0.04 7.74 7.63 2hcbB1 LEU 108 H -0.16 0.25 -0.22 -0.55 8.37 7.70 2hcbB1 LEU 108 HA -0.13 0.28 0.44 -0.75 4.35 4.19 2hcbB1 LEU 108 HB2 -0.28 0.01 0.15 -0.04 1.64 1.49 2hcbB1 LEU 108 HB3 -0.21 0.01 0.08 -0.04 1.64 1.47 2hcbB1 LEU 108 HG -0.27 0.00 -0.02 -0.04 1.64 1.31 2hcbB1 LEU 108 HD13 -0.45 -0.02 -0.21 -0.04 0.93 0.21 2hcbB1 LEU 108 HD23 -0.72 -0.01 -0.06 -0.04 0.89 0.06 2hcbB1 GLY 109 H -0.10 0.16 0.16 -0.55 8.43 8.11 2hcbB1 GLY 109 HA2 -0.16 -0.13 0.11 -0.51 4.01 3.32 2hcbB1 GLY 109 HA3 -0.15 0.26 -0.09 -0.51 4.01 3.52 2hcbB1 SER 110 H -0.09 0.22 -0.77 -0.55 8.46 7.27 2hcbB1 SER 110 HA -0.11 0.21 0.77 -0.75 4.49 4.61 2hcbB1 SER 110 HB2 -0.05 -0.08 -0.05 -0.04 3.95 3.73 2hcbB1 SER 110 HB3 -0.05 -0.06 0.00 -0.04 3.93 3.79 2hcbB1 LEU 111 H -0.04 0.32 0.08 -0.55 8.37 8.18 2hcbB1 LEU 111 HA 0.01 0.07 0.53 -0.75 4.35 4.21 2hcbB1 LEU 111 HB2 -0.01 0.05 0.17 -0.04 1.64 1.81 2hcbB1 LEU 111 HB3 0.02 -0.12 0.12 -0.04 1.64 1.62 2hcbB1 LEU 111 HG 0.01 -0.02 0.02 -0.04 1.64 1.61 2hcbB1 LEU 111 HD13 0.01 0.01 -0.13 -0.04 0.93 0.79 2hcbB1 LEU 111 HD23 0.05 0.00 -0.07 -0.04 0.89 0.83 2hcbB1 TYR 112 H 0.05 0.17 -0.00 -0.55 8.29 7.96 2hcbB1 TYR 112 HA -0.05 0.16 0.08 -0.75 4.56 4.00 2hcbB1 TYR 112 HB2 -0.01 0.02 -0.20 -0.04 3.06 2.83 2hcbB1 TYR 112 HB3 -0.01 -0.07 -0.09 -0.04 2.98 2.78 2hcbB1 TYR 112 HD2 0.01 0.02 -0.20 -0.04 7.15 6.93 2hcbB1 TYR 112 HE2 0.04 -0.12 -0.04 -0.04 6.85 6.69 2hcbB1 ASN 113 H -0.41 0.20 -0.03 -0.55 8.53 7.75 2hcbB1 ASN 113 HA -0.08 0.02 0.34 -0.75 4.76 4.28 2hcbB1 ASN 113 HB2 -0.32 0.19 0.02 -0.04 2.88 2.73 2hcbB1 ASN 113 HB3 -0.44 0.06 0.20 -0.04 2.79 2.57 2hcbB1 ASN 113 HD21 -0.27 0.31 0.04 -0.04 7.03 7.07 2hcbB1 ASN 113 HD22 -0.57 -0.06 0.04 -0.04 7.74 7.11 2hcbB1 PRO 114 HA 0.17 0.21 0.34 -0.51 4.44 4.66 2hcbB1 PRO 114 HB2 0.38 0.01 0.23 -0.04 2.28 2.86 2hcbB1 PRO 114 HB3 0.39 0.04 0.10 -0.04 2.02 2.51 2hcbB1 PRO 114 HG2 0.27 -0.12 0.17 -0.04 2.03 2.31 2hcbB1 PRO 114 HG3 0.37 0.12 0.07 -0.04 2.03 2.55 2hcbB1 PRO 114 HD2 -0.26 -0.07 0.14 -0.04 3.68 3.46 2hcbB1 PRO 114 HD3 -0.36 0.20 0.20 -0.04 3.65 3.65 2hcbB1 ILE 115 H 0.12 0.89 0.79 -0.55 8.25 9.51 2hcbB1 ILE 115 HA 0.18 -0.02 0.67 -0.75 4.18 4.25 2hcbB1 ILE 115 HB 0.06 -0.05 0.25 -0.04 1.89 2.11 2hcbB1 ILE 115 HG12 0.10 -0.11 -0.10 -0.04 1.49 1.34 2hcbB1 ILE 115 HG13 0.10 0.40 0.04 -0.04 1.21 1.72 2hcbB1 ILE 115 HG23 0.06 -0.05 -0.12 -0.04 0.93 0.78 2hcbB1 ILE 115 HD13 0.02 -0.02 -0.03 -0.04 0.88 0.81 2hcbB1 PHE 116 H 0.24 0.70 0.42 -0.55 8.34 9.14 2hcbB1 PHE 116 HA 0.00 0.01 0.95 -0.75 4.62 4.83 2hcbB1 PHE 116 HB2 0.07 0.12 -0.03 -0.04 3.15 3.27 2hcbB1 PHE 116 HB3 0.01 0.04 0.22 -0.04 3.06 3.29 2hcbB1 PHE 116 HD2 -0.22 0.00 -0.18 -0.04 7.28 6.85 2hcbB1 PHE 116 HE2 -0.76 0.01 -0.09 -0.04 7.38 6.50 2hcbB1 PHE 116 HZ -0.34 -0.03 -0.13 -0.04 7.32 6.77 2hcbB1 ILE 117 H -0.31 0.55 0.12 -0.55 8.25 8.06 2hcbB1 ILE 117 HA 0.10 0.28 0.98 -0.75 4.18 4.78 2hcbB1 ILE 117 HB -0.12 -0.15 0.16 -0.04 1.89 1.74 2hcbB1 ILE 117 HG12 -0.01 -0.01 -0.13 -0.04 1.49 1.30 2hcbB1 ILE 117 HG13 -0.08 0.36 0.13 -0.04 1.21 1.58 2hcbB1 ILE 117 HG23 -0.02 -0.02 -0.04 -0.04 0.93 0.81 2hcbB1 ILE 117 HD13 -0.05 -0.02 -0.03 -0.04 0.88 0.74 2hcbB1 TYR 118 H 0.11 0.60 0.35 -0.55 8.29 8.80 2hcbB1 TYR 118 HA -0.11 0.22 0.66 -0.75 4.56 4.57 2hcbB1 TYR 118 HB2 0.04 -0.03 -0.39 -0.04 3.06 2.65 2hcbB1 TYR 118 HB3 0.09 0.08 -0.25 -0.04 2.98 2.85 2hcbB1 TYR 118 HD2 0.15 0.07 -0.24 -0.04 7.15 7.09 2hcbB1 TYR 118 HE2 0.15 -0.01 -0.27 -0.04 6.85 6.68 2hcbB1 GLY 119 H 0.02 0.38 0.27 -0.55 8.43 8.55 2hcbB1 GLY 119 HA2 -0.16 0.10 0.69 -0.51 4.01 4.14 2hcbB1 GLY 119 HA3 -0.06 -0.05 0.46 -0.51 4.01 3.85 2hcbB1 SER 120 H -0.01 0.15 0.20 -0.55 8.46 8.25 2hcbB1 SER 120 HA 0.03 0.23 0.85 -0.75 4.49 4.85 2hcbB1 SER 120 HB2 0.02 0.10 0.19 -0.04 3.95 4.22 2hcbB1 SER 120 HB3 0.04 -0.06 0.28 -0.04 3.93 4.15 2hcbB1 VAL 121 H 0.04 0.16 0.18 -0.55 8.24 8.06 2hcbB1 VAL 121 HA 0.03 0.04 0.60 -0.75 4.13 4.04 2hcbB1 VAL 121 HB 0.05 0.03 0.11 -0.04 2.12 2.27 2hcbB1 VAL 121 HG13 0.05 -0.00 0.02 -0.04 0.97 0.99 2hcbB1 VAL 121 HG23 0.06 0.03 0.11 -0.04 0.95 1.10 2hcbB1 GLY 122 H 0.03 0.15 0.18 -0.55 8.43 8.25 2hcbB1 GLY 122 HA2 0.03 -0.02 0.41 -0.51 4.01 3.92 2hcbB1 GLY 122 HA3 0.03 -0.03 0.37 -0.51 4.01 3.88 2hcbB1 THR 123 H 0.02 0.01 -0.08 -0.55 8.28 7.68 2hcbB1 THR 123 HA 0.02 0.24 0.91 -0.75 4.39 4.80 2hcbB1 THR 123 HB 0.01 -0.11 0.04 -0.04 4.32 4.21 2hcbB1 THR 123 HG23 0.01 0.03 0.07 -0.04 1.22 1.29 2hcbB1 GLY 124 H 0.05 -0.12 0.08 -0.55 8.43 7.90 2hcbB1 GLY 124 HA2 0.16 0.02 0.24 -0.51 4.01 3.91 2hcbB1 GLY 124 HA3 0.23 0.38 0.83 -0.51 4.01 4.94 2hcbB1 LYS 125 H 0.04 -0.01 0.02 -0.55 8.42 7.92 2hcbB1 LYS 125 HA 0.01 0.19 0.43 -0.75 4.32 4.20 2hcbB1 LYS 125 HB2 -0.05 0.02 -0.04 -0.04 1.87 1.76 2hcbB1 LYS 125 HB3 -0.05 0.13 0.01 -0.04 1.79 1.84 2hcbB1 LYS 125 HG2 -0.00 0.01 0.03 -0.04 1.46 1.45 2hcbB1 LYS 125 HG3 -0.01 -0.20 0.12 -0.04 1.46 1.33 2hcbB1 LYS 125 HD2 -0.06 0.13 -0.02 -0.04 1.69 1.70 2hcbB1 LYS 125 HD3 -0.02 0.13 0.00 -0.04 1.68 1.75 2hcbB1 LYS 125 HE2 -0.08 -0.07 -0.10 -0.04 2.99 2.70 2hcbB1 LYS 125 HE3 -0.08 0.03 -0.33 -0.04 2.99 2.56 2hcbB1 THR 126 H -0.00 -0.00 -0.10 -0.55 8.28 7.62 2hcbB1 THR 126 HA 0.03 0.12 0.31 -0.75 4.39 4.09 2hcbB1 THR 126 HB -0.14 0.02 -0.05 -0.04 4.32 4.11 2hcbB1 THR 126 HG23 -0.04 0.04 -0.03 -0.04 1.22 1.14 2hcbB1 HIS 127 H 0.03 -0.07 -0.42 -0.55 8.41 7.41 2hcbB1 HIS 127 HA -0.42 0.09 0.37 -0.75 4.63 3.92 2hcbB1 HIS 127 HB2 0.07 -0.15 0.05 -0.04 3.26 3.19 2hcbB1 HIS 127 HB3 0.28 0.14 0.08 -0.04 3.20 3.65 2hcbB1 HIS 127 HD2 0.23 -0.08 -0.03 -0.04 6.97 7.04 2hcbB1 HIS 127 HE1 0.27 0.02 -0.19 -0.04 7.75 7.81 2hcbB1 LEU 128 H 0.08 0.49 -0.13 -0.55 8.37 8.27 2hcbB1 LEU 128 HA -0.15 0.05 0.16 -0.75 4.35 3.65 2hcbB1 LEU 128 HB2 -0.16 0.06 0.09 -0.04 1.64 1.59 2hcbB1 LEU 128 HB3 -0.07 0.00 0.12 -0.04 1.64 1.65 2hcbB1 LEU 128 HG -0.14 0.03 -0.14 -0.04 1.64 1.35 2hcbB1 LEU 128 HD13 -0.48 0.00 -0.07 -0.04 0.93 0.35 2hcbB1 LEU 128 HD23 -0.11 0.03 -0.13 -0.04 0.89 0.63 2hcbB1 LEU 129 H -0.01 0.51 -0.06 -0.55 8.37 8.27 2hcbB1 LEU 129 HA 0.02 0.05 0.34 -0.75 4.35 4.00 2hcbB1 LEU 129 HB2 0.07 0.02 0.05 -0.04 1.64 1.73 2hcbB1 LEU 129 HB3 0.23 0.03 -0.13 -0.04 1.64 1.73 2hcbB1 LEU 129 HG 0.02 0.05 -0.07 -0.04 1.64 1.60 2hcbB1 LEU 129 HD13 -0.04 0.02 -0.15 -0.04 0.93 0.72 2hcbB1 LEU 129 HD23 -0.06 -0.01 -0.35 -0.04 0.89 0.42 2hcbB1 GLN 130 H -0.02 0.46 -0.36 -0.55 8.47 8.01 2hcbB1 GLN 130 HA -0.02 -0.03 0.27 -0.75 4.36 3.83 2hcbB1 GLN 130 HB2 -0.19 0.15 0.21 -0.04 2.15 2.28 2hcbB1 GLN 130 HB3 0.08 0.06 -0.01 -0.04 2.02 2.10 2hcbB1 GLN 130 HG2 -0.40 -0.09 0.03 -0.04 2.40 1.89 2hcbB1 GLN 130 HG3 -0.36 -0.11 0.01 -0.04 2.39 1.89 2hcbB1 GLN 130 HE21 -0.33 0.24 0.35 -0.04 6.97 7.20 2hcbB1 GLN 130 HE22 -1.37 -0.07 0.04 -0.04 7.69 6.24 2hcbB1 ALA 131 H 0.06 0.57 -0.28 -0.55 8.40 8.20 2hcbB1 ALA 131 HA 0.10 0.23 0.14 -0.75 4.34 4.06 2hcbB1 ALA 131 HB3 0.14 -0.05 -0.26 -0.04 1.41 1.21 2hcbB1 ALA 132 H 0.00 0.59 -0.15 -0.55 8.40 8.30 2hcbB1 ALA 132 HA -0.03 0.03 0.40 -0.75 4.34 3.99 2hcbB1 ALA 132 HB3 -0.04 0.02 0.06 -0.04 1.41 1.41 2hcbB1 GLY 133 H 0.04 0.47 -0.04 -0.55 8.43 8.35 2hcbB1 GLY 133 HA2 0.03 0.01 0.29 -0.51 4.01 3.83 2hcbB1 GLY 133 HA3 0.06 0.06 0.20 -0.51 4.01 3.83 2hcbB1 ASN 134 H 0.04 0.28 -0.78 -0.55 8.53 7.52 2hcbB1 ASN 134 HA 0.03 0.06 0.69 -0.75 4.76 4.79 2hcbB1 ASN 134 HB2 0.05 0.20 0.12 -0.04 2.88 3.20 2hcbB1 ASN 134 HB3 0.03 -0.05 -0.07 -0.04 2.79 2.67 2hcbB1 ASN 134 HD21 0.03 -0.06 -0.62 -0.04 7.03 6.34 2hcbB1 ASN 134 HD22 0.06 0.17 -0.17 -0.04 7.74 7.76 2hcbB1 GLU 135 H 0.02 0.47 0.06 -0.55 8.60 8.61 2hcbB1 GLU 135 HA 0.03 0.02 0.56 -0.75 4.29 4.15 2hcbB1 GLU 135 HB2 0.01 -0.10 0.18 -0.04 2.09 2.14 2hcbB1 GLU 135 HB3 -0.00 0.17 0.23 -0.04 1.99 2.34 2hcbB1 GLU 135 HG2 -0.01 0.02 -0.01 -0.04 2.34 2.30 2hcbB1 GLU 135 HG3 0.03 0.03 -0.05 -0.04 2.34 2.31 2hcbB1 ALA 136 H 0.03 0.36 -0.23 -0.55 8.40 8.01 2hcbB1 ALA 136 HA 0.10 0.09 0.32 -0.75 4.34 4.10 2hcbB1 ALA 136 HB3 0.03 0.02 -0.03 -0.04 1.41 1.39 2hcbB1 LYS 137 H 0.06 0.46 -0.05 -0.55 8.42 8.34 2hcbB1 LYS 137 HA 0.06 0.20 0.34 -0.75 4.32 4.17 2hcbB1 LYS 137 HB2 0.02 -0.04 0.13 -0.04 1.87 1.95 2hcbB1 LYS 137 HB3 0.04 0.02 0.16 -0.04 1.79 1.98 2hcbB1 LYS 137 HG2 0.04 0.25 0.19 -0.04 1.46 1.89 2hcbB1 LYS 137 HG3 0.03 0.04 -0.11 -0.04 1.46 1.37 2hcbB1 LYS 137 HD2 0.02 -0.03 0.03 -0.04 1.69 1.66 2hcbB1 LYS 137 HD3 0.03 -0.01 0.04 -0.04 1.68 1.70 2hcbB1 LYS 137 HE2 0.02 -0.00 -0.02 -0.04 2.99 2.94 2hcbB1 LYS 137 HE3 0.01 0.00 -0.03 -0.04 2.99 2.94 2hcbB1 LYS 138 H 0.05 0.15 -1.09 -0.55 8.42 6.97 2hcbB1 LYS 138 HA 0.02 0.01 0.49 -0.75 4.32 4.08 2hcbB1 LYS 138 HB2 0.03 0.45 0.20 -0.04 1.87 2.51 2hcbB1 LYS 138 HB3 0.04 0.15 0.06 -0.04 1.79 1.99 2hcbB1 LYS 138 HG2 0.02 -0.06 0.10 -0.04 1.46 1.49 2hcbB1 LYS 138 HG3 0.02 -0.05 0.09 -0.04 1.46 1.48 2hcbB1 LYS 138 HD2 0.02 -0.02 -0.00 -0.04 1.69 1.65 2hcbB1 LYS 138 HD3 0.03 0.02 0.00 -0.04 1.68 1.69 2hcbB1 LYS 138 HE2 0.02 -0.00 0.03 -0.04 2.99 3.00 2hcbB1 LYS 138 HE3 0.02 -0.03 0.02 -0.04 2.99 2.95 2hcbB1 ARG 139 H 0.08 0.65 -0.31 -0.55 8.46 8.33 2hcbB1 ARG 139 HA 0.01 0.12 0.90 -0.75 4.34 4.61 2hcbB1 ARG 139 HB2 0.28 0.11 0.19 -0.04 1.90 2.44 2hcbB1 ARG 139 HB3 0.11 -0.10 0.18 -0.04 1.80 1.95 2hcbB1 ARG 139 HG2 0.07 -0.08 0.06 -0.04 1.67 1.68 2hcbB1 ARG 139 HG3 0.07 0.11 -0.18 -0.04 1.67 1.63 2hcbB1 ARG 139 HD2 0.14 0.02 -0.01 -0.04 3.22 3.33 2hcbB1 ARG 139 HD3 0.18 -0.04 0.06 -0.04 3.22 3.39 2hcbB1 GLY 140 H 0.01 0.20 -0.17 -0.55 8.43 7.93 2hcbB1 GLY 140 HA2 -0.05 0.02 0.35 -0.51 4.01 3.82 2hcbB1 GLY 140 HA3 -0.16 0.14 0.84 -0.51 4.01 4.32 2hcbB1 TYR 141 H -0.14 0.15 -0.24 -0.55 8.29 7.51 2hcbB1 TYR 141 HA -0.01 0.00 0.27 -0.75 4.56 4.07 2hcbB1 TYR 141 HB2 -0.01 -0.05 -0.15 -0.04 3.06 2.81 2hcbB1 TYR 141 HB3 -0.01 -0.02 -0.03 -0.04 2.98 2.88 2hcbB1 TYR 141 HD2 -0.01 0.02 0.03 -0.04 7.15 7.15 2hcbB1 TYR 141 HE2 -0.02 0.02 0.04 -0.04 6.85 6.86 2hcbB1 ARG 142 H 0.12 0.07 0.19 -0.55 8.46 8.29 2hcbB1 ARG 142 HA 0.04 0.17 0.72 -0.75 4.34 4.51 2hcbB1 ARG 142 HB2 0.04 -0.15 0.24 -0.04 1.90 1.99 2hcbB1 ARG 142 HB3 0.01 0.13 0.13 -0.04 1.80 2.04 2hcbB1 ARG 142 HG2 0.01 0.04 0.08 -0.04 1.67 1.76 2hcbB1 ARG 142 HG3 0.01 -0.04 0.07 -0.04 1.67 1.67 2hcbB1 ARG 142 HD2 0.00 0.41 0.15 -0.04 3.22 3.75 2hcbB1 ARG 142 HD3 -0.00 -0.04 0.08 -0.04 3.22 3.22 2hcbB1 VAL 143 H 0.03 0.26 0.26 -0.55 8.24 8.25 2hcbB1 VAL 143 HA 0.03 0.24 1.08 -0.75 4.13 4.73 2hcbB1 VAL 143 HB 0.05 0.03 0.09 -0.04 2.12 2.25 2hcbB1 VAL 143 HG13 0.06 -0.03 -0.11 -0.04 0.97 0.85 2hcbB1 VAL 143 HG23 0.06 0.05 -0.34 -0.04 0.95 0.67 2hcbB1 ILE 144 H 0.03 0.44 0.30 -0.55 8.25 8.47 2hcbB1 ILE 144 HA 0.07 0.21 0.88 -0.75 4.18 4.59 2hcbB1 ILE 144 HB -0.07 0.03 0.10 -0.04 1.89 1.91 2hcbB1 ILE 144 HG12 -0.07 0.01 0.06 -0.04 1.49 1.45 2hcbB1 ILE 144 HG13 -0.06 0.08 -0.20 -0.04 1.21 0.99 2hcbB1 ILE 144 HG23 -0.07 -0.02 -0.26 -0.04 0.93 0.54 2hcbB1 ILE 144 HD13 -0.41 0.00 -0.13 -0.04 0.88 0.30 2hcbB1 TYR 145 H 0.24 0.34 0.16 -0.55 8.29 8.48 2hcbB1 TYR 145 HA 0.06 0.24 0.97 -0.75 4.56 5.09 2hcbB1 TYR 145 HB2 0.06 0.00 -0.04 -0.04 3.06 3.04 2hcbB1 TYR 145 HB3 0.12 0.09 0.00 -0.04 2.98 3.15 2hcbB1 TYR 145 HD2 0.03 0.03 -0.22 -0.04 7.15 6.95 2hcbB1 TYR 145 HE2 -0.03 -0.10 -0.10 -0.04 6.85 6.58 2hcbB1 SER 146 H -0.45 0.67 0.33 -0.55 8.46 8.46 2hcbB1 SER 146 HA -0.06 0.02 0.37 -0.75 4.49 4.07 2hcbB1 SER 146 HB2 0.19 0.00 -0.08 -0.04 3.95 4.03 2hcbB1 SER 146 HB3 0.16 0.11 0.03 -0.04 3.93 4.18 2hcbB1 SER 147 H -0.07 0.12 0.13 -0.55 8.46 8.09 2hcbB1 SER 147 HA -0.14 0.18 0.68 -0.75 4.49 4.45 2hcbB1 SER 147 HB2 0.11 -0.00 0.14 -0.04 3.95 4.16 2hcbB1 SER 147 HB3 0.05 0.08 0.12 -0.04 3.93 4.14 2hcbB1 ALA 148 H -0.03 0.41 0.17 -0.55 8.40 8.40 2hcbB1 ALA 148 HA -0.08 0.14 0.51 -0.75 4.34 4.16 2hcbB1 ALA 148 HB3 -0.07 0.02 0.07 -0.04 1.41 1.39 2hcbB1 ASP 149 H 0.23 0.05 -0.07 -0.55 8.40 8.06 2hcbB1 ASP 149 HA 0.10 0.20 0.47 -0.75 4.63 4.64 2hcbB1 ASP 149 HB2 0.04 -0.01 0.13 -0.04 2.71 2.83 2hcbB1 ASP 149 HB3 -0.02 0.01 -0.01 -0.04 2.70 2.64 2hcbB1 ASP 150 H 0.09 0.04 -0.21 -0.55 8.40 7.77 2hcbB1 ASP 150 HA 0.04 0.12 0.62 -0.75 4.63 4.65 2hcbB1 ASP 150 HB2 0.04 -0.01 0.10 -0.04 2.71 2.81 2hcbB1 ASP 150 HB3 0.02 0.11 0.02 -0.04 2.70 2.81 2hcbB1 PHE 151 H 0.25 0.31 -0.33 -0.55 8.34 8.01 2hcbB1 PHE 151 HA 0.22 0.07 0.38 -0.75 4.62 4.53 2hcbB1 PHE 151 HB2 0.07 0.10 0.07 -0.04 3.15 3.36 2hcbB1 PHE 151 HB3 0.03 0.23 0.11 -0.04 3.06 3.39 2hcbB1 PHE 151 HD2 0.05 0.04 -0.14 -0.04 7.28 7.19 2hcbB1 PHE 151 HE2 -0.74 0.06 -0.05 -0.04 7.38 6.61 2hcbB1 PHE 151 HZ -0.04 -0.00 -0.15 -0.04 7.32 7.09 2hcbB1 ALA 152 H 0.23 0.36 -0.24 -0.55 8.40 8.20 2hcbB1 ALA 152 HA 0.09 0.02 0.47 -0.75 4.34 4.16 2hcbB1 ALA 152 HB3 0.07 0.08 0.15 -0.04 1.41 1.67 2hcbB1 GLN 153 H 0.03 0.46 -0.14 -0.55 8.47 8.27 2hcbB1 GLN 153 HA -0.03 -0.04 0.15 -0.75 4.36 3.69 2hcbB1 GLN 153 HB2 0.01 0.07 0.15 -0.04 2.15 2.34 2hcbB1 GLN 153 HB3 -0.01 -0.03 0.13 -0.04 2.02 2.08 2hcbB1 GLN 153 HG2 -0.01 -0.08 0.07 -0.04 2.40 2.34 2hcbB1 GLN 153 HG3 0.01 0.58 0.32 -0.04 2.39 3.26 2hcbB1 GLN 153 HE21 -0.02 -0.02 -0.00 -0.04 6.97 6.89 2hcbB1 GLN 153 HE22 -0.02 -0.01 0.02 -0.04 7.69 7.63 2hcbB1 ALA 154 H -0.03 0.34 -0.65 -0.55 8.40 7.51 2hcbB1 ALA 154 HA 0.03 0.02 0.37 -0.75 4.34 4.01 2hcbB1 ALA 154 HB3 0.16 0.03 0.06 -0.04 1.41 1.62 2hcbB1 MET 155 H -0.43 0.67 0.10 -0.55 8.47 8.26 2hcbB1 MET 155 HA -1.33 -0.00 0.49 -0.75 4.52 2.92 2hcbB1 MET 155 HB2 -0.67 0.05 0.14 -0.04 2.15 1.63 2hcbB1 MET 155 HB3 -0.27 0.14 0.25 -0.04 2.03 2.11 2hcbB1 MET 155 HG2 -0.21 -0.08 -0.23 -0.04 2.63 2.08 2hcbB1 MET 155 HG3 -0.20 -0.01 0.01 -0.04 2.56 2.31 2hcbB1 MET 155 HE3 -0.03 -0.03 -0.17 -0.04 2.10 1.84 2hcbB1 VAL 156 H -0.16 0.58 -0.11 -0.55 8.24 8.00 2hcbB1 VAL 156 HA -0.09 0.01 0.24 -0.75 4.13 3.54 2hcbB1 VAL 156 HB -0.05 0.07 -0.04 -0.04 2.12 2.05 2hcbB1 VAL 156 HG13 -0.03 -0.01 0.02 -0.04 0.97 0.90 2hcbB1 VAL 156 HG23 -0.05 0.08 -0.02 -0.04 0.95 0.92 2hcbB1 GLU 157 H -0.10 0.38 -0.26 -0.55 8.60 8.07 2hcbB1 GLU 157 HA -0.07 0.08 0.77 -0.75 4.29 4.32 2hcbB1 GLU 157 HB2 -0.08 0.26 0.21 -0.04 2.09 2.43 2hcbB1 GLU 157 HB3 -0.14 -0.00 -0.04 -0.04 1.99 1.76 2hcbB1 GLU 157 HG2 -0.05 -0.04 0.04 -0.04 2.34 2.24 2hcbB1 GLU 157 HG3 -0.04 0.04 0.04 -0.04 2.34 2.34 2hcbB1 HIS 158 H -0.09 0.60 -0.04 -0.55 8.41 8.34 2hcbB1 HIS 158 HA -0.05 0.04 0.36 -0.75 4.63 4.22 2hcbB1 HIS 158 HB2 -0.40 0.20 0.18 -0.04 3.26 3.20 2hcbB1 HIS 158 HB3 -0.10 -0.19 -0.27 -0.04 3.20 2.60 2hcbB1 HIS 158 HD2 -0.22 0.41 0.05 -0.04 6.97 7.17 2hcbB1 HIS 158 HE1 0.14 0.02 -0.09 -0.04 7.75 7.78 2hcbB1 LEU 159 H -0.07 0.65 -0.20 -0.55 8.37 8.21 2hcbB1 LEU 159 HA -0.00 -0.07 0.42 -0.75 4.35 3.94 2hcbB1 LEU 159 HB2 -0.06 0.05 0.14 -0.04 1.64 1.73 2hcbB1 LEU 159 HB3 -0.03 0.03 -0.03 -0.04 1.64 1.57 2hcbB1 LEU 159 HG -0.05 0.01 0.02 -0.04 1.64 1.58 2hcbB1 LEU 159 HD13 -0.03 -0.02 -0.09 -0.04 0.93 0.75 2hcbB1 LEU 159 HD23 0.00 -0.01 0.02 -0.04 0.89 0.85 2hcbB1 LYS 160 H -0.04 0.43 -0.13 -0.55 8.42 8.13 2hcbB1 LYS 160 HA -0.02 0.01 0.46 -0.75 4.32 4.01 2hcbB1 LYS 160 HB2 -0.04 0.07 0.24 -0.04 1.87 2.10 2hcbB1 LYS 160 HB3 -0.02 -0.03 0.04 -0.04 1.79 1.74 2hcbB1 LYS 160 HG2 -0.02 -0.05 0.09 -0.04 1.46 1.44 2hcbB1 LYS 160 HG3 -0.03 0.13 0.16 -0.04 1.46 1.68 2hcbB1 LYS 160 HD2 -0.03 -0.00 0.05 -0.04 1.69 1.66 2hcbB1 LYS 160 HD3 -0.02 -0.01 0.03 -0.04 1.68 1.64 2hcbB1 LYS 160 HE2 -0.02 -0.02 0.02 -0.04 2.99 2.93 2hcbB1 LYS 160 HE3 -0.02 -0.01 0.01 -0.04 2.99 2.93 2hcbB1 LYS 161 H -0.04 0.70 -0.22 -0.55 8.42 8.30 2hcbB1 LYS 161 HA -0.02 0.08 0.56 -0.75 4.32 4.18 2hcbB1 LYS 161 HB2 -0.07 -0.02 0.05 -0.04 1.87 1.78 2hcbB1 LYS 161 HB3 -0.03 -0.05 0.11 -0.04 1.79 1.78 2hcbB1 LYS 161 HG2 -0.04 -0.02 -0.02 -0.04 1.46 1.34 2hcbB1 LYS 161 HG3 -0.07 0.09 -0.02 -0.04 1.46 1.42 2hcbB1 LYS 161 HD2 -0.14 -0.04 -0.10 -0.04 1.69 1.37 2hcbB1 LYS 161 HD3 -0.07 -0.01 -0.02 -0.04 1.68 1.54 2hcbB1 LYS 161 HE2 -0.04 -0.01 -0.02 -0.04 2.99 2.87 2hcbB1 LYS 161 HE3 -0.04 0.01 -0.02 -0.04 2.99 2.89 2hcbB1 GLY 162 H 0.00 0.40 -0.66 -0.55 8.43 7.63 2hcbB1 GLY 162 HA2 0.02 -0.03 0.39 -0.51 4.01 3.88 2hcbB1 GLY 162 HA3 0.02 0.00 0.35 -0.51 4.01 3.87 2hcbB1 THR 163 H 0.08 0.64 -0.13 -0.55 8.28 8.32 2hcbB1 THR 163 HA 0.09 0.21 0.90 -0.75 4.39 4.84 2hcbB1 THR 163 HB 0.19 -0.12 0.19 -0.04 4.32 4.54 2hcbB1 THR 163 HG23 0.06 0.11 -0.11 -0.04 1.22 1.24 2hcbB1 ILE 164 H 0.07 0.25 -0.19 -0.55 8.25 7.84 2hcbB1 ILE 164 HA 0.06 0.05 0.15 -0.75 4.18 3.68 2hcbB1 ILE 164 HB 0.02 0.03 -0.03 -0.04 1.89 1.88 2hcbB1 ILE 164 HG12 0.06 0.03 -0.01 -0.04 1.49 1.53 2hcbB1 ILE 164 HG13 0.13 -0.02 0.04 -0.04 1.21 1.31 2hcbB1 ILE 164 HG23 0.05 0.02 -0.09 -0.04 0.93 0.88 2hcbB1 ILE 164 HD13 -0.06 0.01 0.05 -0.04 0.88 0.84 2hcbB1 ASN 165 H 0.09 0.09 -0.67 -0.55 8.53 7.49 2hcbB1 ASN 165 HA 0.09 0.13 0.66 -0.75 4.76 4.88 2hcbB1 ASN 165 HB2 0.06 0.03 0.03 -0.04 2.88 2.96 2hcbB1 ASN 165 HB3 0.05 0.05 -0.03 -0.04 2.79 2.82 2hcbB1 ASN 165 HD21 0.04 0.02 -0.03 -0.04 7.03 7.01 2hcbB1 ASN 165 HD22 0.04 0.04 -0.02 -0.04 7.74 7.75 2hcbB1 GLU 166 H 0.10 0.25 0.03 -0.55 8.60 8.43 2hcbB1 GLU 166 HA 0.06 0.08 0.49 -0.75 4.29 4.17 2hcbB1 GLU 166 HB2 0.09 0.04 0.09 -0.04 2.09 2.26 2hcbB1 GLU 166 HB3 0.08 -0.00 0.11 -0.04 1.99 2.13 2hcbB1 GLU 166 HG2 0.17 0.20 0.18 -0.04 2.34 2.84 2hcbB1 GLU 166 HG3 0.20 0.01 -0.16 -0.04 2.34 2.35 2hcbB1 PHE 167 H 0.11 0.21 -0.46 -0.55 8.34 7.65 2hcbB1 PHE 167 HA -0.17 0.11 0.50 -0.75 4.62 4.30 2hcbB1 PHE 167 HB2 -1.02 0.00 -0.02 -0.04 3.15 2.07 2hcbB1 PHE 167 HB3 -0.21 0.12 0.05 -0.04 3.06 2.98 2hcbB1 PHE 167 HD2 -0.26 0.04 -0.06 -0.04 7.28 6.96 2hcbB1 PHE 167 HE2 -0.25 -0.02 -0.09 -0.04 7.38 6.98 2hcbB1 PHE 167 HZ -2.01 0.02 -0.04 -0.04 7.32 5.24 2hcbB1 ARG 168 H 0.16 0.39 -0.04 -0.55 8.46 8.42 2hcbB1 ARG 168 HA -0.09 0.01 0.37 -0.75 4.34 3.87 2hcbB1 ARG 168 HB2 0.08 0.10 0.22 -0.04 1.90 2.26 2hcbB1 ARG 168 HB3 0.06 -0.01 -0.02 -0.04 1.80 1.79 2hcbB1 ARG 168 HG2 0.15 -0.03 0.06 -0.04 1.67 1.80 2hcbB1 ARG 168 HG3 0.23 0.01 0.13 -0.04 1.67 2.00 2hcbB1 ARG 168 HD2 0.12 0.06 0.01 -0.04 3.22 3.37 2hcbB1 ARG 168 HD3 0.09 -0.01 0.02 -0.04 3.22 3.27 2hcbB1 ASN 169 H 0.04 0.59 -0.15 -0.55 8.53 8.47 2hcbB1 ASN 169 HA 0.03 0.02 0.29 -0.75 4.76 4.35 2hcbB1 ASN 169 HB2 0.03 0.00 0.09 -0.04 2.88 2.97 2hcbB1 ASN 169 HB3 0.02 0.02 -0.05 -0.04 2.79 2.74 2hcbB1 ASN 169 HD21 0.03 -0.05 -0.07 -0.04 7.03 6.90 2hcbB1 ASN 169 HD22 0.03 -0.03 -0.09 -0.04 7.74 7.61 2hcbB1 MET 170 H 0.01 0.34 -0.42 -0.55 8.47 7.85 2hcbB1 MET 170 HA -0.02 0.03 0.34 -0.75 4.52 4.11 2hcbB1 MET 170 HB2 0.00 0.05 0.15 -0.04 2.15 2.31 2hcbB1 MET 170 HB3 -0.03 0.16 0.17 -0.04 2.03 2.29 2hcbB1 MET 170 HG2 -0.32 -0.01 -0.23 -0.04 2.63 2.03 2hcbB1 MET 170 HG3 -0.09 -0.00 0.01 -0.04 2.56 2.43 2hcbB1 MET 170 HE3 0.15 -0.01 -0.01 -0.04 2.10 2.18 2hcbB1 TYR 171 H 0.12 0.36 -0.30 -0.55 8.29 7.92 2hcbB1 TYR 171 HA -0.02 0.08 0.36 -0.75 4.56 4.22 2hcbB1 TYR 171 HB2 -0.12 0.09 0.10 -0.04 3.06 3.09 2hcbB1 TYR 171 HB3 0.01 -0.04 -0.05 -0.04 2.98 2.86 2hcbB1 TYR 171 HD2 -0.23 0.19 -0.04 -0.04 7.15 7.03 2hcbB1 TYR 171 HE2 -0.05 -0.04 -0.10 -0.04 6.85 6.61 2hcbB1 LYS 172 H 0.06 0.41 -0.11 -0.55 8.42 8.23 2hcbB1 LYS 172 HA 0.03 0.09 0.51 -0.75 4.32 4.19 2hcbB1 LYS 172 HB2 0.02 0.04 0.04 -0.04 1.87 1.93 2hcbB1 LYS 172 HB3 0.01 -0.02 0.07 -0.04 1.79 1.80 2hcbB1 LYS 172 HG2 0.01 -0.03 0.01 -0.04 1.46 1.41 2hcbB1 LYS 172 HG3 0.05 0.01 0.00 -0.04 1.46 1.48 2hcbB1 LYS 172 HD2 0.04 -0.02 -0.24 -0.04 1.69 1.42 2hcbB1 LYS 172 HD3 0.02 -0.00 -0.08 -0.04 1.68 1.57 2hcbB1 LYS 172 HE2 0.03 0.02 -0.16 -0.04 2.99 2.83 2hcbB1 LYS 172 HE3 0.06 -0.05 -0.11 -0.04 2.99 2.85 2hcbB1 SER 173 H 0.01 0.24 -0.76 -0.55 8.46 7.40 2hcbB1 SER 173 HA 0.00 0.12 0.69 -0.75 4.49 4.55 2hcbB1 SER 173 HB2 -0.00 -0.10 0.13 -0.04 3.95 3.93 2hcbB1 SER 173 HB3 0.00 0.02 0.00 -0.04 3.93 3.91 2hcbB1 VAL 174 H -0.00 0.30 -0.46 -0.55 8.24 7.53 2hcbB1 VAL 174 HA 0.01 0.10 0.83 -0.75 4.13 4.31 2hcbB1 VAL 174 HB 0.00 0.03 0.02 -0.04 2.12 2.13 2hcbB1 VAL 174 HG13 -0.05 -0.01 -0.26 -0.04 0.97 0.61 2hcbB1 VAL 174 HG23 0.01 0.03 -0.27 -0.04 0.95 0.68 2hcbB1 ASP 175 H 0.04 0.38 0.30 -0.55 8.40 8.57 2hcbB1 ASP 175 HA -0.00 0.18 0.84 -0.75 4.63 4.90 2hcbB1 ASP 175 HB2 0.11 0.02 0.13 -0.04 2.71 2.93 2hcbB1 ASP 175 HB3 0.02 0.01 0.13 -0.04 2.70 2.82 2hcbB1 LEU 176 H 0.00 0.34 0.16 -0.55 8.37 8.33 2hcbB1 LEU 176 HA -0.04 0.43 0.94 -0.75 4.35 4.92 2hcbB1 LEU 176 HB2 -0.06 -0.04 -0.25 -0.04 1.64 1.26 2hcbB1 LEU 176 HB3 -0.00 -0.09 0.00 -0.04 1.64 1.51 2hcbB1 LEU 176 HG -0.09 0.02 -0.08 -0.04 1.64 1.46 2hcbB1 LEU 176 HD13 -0.02 -0.03 -0.18 -0.04 0.93 0.66 2hcbB1 LEU 176 HD23 -0.02 0.03 -0.21 -0.04 0.89 0.66 2hcbB1 LEU 177 H 0.01 0.70 0.37 -0.55 8.37 8.90 2hcbB1 LEU 177 HA 0.06 0.19 1.06 -0.75 4.35 4.90 2hcbB1 LEU 177 HB2 0.07 0.12 -0.06 -0.04 1.64 1.73 2hcbB1 LEU 177 HB3 0.10 -0.09 0.13 -0.04 1.64 1.74 2hcbB1 LEU 177 HG 0.15 -0.08 -0.29 -0.04 1.64 1.38 2hcbB1 LEU 177 HD13 0.22 0.03 -0.01 -0.04 0.93 1.13 2hcbB1 LEU 177 HD23 0.30 -0.01 -0.13 -0.04 0.89 1.01 2hcbB1 LEU 178 H 0.05 0.67 0.25 -0.55 8.37 8.79 2hcbB1 LEU 178 HA 0.01 0.29 1.02 -0.75 4.35 4.91 2hcbB1 LEU 178 HB2 0.10 -0.09 0.33 -0.04 1.64 1.94 2hcbB1 LEU 178 HB3 0.09 -0.10 0.03 -0.04 1.64 1.62 2hcbB1 LEU 178 HG 0.07 0.01 -0.21 -0.04 1.64 1.46 2hcbB1 LEU 178 HD13 0.17 -0.01 -0.18 -0.04 0.93 0.87 2hcbB1 LEU 178 HD23 0.04 0.01 -0.06 -0.04 0.89 0.84 2hcbB1 LEU 179 H -0.05 0.62 0.20 -0.55 8.37 8.60 2hcbB1 LEU 179 HA -0.21 0.28 1.01 -0.75 4.35 4.67 2hcbB1 LEU 179 HB2 -0.05 0.05 -0.04 -0.04 1.64 1.56 2hcbB1 LEU 179 HB3 -0.17 -0.09 0.19 -0.04 1.64 1.53 2hcbB1 LEU 179 HG -0.32 0.03 -0.20 -0.04 1.64 1.11 2hcbB1 LEU 179 HD13 -0.32 0.02 -0.10 -0.04 0.93 0.50 2hcbB1 LEU 179 HD23 -0.86 -0.03 -0.04 -0.04 0.89 -0.08 2hcbB1 ASP 180 H -0.40 0.73 0.26 -0.55 8.40 8.44 2hcbB1 ASP 180 HA -0.20 0.07 0.50 -0.75 4.63 4.24 2hcbB1 ASP 180 HB2 -0.47 0.13 -0.07 -0.04 2.71 2.26 2hcbB1 ASP 180 HB3 -0.19 -0.08 -0.07 -0.04 2.70 2.32 2hcbB1 ASP 181 H -0.20 0.06 0.12 -0.55 8.40 7.83 2hcbB1 ASP 181 HA -0.37 -0.06 0.43 -0.75 4.63 3.88 2hcbB1 ASP 181 HB2 -0.17 -0.03 -0.01 -0.04 2.71 2.46 2hcbB1 ASP 181 HB3 -1.01 -0.00 0.24 -0.04 2.70 1.88 2hcbB1 VAL 182 H -0.35 1.06 0.25 -0.55 8.24 8.65 2hcbB1 VAL 182 HA -0.29 0.12 0.35 -0.75 4.13 3.55 2hcbB1 VAL 182 HB -0.41 -0.05 -0.00 -0.04 2.12 1.62 2hcbB1 VAL 182 HG13 -0.34 0.01 -0.18 -0.04 0.97 0.41 2hcbB1 VAL 182 HG23 -0.40 0.05 0.06 -0.04 0.95 0.62 2hcbB1 GLN 183 H -0.31 -0.02 -0.09 -0.55 8.47 7.51 2hcbB1 GLN 183 HA -0.09 0.10 0.27 -0.75 4.36 3.89 2hcbB1 GLN 183 HB2 -0.08 0.11 0.10 -0.04 2.15 2.24 2hcbB1 GLN 183 HB3 -0.18 -0.18 0.17 -0.04 2.02 1.80 2hcbB1 GLN 183 HG2 -0.98 0.04 -0.12 -0.04 2.40 1.30 2hcbB1 GLN 183 HG3 -0.31 0.10 -0.12 -0.04 2.39 2.02 2hcbB1 GLN 183 HE21 -0.15 -0.00 0.05 -0.04 6.97 6.82 2hcbB1 GLN 183 HE22 -0.14 0.11 0.01 -0.04 7.69 7.62 2hcbB1 PHE 184 H -0.26 0.32 -0.70 -0.55 8.34 7.15 2hcbB1 PHE 184 HA -0.02 0.11 0.48 -0.75 4.62 4.43 2hcbB1 PHE 184 HB2 -0.04 -0.02 0.10 -0.04 3.15 3.15 2hcbB1 PHE 184 HB3 -0.02 0.00 0.17 -0.04 3.06 3.18 2hcbB1 PHE 184 HD2 -0.03 -0.06 -0.00 -0.04 7.28 7.15 2hcbB1 PHE 184 HE2 -0.02 -0.00 0.02 -0.04 7.38 7.33 2hcbB1 PHE 184 HZ -0.01 -0.00 0.02 -0.04 7.32 7.28 2hcbB1 LEU 185 H 0.03 0.20 -0.58 -0.55 8.37 7.48 2hcbB1 LEU 185 HA 0.05 0.08 0.70 -0.75 4.35 4.43 2hcbB1 LEU 185 HB2 0.01 0.03 0.01 -0.04 1.64 1.66 2hcbB1 LEU 185 HB3 0.05 -0.05 -0.03 -0.04 1.64 1.57 2hcbB1 LEU 185 HG -0.01 -0.05 0.01 -0.04 1.64 1.55 2hcbB1 LEU 185 HD13 -0.13 0.07 -0.06 -0.04 0.93 0.76 2hcbB1 LEU 185 HD23 -0.05 -0.01 -0.04 -0.04 0.89 0.75 2hcbB1 SER 186 H 0.06 0.21 -0.01 -0.55 8.46 8.18 2hcbB1 SER 186 HA 0.04 0.45 0.49 -0.75 4.49 4.72 2hcbB1 SER 186 HB2 0.05 0.12 0.14 -0.04 3.95 4.22 2hcbB1 SER 186 HB3 0.07 -0.05 0.13 -0.04 3.93 4.03 2hcbB1 GLY 187 H 0.03 0.31 0.28 -0.55 8.43 8.50 2hcbB1 GLY 187 HA2 0.01 -0.06 0.38 -0.51 4.01 3.83 2hcbB1 GLY 187 HA3 0.02 0.13 0.46 -0.51 4.01 4.11 2hcbB1 LYS 188 H 0.03 0.54 -0.43 -0.55 8.42 8.01 2hcbB1 LYS 188 HA 0.02 -0.01 0.58 -0.75 4.32 4.16 2hcbB1 LYS 188 HB2 0.05 0.16 0.14 -0.04 1.87 2.19 2hcbB1 LYS 188 HB3 0.05 -0.25 0.07 -0.04 1.79 1.62 2hcbB1 LYS 188 HG2 0.02 -0.06 0.04 -0.04 1.46 1.42 2hcbB1 LYS 188 HG3 0.03 0.08 0.00 -0.04 1.46 1.53 2hcbB1 LYS 188 HD2 0.06 0.27 0.07 -0.04 1.69 2.04 2hcbB1 LYS 188 HD3 0.06 -0.11 0.05 -0.04 1.68 1.64 2hcbB1 LYS 188 HE2 0.02 -0.09 0.05 -0.04 2.99 2.93 2hcbB1 LYS 188 HE3 0.01 -0.03 0.02 -0.04 2.99 2.94 2hcbB1 GLU 189 H 0.01 0.16 0.30 -0.55 8.60 8.54 2hcbB1 GLU 189 HA 0.01 0.17 0.65 -0.75 4.29 4.37 2hcbB1 GLU 189 HB2 -0.00 0.12 0.07 -0.04 2.09 2.24 2hcbB1 GLU 189 HB3 0.00 -0.00 0.14 -0.04 1.99 2.09 2hcbB1 GLU 189 HG2 -0.02 -0.03 -0.05 -0.04 2.34 2.20 2hcbB1 GLU 189 HG3 -0.02 -0.02 0.04 -0.04 2.34 2.30 2hcbB1 ARG 190 H 0.02 0.10 0.16 -0.55 8.46 8.19 2hcbB1 ARG 190 HA 0.02 0.16 0.63 -0.75 4.34 4.40 2hcbB1 ARG 190 HB2 0.02 0.05 0.11 -0.04 1.90 2.03 2hcbB1 ARG 190 HB3 0.02 -0.02 0.10 -0.04 1.80 1.86 2hcbB1 ARG 190 HG2 0.01 0.05 -0.04 -0.04 1.67 1.65 2hcbB1 ARG 190 HG3 0.03 -0.00 -0.19 -0.04 1.67 1.47 2hcbB1 ARG 190 HD2 0.04 -0.03 0.08 -0.04 3.22 3.26 2hcbB1 ARG 190 HD3 0.02 0.03 0.02 -0.04 3.22 3.25 2hcbB1 THR 191 H 0.05 -0.03 -0.19 -0.55 8.28 7.56 2hcbB1 THR 191 HA 0.11 0.12 0.28 -0.75 4.39 4.14 2hcbB1 THR 191 HB 0.08 0.11 -0.04 -0.04 4.32 4.43 2hcbB1 THR 191 HG23 0.12 0.03 0.07 -0.04 1.22 1.40 2hcbB1 GLN 192 H 0.07 0.06 -0.69 -0.55 8.47 7.36 2hcbB1 GLN 192 HA 0.14 0.14 0.59 -0.75 4.36 4.47 2hcbB1 GLN 192 HB2 0.04 0.09 0.21 -0.04 2.15 2.45 2hcbB1 GLN 192 HB3 0.06 -0.09 0.02 -0.04 2.02 1.96 2hcbB1 GLN 192 HG2 0.08 -0.07 0.04 -0.04 2.40 2.41 2hcbB1 GLN 192 HG3 0.06 0.15 0.09 -0.04 2.39 2.65 2hcbB1 GLN 192 HE21 0.01 -0.25 0.07 -0.04 6.97 6.76 2hcbB1 GLN 192 HE22 0.01 0.03 0.08 -0.04 7.69 7.77 2hcbB1 ILE 193 H 0.02 0.38 -0.01 -0.55 8.25 8.09 2hcbB1 ILE 193 HA -0.11 -0.03 0.28 -0.75 4.18 3.56 2hcbB1 ILE 193 HB -0.01 0.07 0.17 -0.04 1.89 2.08 2hcbB1 ILE 193 HG12 -0.10 -0.08 0.17 -0.04 1.49 1.44 2hcbB1 ILE 193 HG13 -0.05 0.06 0.11 -0.04 1.21 1.29 2hcbB1 ILE 193 HG23 -0.07 0.01 -0.16 -0.04 0.93 0.66 2hcbB1 ILE 193 HD13 -0.19 -0.01 0.03 -0.04 0.88 0.67 2hcbB1 GLU 194 H 0.11 0.33 -0.47 -0.55 8.60 8.02 2hcbB1 GLU 194 HA 0.13 0.02 0.42 -0.75 4.29 4.10 2hcbB1 GLU 194 HB2 0.17 0.11 0.06 -0.04 2.09 2.39 2hcbB1 GLU 194 HB3 0.36 0.07 -0.04 -0.04 1.99 2.34 2hcbB1 GLU 194 HG2 0.29 -0.00 -0.01 -0.04 2.34 2.57 2hcbB1 GLU 194 HG3 0.29 -0.02 0.01 -0.04 2.34 2.58 2hcbB1 PHE 195 H 0.32 0.54 -0.06 -0.55 8.34 8.58 2hcbB1 PHE 195 HA 0.04 0.05 0.51 -0.75 4.62 4.46 2hcbB1 PHE 195 HB2 -0.30 0.01 0.11 -0.04 3.15 2.93 2hcbB1 PHE 195 HB3 -0.02 0.12 0.16 -0.04 3.06 3.28 2hcbB1 PHE 195 HD2 -0.19 -0.01 -0.11 -0.04 7.28 6.93 2hcbB1 PHE 195 HE2 0.05 0.02 -0.12 -0.04 7.38 7.29 2hcbB1 PHE 195 HZ 0.31 0.04 -0.11 -0.04 7.32 7.51 2hcbB1 PHE 196 H 0.15 0.30 -0.28 -0.55 8.34 7.96 2hcbB1 PHE 196 HA -0.26 0.01 0.35 -0.75 4.62 3.97 2hcbB1 PHE 196 HB2 -0.14 -0.13 -0.02 -0.04 3.15 2.82 2hcbB1 PHE 196 HB3 -0.36 0.37 0.14 -0.04 3.06 3.18 2hcbB1 PHE 196 HD2 -0.19 0.01 -0.16 -0.04 7.28 6.89 2hcbB1 PHE 196 HE2 0.03 0.03 -0.09 -0.04 7.38 7.31 2hcbB1 PHE 196 HZ -0.01 0.03 -0.05 -0.04 7.32 7.25 2hcbB1 HIS 197 H -0.12 0.37 -0.36 -0.55 8.41 7.76 2hcbB1 HIS 197 HA -0.11 0.05 0.48 -0.75 4.63 4.29 2hcbB1 HIS 197 HB2 0.08 0.11 0.15 -0.04 3.26 3.56 2hcbB1 HIS 197 HB3 0.04 -0.01 0.00 -0.04 3.20 3.19 2hcbB1 HIS 197 HD2 0.11 -0.03 -0.01 -0.04 6.97 7.00 2hcbB1 HIS 197 HE1 0.25 -0.04 -0.04 -0.04 7.75 7.88 2hcbB1 ILE 198 H 0.05 0.38 0.03 -0.55 8.25 8.16 2hcbB1 ILE 198 HA 0.00 0.03 0.39 -0.75 4.18 3.85 2hcbB1 ILE 198 HB 0.05 0.05 -0.04 -0.04 1.89 1.90 2hcbB1 ILE 198 HG12 0.02 0.09 0.26 -0.04 1.49 1.81 2hcbB1 ILE 198 HG13 -0.23 0.15 -0.02 -0.04 1.21 1.07 2hcbB1 ILE 198 HG23 0.05 0.02 0.05 -0.04 0.93 1.00 2hcbB1 ILE 198 HD13 0.10 -0.03 -0.06 -0.04 0.88 0.86 2hcbB1 PHE 199 H -0.26 0.46 -0.55 -0.55 8.34 7.43 2hcbB1 PHE 199 HA -0.31 0.05 0.36 -0.75 4.62 3.97 2hcbB1 PHE 199 HB2 -1.18 0.01 -0.02 -0.04 3.15 1.93 2hcbB1 PHE 199 HB3 -0.56 0.09 0.14 -0.04 3.06 2.69 2hcbB1 PHE 199 HD2 -0.23 -0.01 -0.13 -0.04 7.28 6.87 2hcbB1 PHE 199 HE2 0.04 0.01 -0.11 -0.04 7.38 7.28 2hcbB1 PHE 199 HZ 0.15 0.09 -0.12 -0.04 7.32 7.40 2hcbB1 ASN 200 H -0.18 0.55 0.06 -0.55 8.53 8.42 2hcbB1 ASN 200 HA -0.20 -0.00 0.42 -0.75 4.76 4.22 2hcbB1 ASN 200 HB2 -0.21 0.04 0.19 -0.04 2.88 2.86 2hcbB1 ASN 200 HB3 -0.18 -0.04 0.03 -0.04 2.79 2.56 2hcbB1 ASN 200 HD21 -2.35 -0.11 -0.03 -0.04 7.03 4.50 2hcbB1 ASN 200 HD22 -0.73 -0.06 -0.04 -0.04 7.74 6.87 2hcbB1 THR 201 H -0.09 0.86 -0.10 -0.55 8.28 8.40 2hcbB1 THR 201 HA -0.05 -0.03 0.38 -0.75 4.39 3.93 2hcbB1 THR 201 HB -0.03 0.02 0.11 -0.04 4.32 4.37 2hcbB1 THR 201 HG23 -0.02 0.00 -0.13 -0.04 1.22 1.03 2hcbB1 LEU 202 H -0.11 0.60 -0.14 -0.55 8.37 8.17 2hcbB1 LEU 202 HA -0.07 0.03 0.30 -0.75 4.35 3.85 2hcbB1 LEU 202 HB2 -0.18 0.12 0.17 -0.04 1.64 1.70 2hcbB1 LEU 202 HB3 -0.13 -0.01 -0.12 -0.04 1.64 1.34 2hcbB1 LEU 202 HG -0.03 -0.05 0.06 -0.04 1.64 1.58 2hcbB1 LEU 202 HD13 0.02 0.00 -0.13 -0.04 0.93 0.78 2hcbB1 LEU 202 HD23 -0.02 0.01 -0.04 -0.04 0.89 0.79 2hcbB1 TYR 203 H -0.17 0.54 -0.26 -0.55 8.29 7.85 2hcbB1 TYR 203 HA -0.28 0.04 0.35 -0.75 4.56 3.92 2hcbB1 TYR 203 HB2 -0.59 0.05 0.08 -0.04 3.06 2.56 2hcbB1 TYR 203 HB3 -0.25 0.05 0.20 -0.04 2.98 2.93 2hcbB1 TYR 203 HD2 -0.31 0.00 -0.18 -0.04 7.15 6.62 2hcbB1 TYR 203 HE2 -0.06 -0.00 -0.01 -0.04 6.85 6.74 2hcbB1 LEU 204 H 0.03 0.53 0.03 -0.55 8.37 8.42 2hcbB1 LEU 204 HA 0.09 0.01 0.34 -0.75 4.35 4.04 2hcbB1 LEU 204 HB2 -0.02 0.11 0.11 -0.04 1.64 1.80 2hcbB1 LEU 204 HB3 -0.00 -0.06 0.10 -0.04 1.64 1.63 2hcbB1 LEU 204 HG -0.02 0.09 0.11 -0.04 1.64 1.78 2hcbB1 LEU 204 HD13 -0.04 -0.03 -0.00 -0.04 0.93 0.81 2hcbB1 LEU 204 HD23 0.02 -0.02 0.03 -0.04 0.89 0.88 2hcbB1 LEU 205 H -0.05 0.36 -0.47 -0.55 8.37 7.67 2hcbB1 LEU 205 HA -0.04 0.05 0.73 -0.75 4.35 4.34 2hcbB1 LEU 205 HB2 -0.05 0.12 0.07 -0.04 1.64 1.74 2hcbB1 LEU 205 HB3 -0.04 -0.06 0.14 -0.04 1.64 1.64 2hcbB1 LEU 205 HG -0.03 0.03 -0.03 -0.04 1.64 1.58 2hcbB1 LEU 205 HD13 -0.03 -0.02 -0.07 -0.04 0.93 0.77 2hcbB1 LEU 205 HD23 -0.02 -0.03 -0.01 -0.04 0.89 0.79 2hcbB1 GLU 206 H -0.12 0.55 -0.23 -0.55 8.60 8.25 2hcbB1 GLU 206 HA -0.23 0.10 0.39 -0.75 4.29 3.80 2hcbB1 GLU 206 HB2 -0.08 0.03 -0.30 -0.04 2.09 1.70 2hcbB1 GLU 206 HB3 -0.11 -0.05 0.15 -0.04 1.99 1.94 2hcbB1 GLU 206 HG2 -0.18 0.07 0.10 -0.04 2.34 2.29 2hcbB1 GLU 206 HG3 -0.10 -0.01 -0.05 -0.04 2.34 2.15 2hcbB1 LYS 207 H -0.14 0.42 -0.08 -0.55 8.42 8.07 2hcbB1 LYS 207 HA -0.09 0.15 0.77 -0.75 4.32 4.39 2hcbB1 LYS 207 HB2 -0.08 -0.08 -0.04 -0.04 1.87 1.63 2hcbB1 LYS 207 HB3 -0.05 0.02 0.09 -0.04 1.79 1.80 2hcbB1 LYS 207 HG2 -0.06 0.11 -0.30 -0.04 1.46 1.17 2hcbB1 LYS 207 HG3 -0.05 -0.05 -0.04 -0.04 1.46 1.27 2hcbB1 LYS 207 HD2 -0.02 0.18 0.05 -0.04 1.69 1.86 2hcbB1 LYS 207 HD3 -0.01 -0.12 0.06 -0.04 1.68 1.57 2hcbB1 LYS 207 HE2 -0.01 0.02 -0.02 -0.04 2.99 2.94 2hcbB1 LYS 207 HE3 -0.02 -0.03 -0.00 -0.04 2.99 2.90 2hcbB1 GLN 208 H -0.10 0.67 0.21 -0.55 8.47 8.70 2hcbB1 GLN 208 HA -0.12 -0.04 0.26 -0.75 4.36 3.71 2hcbB1 GLN 208 HB2 -0.13 -0.11 0.02 -0.04 2.15 1.89 2hcbB1 GLN 208 HB3 -0.11 0.06 0.23 -0.04 2.02 2.16 2hcbB1 GLN 208 HG2 -0.09 0.03 -0.03 -0.04 2.40 2.27 2hcbB1 GLN 208 HG3 -0.06 -0.07 -0.21 -0.04 2.39 2.02 2hcbB1 GLN 208 HE21 -0.02 0.33 0.37 -0.04 6.97 7.61 2hcbB1 GLN 208 HE22 -0.03 -0.07 -0.07 -0.04 7.69 7.49 2hcbB1 ILE 209 H -0.07 0.18 0.14 -0.55 8.25 7.95 2hcbB1 ILE 209 HA 0.02 0.10 1.00 -0.75 4.18 4.55 2hcbB1 ILE 209 HB -0.06 0.12 -0.19 -0.04 1.89 1.71 2hcbB1 ILE 209 HG12 0.23 -0.06 -0.23 -0.04 1.49 1.39 2hcbB1 ILE 209 HG13 0.13 0.04 0.07 -0.04 1.21 1.40 2hcbB1 ILE 209 HG23 -0.07 -0.02 -0.05 -0.04 0.93 0.75 2hcbB1 ILE 209 HD13 0.25 -0.01 -0.11 -0.04 0.88 0.97 2hcbB1 ILE 210 H 0.04 0.78 0.37 -0.55 8.25 8.90 2hcbB1 ILE 210 HA 0.07 0.35 1.20 -0.75 4.18 5.04 2hcbB1 ILE 210 HB -0.00 -0.09 0.13 -0.04 1.89 1.89 2hcbB1 ILE 210 HG12 0.00 0.09 -0.09 -0.04 1.49 1.45 2hcbB1 ILE 210 HG13 -0.00 -0.08 -0.29 -0.04 1.21 0.80 2hcbB1 ILE 210 HG23 -0.01 -0.00 -0.00 -0.04 0.93 0.87 2hcbB1 ILE 210 HD13 -0.03 -0.01 -0.08 -0.04 0.88 0.72 2hcbB1 LEU 211 H 0.03 0.89 0.47 -0.55 8.37 9.23 2hcbB1 LEU 211 HA -0.13 0.23 1.00 -0.75 4.35 4.69 2hcbB1 LEU 211 HB2 -0.17 -0.02 0.17 -0.04 1.64 1.57 2hcbB1 LEU 211 HB3 -0.42 -0.14 0.16 -0.04 1.64 1.20 2hcbB1 LEU 211 HG 0.11 -0.06 -0.03 -0.04 1.64 1.61 2hcbB1 LEU 211 HD13 0.27 -0.00 -0.23 -0.04 0.93 0.92 2hcbB1 LEU 211 HD23 0.52 0.05 -0.16 -0.04 0.89 1.26 2hcbB1 ALA 212 H -0.40 0.32 0.31 -0.55 8.40 8.08 2hcbB1 ALA 212 HA -0.43 0.37 0.79 -0.75 4.34 4.31 2hcbB1 ALA 212 HB3 -0.17 -0.02 -0.01 -0.04 1.41 1.17 2hcbB1 SER 213 H -0.33 0.80 0.47 -0.55 8.46 8.86 2hcbB1 SER 213 HA -0.27 -0.07 0.92 -0.75 4.49 4.32 2hcbB1 SER 213 HB2 -0.36 0.05 -0.11 -0.04 3.95 3.48 2hcbB1 SER 213 HB3 -0.10 0.40 0.12 -0.04 3.93 4.30 2hcbB1 ASP 214 H -0.13 0.09 0.22 -0.55 8.40 8.03 2hcbB1 ASP 214 HA 0.00 0.21 0.88 -0.75 4.63 4.96 2hcbB1 ASP 214 HB2 0.01 0.05 0.15 -0.04 2.71 2.87 2hcbB1 ASP 214 HB3 -0.06 -0.08 0.12 -0.04 2.70 2.64 2hcbB1 ARG 215 H 0.03 -0.03 -0.09 -0.55 8.46 7.81 2hcbB1 ARG 215 HA 0.22 0.25 0.88 -0.75 4.34 4.93 2hcbB1 ARG 215 HB2 0.07 0.05 0.00 -0.04 1.90 1.98 2hcbB1 ARG 215 HB3 0.07 0.07 -0.10 -0.04 1.80 1.79 2hcbB1 ARG 215 HG2 0.01 -0.27 -0.01 -0.04 1.67 1.36 2hcbB1 ARG 215 HG3 0.03 0.08 -0.28 -0.04 1.67 1.46 2hcbB1 ARG 215 HD2 0.02 0.02 -0.04 -0.04 3.22 3.17 2hcbB1 ARG 215 HD3 0.03 0.19 -0.07 -0.04 3.22 3.33 2hcbB1 HIS 216 H 0.13 0.14 0.07 -0.55 8.41 8.21 2hcbB1 HIS 216 HA -0.87 0.19 0.48 -0.75 4.63 3.67 2hcbB1 HIS 216 HB2 -0.35 0.06 0.06 -0.04 3.26 2.99 2hcbB1 HIS 216 HB3 -0.15 -0.05 0.06 -0.04 3.20 3.02 2hcbB1 HIS 216 HD2 -0.17 0.02 -0.05 -0.04 6.97 6.73 2hcbB1 HIS 216 HE1 -0.11 0.06 -0.04 -0.04 7.75 7.61 2hcbB1 PRO 217 HA -0.29 0.07 0.27 -0.51 4.44 3.98 2hcbB1 PRO 217 HB2 -0.40 0.03 0.01 -0.04 2.28 1.88 2hcbB1 PRO 217 HB3 -0.38 0.07 0.06 -0.04 2.02 1.74 2hcbB1 PRO 217 HG2 -0.95 0.09 -0.07 -0.04 2.03 1.06 2hcbB1 PRO 217 HG3 -2.23 0.08 -0.04 -0.04 2.03 -0.20 2hcbB1 PRO 217 HD2 -1.87 0.09 0.12 -0.04 3.68 1.98 2hcbB1 PRO 217 HD3 -0.83 0.20 0.12 -0.04 3.65 3.11 2hcbB1 GLN 218 H 0.26 0.09 -0.36 -0.55 8.47 7.91 2hcbB1 GLN 218 HA 0.02 0.16 0.45 -0.75 4.36 4.24 2hcbB1 GLN 218 HB2 0.02 0.04 0.07 -0.04 2.15 2.24 2hcbB1 GLN 218 HB3 0.06 0.03 -0.00 -0.04 2.02 2.07 2hcbB1 GLN 218 HG2 0.37 -0.12 -0.09 -0.04 2.40 2.52 2hcbB1 GLN 218 HG3 -0.03 0.03 -0.18 -0.04 2.39 2.18 2hcbB1 GLN 218 HE21 -0.14 0.04 -0.04 -0.04 6.97 6.79 2hcbB1 GLN 218 HE22 -0.58 -0.03 -0.06 -0.04 7.69 6.98 2hcbB1 LYS 219 H 0.06 0.61 -0.28 -0.55 8.42 8.25 2hcbB1 LYS 219 HA 0.02 0.17 0.79 -0.75 4.32 4.54 2hcbB1 LYS 219 HB2 0.05 0.05 0.06 -0.04 1.87 2.00 2hcbB1 LYS 219 HB3 0.04 -0.03 0.16 -0.04 1.79 1.91 2hcbB1 LYS 219 HG2 0.01 0.06 -0.01 -0.04 1.46 1.48 2hcbB1 LYS 219 HG3 0.01 -0.07 -0.10 -0.04 1.46 1.27 2hcbB1 LYS 219 HD2 0.08 -0.15 0.06 -0.04 1.69 1.63 2hcbB1 LYS 219 HD3 0.05 0.02 0.04 -0.04 1.68 1.74 2hcbB1 LYS 219 HE2 -0.03 -0.00 -0.02 -0.04 2.99 2.90 2hcbB1 LYS 219 HE3 0.04 0.00 0.00 -0.04 2.99 3.00 2hcbB1 LEU 220 H 0.02 0.32 -0.52 -0.55 8.37 7.65 2hcbB1 LEU 220 HA 0.03 0.08 0.57 -0.75 4.35 4.28 2hcbB1 LEU 220 HB2 0.05 0.37 0.20 -0.04 1.64 2.21 2hcbB1 LEU 220 HB3 0.06 -0.06 0.04 -0.04 1.64 1.65 2hcbB1 LEU 220 HG 0.02 -0.01 -0.26 -0.04 1.64 1.35 2hcbB1 LEU 220 HD13 0.04 -0.01 -0.07 -0.04 0.93 0.85 2hcbB1 LEU 220 HD23 -0.00 -0.03 -0.09 -0.04 0.89 0.73 2hcbB1 ASP 221 H 0.02 0.32 -0.22 -0.55 8.40 7.98 2hcbB1 ASP 221 HA 0.02 0.05 0.50 -0.75 4.63 4.44 2hcbB1 ASP 221 HB2 0.02 0.01 0.03 -0.04 2.71 2.74 2hcbB1 ASP 221 HB3 0.01 -0.03 0.05 -0.04 2.70 2.69 2hcbB1 GLY 222 H 0.01 0.14 0.13 -0.55 8.43 8.17 2hcbB1 GLY 222 HA2 0.01 0.02 0.30 -0.51 4.01 3.84 2hcbB1 GLY 222 HA3 0.02 0.03 0.40 -0.51 4.01 3.95 2hcbB1 VAL 223 H 0.02 0.25 -0.16 -0.55 8.24 7.80 2hcbB1 VAL 223 HA 0.04 0.12 0.61 -0.75 4.13 4.15 2hcbB1 VAL 223 HB 0.07 0.25 -0.05 -0.04 2.12 2.35 2hcbB1 VAL 223 HG13 0.15 0.01 -0.16 -0.04 0.97 0.92 2hcbB1 VAL 223 HG23 0.07 0.01 -0.36 -0.04 0.95 0.63 2hcbB1 SER 224 H 0.00 0.15 0.05 -0.55 8.46 8.11 2hcbB1 SER 224 HA -0.04 0.07 0.31 -0.75 4.49 4.08 2hcbB1 SER 224 HB2 -0.11 0.05 0.11 -0.04 3.95 3.96 2hcbB1 SER 224 HB3 -0.07 0.09 0.13 -0.04 3.93 4.04 2hcbB1 ASP 225 H -0.05 0.17 0.20 -0.55 8.40 8.18 2hcbB1 ASP 225 HA -0.04 0.14 0.45 -0.75 4.63 4.44 2hcbB1 ASP 225 HB2 -0.04 -0.00 0.19 -0.04 2.71 2.81 2hcbB1 ASP 225 HB3 -0.05 0.04 0.02 -0.04 2.70 2.68 2hcbB1 ARG 226 H -0.09 -0.00 -0.37 -0.55 8.46 7.45 2hcbB1 ARG 226 HA -0.05 0.17 0.24 -0.75 4.34 3.95 2hcbB1 ARG 226 HB2 0.11 0.11 0.00 -0.04 1.90 2.09 2hcbB1 ARG 226 HB3 -0.06 0.02 0.01 -0.04 1.80 1.73 2hcbB1 ARG 226 HG2 -0.16 -0.22 -0.04 -0.04 1.67 1.21 2hcbB1 ARG 226 HG3 -0.18 0.07 -0.18 -0.04 1.67 1.34 2hcbB1 ARG 226 HD2 -0.74 0.08 -0.04 -0.04 3.22 2.49 2hcbB1 ARG 226 HD3 -0.24 0.01 -0.01 -0.04 3.22 2.95 2hcbB1 LEU 227 H -0.12 0.21 -0.34 -0.55 8.37 7.58 2hcbB1 LEU 227 HA -0.49 0.21 0.64 -0.75 4.35 3.95 2hcbB1 LEU 227 HB2 -0.11 0.06 0.00 -0.04 1.64 1.56 2hcbB1 LEU 227 HB3 -0.51 0.03 -0.10 -0.04 1.64 1.02 2hcbB1 LEU 227 HG 0.03 -0.06 -0.10 -0.04 1.64 1.46 2hcbB1 LEU 227 HD13 0.11 -0.04 -0.06 -0.04 0.93 0.91 2hcbB1 LEU 227 HD23 -0.02 0.02 -0.09 -0.04 0.89 0.75 2hcbB1 VAL 228 H -0.15 0.36 -0.14 -0.55 8.24 7.77 2hcbB1 VAL 228 HA 0.09 0.03 0.44 -0.75 4.13 3.94 2hcbB1 VAL 228 HB -0.04 0.09 0.08 -0.04 2.12 2.21 2hcbB1 VAL 228 HG13 -0.02 -0.01 -0.26 -0.04 0.97 0.64 2hcbB1 VAL 228 HG23 0.05 0.05 -0.03 -0.04 0.95 0.98 2hcbB1 SER 229 H -0.12 0.40 -0.13 -0.55 8.46 8.07 2hcbB1 SER 229 HA -0.06 0.07 0.44 -0.75 4.49 4.18 2hcbB1 SER 229 HB2 -0.05 0.03 0.08 -0.04 3.95 3.97 2hcbB1 SER 229 HB3 -0.05 -0.06 0.07 -0.04 3.93 3.85 2hcbB1 ARG 230 H -0.32 -0.07 -1.08 -0.55 8.46 6.44 2hcbB1 ARG 230 HA -0.09 0.19 0.75 -0.75 4.34 4.44 2hcbB1 ARG 230 HB2 -0.62 -0.02 0.14 -0.04 1.90 1.35 2hcbB1 ARG 230 HB3 -0.52 -0.04 -0.09 -0.04 1.80 1.11 2hcbB1 ARG 230 HG2 -0.06 -0.00 0.01 -0.04 1.67 1.57 2hcbB1 ARG 230 HG3 -0.14 0.03 -0.06 -0.04 1.67 1.46 2hcbB1 ARG 230 HD2 -0.21 0.03 -0.01 -0.04 3.22 3.00 2hcbB1 ARG 230 HD3 -0.54 -0.06 -0.02 -0.04 3.22 2.56 2hcbB1 PHE 231 H -0.47 0.34 -0.02 -0.55 8.34 7.64 2hcbB1 PHE 231 HA -0.00 0.05 0.36 -0.75 4.62 4.27 2hcbB1 PHE 231 HB2 -0.39 0.00 0.19 -0.04 3.15 2.91 2hcbB1 PHE 231 HB3 -0.82 -0.10 -0.02 -0.04 3.06 2.08 2hcbB1 PHE 231 HD2 -0.01 -0.01 -0.07 -0.04 7.28 7.15 2hcbB1 PHE 231 HE2 0.06 -0.03 -0.14 -0.04 7.38 7.23 2hcbB1 PHE 231 HZ 0.04 -0.05 -0.10 -0.04 7.32 7.18 2hcbB1 GLU 232 H -0.08 0.50 0.02 -0.55 8.60 8.50 2hcbB1 GLU 232 HA -0.09 -0.05 0.57 -0.75 4.29 3.96 2hcbB1 GLU 232 HB2 -0.05 0.08 0.08 -0.04 2.09 2.16 2hcbB1 GLU 232 HB3 -0.03 0.00 -0.06 -0.04 1.99 1.87 2hcbB1 GLU 232 HG2 -0.15 -0.04 -0.00 -0.04 2.34 2.10 2hcbB1 GLU 232 HG3 -0.22 -0.05 0.00 -0.04 2.34 2.03 2hcbB1 GLY 233 H 0.05 0.05 -0.05 -0.55 8.43 7.93 2hcbB1 GLY 233 HA2 0.08 -0.07 0.25 -0.51 4.01 3.76 2hcbB1 GLY 233 HA3 0.08 0.28 0.71 -0.51 4.01 4.57 2hcbB1 GLY 234 H 0.18 0.30 -0.15 -0.55 8.43 8.22 2hcbB1 GLY 234 HA2 0.53 0.11 0.76 -0.51 4.01 4.91 2hcbB1 GLY 234 HA3 0.33 0.28 0.46 -0.51 4.01 4.57 2hcbB1 ILE 235 H 0.22 0.52 0.16 -0.55 8.25 8.60 2hcbB1 ILE 235 HA 0.00 0.12 0.58 -0.75 4.18 4.14 2hcbB1 ILE 235 HB 0.07 -0.04 -0.01 -0.04 1.89 1.87 2hcbB1 ILE 235 HG12 -0.35 0.03 -0.01 -0.04 1.49 1.13 2hcbB1 ILE 235 HG13 -0.39 0.04 -0.65 -0.04 1.21 0.17 2hcbB1 ILE 235 HG23 0.00 -0.03 -0.22 -0.04 0.93 0.64 2hcbB1 ILE 235 HD13 -0.19 0.00 -0.14 -0.04 0.88 0.51 2hcbB1 LEU 236 H 0.05 0.18 0.09 -0.55 8.37 8.15 2hcbB1 LEU 236 HA 0.19 0.31 1.07 -0.75 4.35 5.17 2hcbB1 LEU 236 HB2 0.04 -0.01 0.14 -0.04 1.64 1.77 2hcbB1 LEU 236 HB3 0.15 -0.05 -0.02 -0.04 1.64 1.68 2hcbB1 LEU 236 HG -0.30 -0.02 -0.01 -0.04 1.64 1.27 2hcbB1 LEU 236 HD13 -0.17 0.02 -0.15 -0.04 0.93 0.59 2hcbB1 LEU 236 HD23 -0.30 -0.03 -0.02 -0.04 0.89 0.50 2hcbB1 VAL 237 H 0.26 0.68 0.29 -0.55 8.24 8.91 2hcbB1 VAL 237 HA 0.11 0.14 0.99 -0.75 4.13 4.63 2hcbB1 VAL 237 HB 0.05 -0.03 -0.03 -0.04 2.12 2.07 2hcbB1 VAL 237 HG13 0.05 -0.00 -0.22 -0.04 0.97 0.76 2hcbB1 VAL 237 HG23 0.08 -0.01 -0.01 -0.04 0.95 0.98 2hcbB1 GLU 238 H 0.03 0.14 0.15 -0.55 8.60 8.38 2hcbB1 GLU 238 HA -0.73 0.40 1.00 -0.75 4.29 4.20 2hcbB1 GLU 238 HB2 -0.21 -0.00 0.05 -0.04 2.09 1.90 2hcbB1 GLU 238 HB3 -0.12 -0.03 0.05 -0.04 1.99 1.84 2hcbB1 GLU 238 HG2 -0.29 -0.06 -0.07 -0.04 2.34 1.88 2hcbB1 GLU 238 HG3 -0.98 0.07 0.03 -0.04 2.34 1.42 2hcbB1 ILE 239 H -0.25 0.37 0.25 -0.55 8.25 8.07 2hcbB1 ILE 239 HA -0.03 0.31 0.95 -0.75 4.18 4.65 2hcbB1 ILE 239 HB -0.04 -0.13 0.21 -0.04 1.89 1.89 2hcbB1 ILE 239 HG12 0.03 0.01 -0.05 -0.04 1.49 1.44 2hcbB1 ILE 239 HG13 -0.05 -0.01 -0.43 -0.04 1.21 0.68 2hcbB1 ILE 239 HG23 0.04 -0.00 -0.02 -0.04 0.93 0.91 2hcbB1 ILE 239 HD13 0.04 -0.01 -0.19 -0.04 0.88 0.67 2hcbB1 GLU 240 H -0.03 0.30 0.10 -0.55 8.60 8.43 2hcbB1 GLU 240 HA -0.03 0.13 0.98 -0.75 4.29 4.62 2hcbB1 GLU 240 HB2 -0.03 -0.01 0.03 -0.04 2.09 2.03 2hcbB1 GLU 240 HB3 -0.01 -0.00 0.20 -0.04 1.99 2.13 2hcbB1 GLU 240 HG2 -0.00 -0.06 -0.18 -0.04 2.34 2.06 2hcbB1 GLU 240 HG3 -0.00 0.05 -0.03 -0.04 2.34 2.32 2hcbB1 LEU 241 H -0.01 0.23 0.12 -0.55 8.37 8.17 2hcbB1 LEU 241 HA -0.01 -0.04 0.69 -0.75 4.35 4.23 2hcbB1 LEU 241 HB2 -0.00 0.12 0.26 -0.04 1.64 1.97 2hcbB1 LEU 241 HB3 -0.01 -0.00 0.06 -0.04 1.64 1.65 2hcbB1 LEU 241 HG -0.01 -0.04 -0.09 -0.04 1.64 1.45 2hcbB1 LEU 241 HD13 -0.00 0.01 0.15 -0.04 0.93 1.04 2hcbB1 LEU 241 HD23 -0.03 0.00 -0.08 -0.04 0.89 0.74 2hcbB1 ASP 242 H 0.00 0.04 0.07 -0.55 8.40 7.96 2hcbB1 ASP 242 HA 0.01 0.36 0.95 -0.75 4.63 5.19 2hcbB1 ASP 242 HB2 0.00 0.08 0.04 -0.04 2.71 2.79 2hcbB1 ASP 242 HB3 0.00 -0.44 0.28 -0.04 2.70 2.50 2hcbB1 ASN 243 H 0.01 0.13 0.16 -0.55 8.53 8.28 2hcbB1 ASN 243 HA 0.03 0.28 0.54 -0.75 4.76 4.86 2hcbB1 ASN 243 HB2 0.00 -0.20 0.28 -0.04 2.88 2.92 2hcbB1 ASN 243 HB3 0.02 0.11 0.11 -0.04 2.79 2.98 2hcbB1 ASN 243 HD21 -0.00 0.08 0.07 -0.04 7.03 7.13 2hcbB1 ASN 243 HD22 -0.01 -0.03 0.10 -0.04 7.74 7.77 2hcbB1 LYS 244 H -0.00 0.18 0.15 -0.55 8.42 8.19 2hcbB1 LYS 244 HA -0.01 0.11 0.25 -0.75 4.32 3.93 2hcbB1 LYS 244 HB2 -0.06 0.04 0.16 -0.04 1.87 1.96 2hcbB1 LYS 244 HB3 -0.08 0.07 0.13 -0.04 1.79 1.88 2hcbB1 LYS 244 HG2 -0.02 -0.04 0.13 -0.04 1.46 1.49 2hcbB1 LYS 244 HG3 -0.02 -0.02 -0.05 -0.04 1.46 1.33 2hcbB1 LYS 244 HD2 -0.04 0.01 0.04 -0.04 1.69 1.66 2hcbB1 LYS 244 HD3 -0.04 0.05 0.06 -0.04 1.68 1.70 2hcbB1 LYS 244 HE2 -0.02 0.03 0.05 -0.04 2.99 3.01 2hcbB1 LYS 244 HE3 -0.01 -0.01 0.04 -0.04 2.99 2.96 2hcbB1 THR 245 H 0.02 -0.05 -1.18 -0.55 8.28 6.52 2hcbB1 THR 245 HA 0.01 0.04 0.52 -0.75 4.39 4.20 2hcbB1 THR 245 HB 0.00 0.01 -0.01 -0.04 4.32 4.28 2hcbB1 THR 245 HG23 -0.01 0.00 -0.23 -0.04 1.22 0.94 2hcbB1 ARG 246 H 0.02 0.35 -0.08 -0.55 8.46 8.20 2hcbB1 ARG 246 HA -0.01 -0.04 0.27 -0.75 4.34 3.80 2hcbB1 ARG 246 HB2 0.02 0.15 0.13 -0.04 1.90 2.16 2hcbB1 ARG 246 HB3 -0.01 0.01 -0.01 -0.04 1.80 1.74 2hcbB1 ARG 246 HG2 -0.01 -0.12 0.00 -0.04 1.67 1.51 2hcbB1 ARG 246 HG3 0.00 -0.06 0.00 -0.04 1.67 1.58 2hcbB1 ARG 246 HD2 -0.01 -0.01 -0.03 -0.04 3.22 3.14 2hcbB1 ARG 246 HD3 0.00 0.07 0.12 -0.04 3.22 3.36 2hcbB1 PHE 247 H 0.16 0.43 -0.29 -0.55 8.34 8.09 2hcbB1 PHE 247 HA -0.02 0.05 0.26 -0.75 4.62 4.15 2hcbB1 PHE 247 HB2 -0.02 0.06 -0.02 -0.04 3.15 3.13 2hcbB1 PHE 247 HB3 -0.02 0.04 -0.07 -0.04 3.06 2.97 2hcbB1 PHE 247 HD2 -0.02 0.02 -0.24 -0.04 7.28 7.01 2hcbB1 PHE 247 HE2 -0.01 0.02 -0.06 -0.04 7.38 7.29 2hcbB1 PHE 247 HZ -0.01 0.01 -0.04 -0.04 7.32 7.24 2hcbB1 LYS 248 H 0.16 0.36 -0.40 -0.55 8.42 7.99 2hcbB1 LYS 248 HA 0.13 0.03 0.38 -0.75 4.32 4.12 2hcbB1 LYS 248 HB2 0.02 0.11 0.08 -0.04 1.87 2.03 2hcbB1 LYS 248 HB3 -0.00 -0.01 -0.06 -0.04 1.79 1.68 2hcbB1 LYS 248 HG2 0.06 0.00 0.04 -0.04 1.46 1.51 2hcbB1 LYS 248 HG3 0.12 -0.04 0.03 -0.04 1.46 1.53 2hcbB1 LYS 248 HD2 0.00 -0.07 0.15 -0.04 1.69 1.73 2hcbB1 LYS 248 HD3 -0.01 0.09 0.13 -0.04 1.68 1.86 2hcbB1 LYS 248 HE2 -0.02 -0.00 0.07 -0.04 2.99 3.00 2hcbB1 LYS 248 HE3 -0.01 0.07 0.11 -0.04 2.99 3.12 2hcbB1 ILE 249 H -0.02 0.22 -0.11 -0.55 8.25 7.79 2hcbB1 ILE 249 HA -0.09 -0.01 0.32 -0.75 4.18 3.65 2hcbB1 ILE 249 HB -0.05 0.06 0.11 -0.04 1.89 1.96 2hcbB1 ILE 249 HG12 -0.15 -0.02 -0.05 -0.04 1.49 1.22 2hcbB1 ILE 249 HG13 -0.19 -0.01 -0.06 -0.04 1.21 0.92 2hcbB1 ILE 249 HG23 -0.07 -0.01 -0.11 -0.04 0.93 0.70 2hcbB1 ILE 249 HD13 -0.09 -0.04 -0.22 -0.04 0.88 0.49 2hcbB1 ILE 250 H -0.07 0.76 -0.30 -0.55 8.25 8.10 2hcbB1 ILE 250 HA -0.05 0.04 0.46 -0.75 4.18 3.88 2hcbB1 ILE 250 HB -0.27 0.07 0.06 -0.04 1.89 1.72 2hcbB1 ILE 250 HG12 -0.08 0.37 -0.34 -0.04 1.49 1.40 2hcbB1 ILE 250 HG13 -0.12 -0.03 -0.23 -0.04 1.21 0.80 2hcbB1 ILE 250 HG23 -0.09 -0.01 -0.11 -0.04 0.93 0.68 2hcbB1 ILE 250 HD13 -0.03 -0.01 -0.14 -0.04 0.88 0.66 2hcbB1 LYS 251 H -0.16 0.74 0.09 -0.55 8.42 8.53 2hcbB1 LYS 251 HA -0.11 -0.00 0.23 -0.75 4.32 3.68 2hcbB1 LYS 251 HB2 -0.29 0.04 0.11 -0.04 1.87 1.69 2hcbB1 LYS 251 HB3 0.00 0.02 0.05 -0.04 1.79 1.82 2hcbB1 LYS 251 HG2 -0.01 0.02 0.12 -0.04 1.46 1.54 2hcbB1 LYS 251 HG3 -0.07 -0.03 0.04 -0.04 1.46 1.36 2hcbB1 LYS 251 HD2 0.11 -0.00 0.01 -0.04 1.69 1.76 2hcbB1 LYS 251 HD3 0.33 -0.04 -0.03 -0.04 1.68 1.91 2hcbB1 LYS 251 HE2 0.08 0.03 -0.07 -0.04 2.99 2.99 2hcbB1 LYS 251 HE3 0.05 0.00 -0.02 -0.04 2.99 2.98 2hcbB1 GLU 252 H -0.05 0.45 -0.45 -0.55 8.60 8.01 2hcbB1 GLU 252 HA -0.03 0.12 0.83 -0.75 4.29 4.46 2hcbB1 GLU 252 HB2 -0.05 0.06 0.02 -0.04 2.09 2.07 2hcbB1 GLU 252 HB3 -0.05 -0.03 -0.03 -0.04 1.99 1.84 2hcbB1 GLU 252 HG2 -0.01 0.03 -0.06 -0.04 2.34 2.25 2hcbB1 GLU 252 HG3 -0.04 -0.08 -0.07 -0.04 2.34 2.10 2hcbB1 LYS 253 H -0.04 0.45 -0.13 -0.55 8.42 8.15 2hcbB1 LYS 253 HA -0.05 0.06 0.40 -0.75 4.32 3.98 2hcbB1 LYS 253 HB2 -0.01 0.21 0.20 -0.04 1.87 2.23 2hcbB1 LYS 253 HB3 0.02 -0.08 0.09 -0.04 1.79 1.78 2hcbB1 LYS 253 HG2 -0.05 -0.03 0.07 -0.04 1.46 1.41 2hcbB1 LYS 253 HG3 -0.02 -0.07 0.01 -0.04 1.46 1.34 2hcbB1 LYS 253 HD2 0.01 -0.05 0.02 -0.04 1.69 1.63 2hcbB1 LYS 253 HD3 -0.03 0.02 0.04 -0.04 1.68 1.67 2hcbB1 LYS 253 HE2 -0.06 -0.02 0.00 -0.04 2.99 2.88 2hcbB1 LYS 253 HE3 0.01 -0.09 -0.01 -0.04 2.99 2.85 2hcbB1 LEU 254 H -0.01 0.21 -0.68 -0.55 8.37 7.34 2hcbB1 LEU 254 HA 0.12 0.12 0.52 -0.75 4.35 4.36 2hcbB1 LEU 254 HB2 -0.01 0.12 -0.17 -0.04 1.64 1.54 2hcbB1 LEU 254 HB3 0.03 -0.18 -0.43 -0.04 1.64 1.02 2hcbB1 LEU 254 HG 0.00 0.23 -0.10 -0.04 1.64 1.73 2hcbB1 LEU 254 HD13 -0.06 -0.00 -0.20 -0.04 0.93 0.63 2hcbB1 LEU 254 HD23 0.05 -0.02 -0.10 -0.04 0.89 0.78 2hcbB1 LYS 255 H -0.01 0.30 -0.16 -0.55 8.42 8.00 2hcbB1 LYS 255 HA 0.00 -0.03 0.42 -0.75 4.32 3.96 2hcbB1 LYS 255 HB2 -0.03 0.11 -0.02 -0.04 1.87 1.89 2hcbB1 LYS 255 HB3 -0.02 0.01 0.10 -0.04 1.79 1.84 2hcbB1 LYS 255 HG2 -0.01 -0.10 0.08 -0.04 1.46 1.39 2hcbB1 LYS 255 HG3 -0.01 0.05 0.13 -0.04 1.46 1.59 2hcbB1 LYS 255 HD2 -0.02 0.03 0.07 -0.04 1.69 1.73 2hcbB1 LYS 255 HD3 -0.01 -0.04 0.04 -0.04 1.68 1.63 2hcbB1 LYS 255 HE2 -0.00 -0.03 0.07 -0.04 2.99 2.99 2hcbB1 LYS 255 HE3 -0.01 0.26 0.14 -0.04 2.99 3.34 2hcbB1 GLU 256 H -0.09 0.09 -0.71 -0.55 8.60 7.35 2hcbB1 GLU 256 HA -0.20 0.03 0.44 -0.75 4.29 3.81 2hcbB1 GLU 256 HB2 -0.18 -0.04 0.04 -0.04 2.09 1.86 2hcbB1 GLU 256 HB3 -0.35 0.28 -0.00 -0.04 1.99 1.88 2hcbB1 GLU 256 HG2 -0.98 -0.01 -0.14 -0.04 2.34 1.16 2hcbB1 GLU 256 HG3 -0.32 -0.02 0.04 -0.04 2.34 2.00 2hcbB1 PHE 257 H -0.02 0.27 -0.50 -0.55 8.34 7.53 2hcbB1 PHE 257 HA -0.00 0.18 0.73 -0.75 4.62 4.78 2hcbB1 PHE 257 HB2 -0.00 -0.02 0.13 -0.04 3.15 3.22 2hcbB1 PHE 257 HB3 -0.00 -0.05 0.14 -0.04 3.06 3.12 2hcbB1 PHE 257 HD2 0.00 0.02 -0.00 -0.04 7.28 7.25 2hcbB1 PHE 257 HE2 0.01 -0.03 -0.05 -0.04 7.38 7.26 2hcbB1 PHE 257 HZ 0.01 -0.04 -0.04 -0.04 7.32 7.21 2hcbB1 ASN 258 H 0.21 0.12 -0.01 -0.55 8.53 8.30 2hcbB1 ASN 258 HA 0.05 0.13 0.60 -0.75 4.76 4.79 2hcbB1 ASN 258 HB2 0.03 -0.05 0.15 -0.04 2.88 2.97 2hcbB1 ASN 258 HB3 0.05 0.16 -0.01 -0.04 2.79 2.95 2hcbB1 ASN 258 HD21 0.02 0.01 0.05 -0.04 7.03 7.06 2hcbB1 ASN 258 HD22 0.02 -0.02 0.08 -0.04 7.74 7.78 2hcbB1 LEU 259 H 0.06 0.35 -0.08 -0.55 8.37 8.15 2hcbB1 LEU 259 HA 0.01 0.15 0.74 -0.75 4.35 4.49 2hcbB1 LEU 259 HB2 0.06 0.00 -0.17 -0.04 1.64 1.50 2hcbB1 LEU 259 HB3 0.04 0.02 0.06 -0.04 1.64 1.72 2hcbB1 LEU 259 HG -0.03 -0.11 0.13 -0.04 1.64 1.59 2hcbB1 LEU 259 HD13 -0.01 0.02 0.06 -0.04 0.93 0.96 2hcbB1 LEU 259 HD23 0.01 0.01 -0.03 -0.04 0.89 0.83 2hcbB1 GLU 260 H 0.01 0.19 -0.08 -0.55 8.60 8.17 2hcbB1 GLU 260 HA -0.01 0.04 -0.03 -0.75 4.29 3.55 2hcbB1 GLU 260 HB2 -0.00 0.07 0.07 -0.04 2.09 2.19 2hcbB1 GLU 260 HB3 0.00 0.02 0.02 -0.04 1.99 1.99 2hcbB1 GLU 260 HG2 0.01 -0.10 -0.02 -0.04 2.34 2.19 2hcbB1 GLU 260 HG3 -0.00 0.01 -0.11 -0.04 2.34 2.20 2hcbB1 LEU 261 H -0.03 0.09 -0.37 -0.55 8.37 7.52 2hcbB1 LEU 261 HA -0.02 0.29 0.69 -0.75 4.35 4.55 2hcbB1 LEU 261 HB2 -0.01 -0.06 -0.13 -0.04 1.64 1.39 2hcbB1 LEU 261 HB3 -0.02 -0.00 -0.15 -0.04 1.64 1.43 2hcbB1 LEU 261 HG -0.00 0.04 -0.16 -0.04 1.64 1.47 2hcbB1 LEU 261 HD13 -0.01 0.00 -0.06 -0.04 0.93 0.83 2hcbB1 LEU 261 HD23 -0.00 0.01 0.05 -0.04 0.89 0.91 2hcbB1 ARG 262 H -0.06 0.12 0.09 -0.55 8.46 8.05 2hcbB1 ARG 262 HA -0.05 0.17 0.59 -0.75 4.34 4.29 2hcbB1 ARG 262 HB2 -0.12 -0.07 0.01 -0.04 1.90 1.69 2hcbB1 ARG 262 HB3 -0.07 0.09 0.05 -0.04 1.80 1.83 2hcbB1 ARG 262 HG2 -0.10 0.05 0.18 -0.04 1.67 1.76 2hcbB1 ARG 262 HG3 -0.20 -0.17 0.11 -0.04 1.67 1.36 2hcbB1 ARG 262 HD2 -0.07 0.05 0.03 -0.04 3.22 3.19 2hcbB1 ARG 262 HD3 -0.08 0.06 0.06 -0.04 3.22 3.22 2hcbB1 LYS 263 H -0.05 0.24 0.22 -0.55 8.42 8.28 2hcbB1 LYS 263 HA -0.04 0.08 0.21 -0.75 4.32 3.82 2hcbB1 LYS 263 HB2 -0.03 -0.02 0.13 -0.04 1.87 1.92 2hcbB1 LYS 263 HB3 -0.01 0.04 -0.00 -0.04 1.79 1.78 2hcbB1 LYS 263 HG2 0.02 0.03 0.05 -0.04 1.46 1.51 2hcbB1 LYS 263 HG3 0.00 0.04 0.08 -0.04 1.46 1.54 2hcbB1 LYS 263 HD2 -0.01 0.07 0.11 -0.04 1.69 1.83 2hcbB1 LYS 263 HD3 -0.01 -0.04 0.09 -0.04 1.68 1.68 2hcbB1 LYS 263 HE2 0.01 -0.00 0.02 -0.04 2.99 2.99 2hcbB1 LYS 263 HE3 0.01 0.03 0.03 -0.04 2.99 3.03 2hcbB1 GLU 264 H -0.12 0.06 -0.25 -0.55 8.60 7.75 2hcbB1 GLU 264 HA -0.05 0.11 0.32 -0.75 4.29 3.92 2hcbB1 GLU 264 HB2 -0.22 0.07 -0.07 -0.04 2.09 1.84 2hcbB1 GLU 264 HB3 -0.10 0.03 0.04 -0.04 1.99 1.93 2hcbB1 GLU 264 HG2 -0.18 -0.04 -0.03 -0.04 2.34 2.04 2hcbB1 GLU 264 HG3 -0.44 -0.17 -0.02 -0.04 2.34 1.67 2hcbB1 VAL 265 H -0.33 0.20 -0.17 -0.55 8.24 7.39 2hcbB1 VAL 265 HA -0.60 0.07 0.39 -0.75 4.13 3.24 2hcbB1 VAL 265 HB -0.19 0.12 0.16 -0.04 2.12 2.17 2hcbB1 VAL 265 HG13 -0.01 0.01 -0.13 -0.04 0.97 0.80 2hcbB1 VAL 265 HG23 -0.52 -0.02 0.03 -0.04 0.95 0.40 2hcbB1 ILE 266 H -0.11 0.33 -0.12 -0.55 8.25 7.80 2hcbB1 ILE 266 HA -0.06 0.04 0.24 -0.75 4.18 3.64 2hcbB1 ILE 266 HB -0.16 0.03 -0.06 -0.04 1.89 1.66 2hcbB1 ILE 266 HG12 -0.24 0.02 -0.25 -0.04 1.49 0.98 2hcbB1 ILE 266 HG13 -0.27 -0.04 -0.10 -0.04 1.21 0.76 2hcbB1 ILE 266 HG23 -0.10 0.07 -0.05 -0.04 0.93 0.80 2hcbB1 ILE 266 HD13 -0.85 -0.00 -0.08 -0.04 0.88 -0.09 2hcbB1 ASP 267 H -0.02 0.63 -0.12 -0.55 8.40 8.33 2hcbB1 ASP 267 HA 0.01 -0.01 0.30 -0.75 4.63 4.18 2hcbB1 ASP 267 HB2 0.02 -0.02 0.09 -0.04 2.71 2.76 2hcbB1 ASP 267 HB3 0.04 0.07 0.04 -0.04 2.70 2.81 2hcbB1 TYR 268 H 0.18 0.36 -0.52 -0.55 8.29 7.77 2hcbB1 TYR 268 HA 0.07 0.11 0.75 -0.75 4.56 4.74 2hcbB1 TYR 268 HB2 0.30 0.00 0.07 -0.04 3.06 3.39 2hcbB1 TYR 268 HB3 0.31 0.12 0.15 -0.04 2.98 3.53 2hcbB1 TYR 268 HD2 0.09 -0.01 -0.20 -0.04 7.15 7.00 2hcbB1 TYR 268 HE2 -0.01 -0.01 -0.10 -0.04 6.85 6.69 2hcbB1 LEU 269 H 0.20 0.53 0.06 -0.55 8.37 8.61 2hcbB1 LEU 269 HA 0.04 0.02 0.40 -0.75 4.35 4.05 2hcbB1 LEU 269 HB2 0.03 0.05 0.04 -0.04 1.64 1.72 2hcbB1 LEU 269 HB3 0.04 -0.06 0.08 -0.04 1.64 1.66 2hcbB1 LEU 269 HG 0.22 0.13 -0.04 -0.04 1.64 1.92 2hcbB1 LEU 269 HD13 0.06 -0.01 -0.06 -0.04 0.93 0.88 2hcbB1 LEU 269 HD23 0.26 -0.02 -0.09 -0.04 0.89 1.00 2hcbB1 LEU 270 H -0.02 0.19 -0.70 -0.55 8.37 7.29 2hcbB1 LEU 270 HA -0.03 0.10 0.76 -0.75 4.35 4.43 2hcbB1 LEU 270 HB2 -0.01 0.05 0.06 -0.04 1.64 1.69 2hcbB1 LEU 270 HB3 0.00 0.00 -0.07 -0.04 1.64 1.53 2hcbB1 LEU 270 HG -0.08 0.00 -0.14 -0.04 1.64 1.39 2hcbB1 LEU 270 HD13 0.11 -0.03 -0.09 -0.04 0.93 0.88 2hcbB1 LEU 270 HD23 0.04 -0.01 0.01 -0.04 0.89 0.89 2hcbB1 GLU 271 H -0.09 0.34 -0.10 -0.55 8.60 8.20 2hcbB1 GLU 271 HA -0.06 0.18 0.82 -0.75 4.29 4.47 2hcbB1 GLU 271 HB2 -0.06 0.09 0.20 -0.04 2.09 2.28 2hcbB1 GLU 271 HB3 -0.07 0.01 0.26 -0.04 1.99 2.15 2hcbB1 GLU 271 HG2 -0.03 0.01 0.06 -0.04 2.34 2.33 2hcbB1 GLU 271 HG3 -0.02 -0.01 -0.11 -0.04 2.34 2.15 2hcbB1 ASN 272 H -0.13 -0.02 -0.60 -0.55 8.53 7.23 2hcbB1 ASN 272 HA -0.15 0.14 0.57 -0.75 4.76 4.56 2hcbB1 ASN 272 HB2 -0.63 0.26 -0.10 -0.04 2.88 2.37 2hcbB1 ASN 272 HB3 -0.29 -0.13 -0.01 -0.04 2.79 2.32 2hcbB1 ASN 272 HD21 -0.50 -0.05 -0.03 -0.04 7.03 6.41 2hcbB1 ASN 272 HD22 -1.31 0.19 -0.10 -0.04 7.74 6.48 2hcbB1 THR 273 H -0.07 0.18 -0.07 -0.55 8.28 7.77 2hcbB1 THR 273 HA -0.02 0.10 0.98 -0.75 4.39 4.70 2hcbB1 THR 273 HB 0.00 -0.12 -0.11 -0.04 4.32 4.05 2hcbB1 THR 273 HG23 0.01 -0.01 -0.27 -0.04 1.22 0.91 2hcbB1 LYS 274 H 0.00 -0.00 0.14 -0.55 8.42 8.00 2hcbB1 LYS 274 HA -0.00 0.32 1.07 -0.75 4.32 4.95 2hcbB1 LYS 274 HB2 0.01 0.11 0.02 -0.04 1.87 1.97 2hcbB1 LYS 274 HB3 0.02 -0.16 0.17 -0.04 1.79 1.78 2hcbB1 LYS 274 HG2 0.02 -0.10 -0.10 -0.04 1.46 1.23 2hcbB1 LYS 274 HG3 0.01 0.10 0.11 -0.04 1.46 1.64 2hcbB1 LYS 274 HD2 0.02 0.12 0.07 -0.04 1.69 1.86 2hcbB1 LYS 274 HD3 0.03 -0.07 0.06 -0.04 1.68 1.66 2hcbB1 LYS 274 HE2 0.03 -0.12 0.07 -0.04 2.99 2.93 2hcbB1 LYS 274 HE3 0.02 0.06 0.08 -0.04 2.99 3.11 2hcbB1 ASN 275 H 0.02 -0.02 0.17 -0.55 8.53 8.15 2hcbB1 ASN 275 HA 0.01 0.25 0.77 -0.75 4.76 5.03 2hcbB1 ASN 275 HB2 0.03 0.27 0.17 -0.04 2.88 3.30 2hcbB1 ASN 275 HB3 0.03 0.05 0.03 -0.04 2.79 2.87 2hcbB1 ASN 275 HD21 0.04 0.05 0.00 -0.04 7.03 7.08 2hcbB1 ASN 275 HD22 0.04 0.06 -0.01 -0.04 7.74 7.79 2hcbB1 VAL 276 H 0.01 0.50 0.29 -0.55 8.24 8.50 2hcbB1 VAL 276 HA 0.00 0.15 0.48 -0.75 4.13 4.00 2hcbB1 VAL 276 HB 0.02 -0.03 0.05 -0.04 2.12 2.12 2hcbB1 VAL 276 HG13 0.01 0.01 -0.12 -0.04 0.97 0.83 2hcbB1 VAL 276 HG23 -0.05 0.03 0.01 -0.04 0.95 0.90 2hcbB1 ARG 277 H 0.04 0.13 -0.03 -0.55 8.46 8.04 2hcbB1 ARG 277 HA 0.06 0.12 0.44 -0.75 4.34 4.19 2hcbB1 ARG 277 HB2 0.04 -0.07 0.10 -0.04 1.90 1.93 2hcbB1 ARG 277 HB3 0.05 0.10 -0.05 -0.04 1.80 1.85 2hcbB1 ARG 277 HG2 0.06 0.10 0.04 -0.04 1.67 1.82 2hcbB1 ARG 277 HG3 0.05 -0.07 0.06 -0.04 1.67 1.67 2hcbB1 ARG 277 HD2 0.04 -0.09 0.06 -0.04 3.22 3.19 2hcbB1 ARG 277 HD3 0.05 0.09 0.01 -0.04 3.22 3.32 2hcbB1 GLU 278 H 0.03 0.08 -0.25 -0.55 8.60 7.92 2hcbB1 GLU 278 HA 0.04 0.07 0.47 -0.75 4.29 4.12 2hcbB1 GLU 278 HB2 0.02 0.12 0.09 -0.04 2.09 2.28 2hcbB1 GLU 278 HB3 0.03 0.13 0.03 -0.04 1.99 2.13 2hcbB1 GLU 278 HG2 0.03 0.08 0.04 -0.04 2.34 2.45 2hcbB1 GLU 278 HG3 0.03 -0.14 0.05 -0.04 2.34 2.24 2hcbB1 ILE 279 H 0.03 0.26 -0.29 -0.55 8.25 7.70 2hcbB1 ILE 279 HA 0.04 0.06 0.36 -0.75 4.18 3.89 2hcbB1 ILE 279 HB 0.01 0.03 0.13 -0.04 1.89 2.02 2hcbB1 ILE 279 HG12 -0.00 0.08 -0.05 -0.04 1.49 1.48 2hcbB1 ILE 279 HG13 0.01 -0.01 -0.08 -0.04 1.21 1.09 2hcbB1 ILE 279 HG23 0.01 -0.01 -0.17 -0.04 0.93 0.72 2hcbB1 ILE 279 HD13 -0.01 -0.02 -0.23 -0.04 0.88 0.57 2hcbB1 GLU 280 H 0.05 0.46 -0.16 -0.55 8.60 8.40 2hcbB1 GLU 280 HA 0.09 0.15 0.97 -0.75 4.29 4.75 2hcbB1 GLU 280 HB2 0.10 -0.02 0.07 -0.04 2.09 2.21 2hcbB1 GLU 280 HB3 0.08 0.03 0.05 -0.04 1.99 2.10 2hcbB1 GLU 280 HG2 0.06 0.20 0.09 -0.04 2.34 2.64 2hcbB1 GLU 280 HG3 0.07 0.01 -0.02 -0.04 2.34 2.36 2hcbB1 GLY 281 H 0.05 0.39 -0.13 -0.55 8.43 8.20 2hcbB1 GLY 281 HA2 0.05 0.02 0.42 -0.51 4.01 3.99 2hcbB1 GLY 281 HA3 0.04 0.01 0.33 -0.51 4.01 3.88 2hcbB1 LYS 282 H 0.06 0.62 -0.09 -0.55 8.42 8.45 2hcbB1 LYS 282 HA 0.04 0.07 0.55 -0.75 4.32 4.23 2hcbB1 LYS 282 HB2 0.11 0.02 0.03 -0.04 1.87 1.98 2hcbB1 LYS 282 HB3 0.13 -0.03 -0.03 -0.04 1.79 1.81 2hcbB1 LYS 282 HG2 0.07 0.16 0.10 -0.04 1.46 1.75 2hcbB1 LYS 282 HG3 0.11 0.00 -0.08 -0.04 1.46 1.45 2hcbB1 LYS 282 HD2 0.20 -0.02 -0.05 -0.04 1.69 1.78 2hcbB1 LYS 282 HD3 0.09 -0.06 -0.06 -0.04 1.68 1.61 2hcbB1 LYS 282 HE2 0.05 -0.02 -0.17 -0.04 2.99 2.80 2hcbB1 LYS 282 HE3 0.14 0.03 -0.13 -0.04 2.99 2.99 2hcbB1 ILE 283 H 0.07 0.30 -0.24 -0.55 8.25 7.83 2hcbB1 ILE 283 HA 0.04 -0.03 0.15 -0.75 4.18 3.58 2hcbB1 ILE 283 HB 0.15 0.03 0.15 -0.04 1.89 2.17 2hcbB1 ILE 283 HG12 0.08 -0.12 0.00 -0.04 1.49 1.42 2hcbB1 ILE 283 HG13 0.08 0.20 0.18 -0.04 1.21 1.63 2hcbB1 ILE 283 HG23 0.18 0.01 -0.15 -0.04 0.93 0.94 2hcbB1 ILE 283 HD13 0.08 -0.02 -0.06 -0.04 0.88 0.84 2hcbB1 LYS 284 H 0.05 0.46 -0.20 -0.55 8.42 8.17 2hcbB1 LYS 284 HA -0.32 0.05 0.41 -0.75 4.32 3.71 2hcbB1 LYS 284 HB2 0.09 0.05 0.10 -0.04 1.87 2.06 2hcbB1 LYS 284 HB3 0.01 0.03 0.02 -0.04 1.79 1.80 2hcbB1 LYS 284 HG2 0.03 -0.03 -0.05 -0.04 1.46 1.36 2hcbB1 LYS 284 HG3 -0.07 0.03 -0.07 -0.04 1.46 1.32 2hcbB1 LYS 284 HD2 0.04 -0.00 0.02 -0.04 1.69 1.70 2hcbB1 LYS 284 HD3 0.23 -0.02 -0.00 -0.04 1.68 1.85 2hcbB1 LYS 284 HE2 0.08 -0.03 -0.01 -0.04 2.99 2.98 2hcbB1 LYS 284 HE3 0.01 0.04 0.01 -0.04 2.99 3.01 2hcbB1 LEU 285 H -0.02 0.30 -0.29 -0.55 8.37 7.81 2hcbB1 LEU 285 HA -0.05 -0.00 0.39 -0.75 4.35 3.94 2hcbB1 LEU 285 HB2 -0.01 0.09 0.15 -0.04 1.64 1.83 2hcbB1 LEU 285 HB3 -0.02 0.13 0.17 -0.04 1.64 1.88 2hcbB1 LEU 285 HG -0.05 -0.07 -0.14 -0.04 1.64 1.34 2hcbB1 LEU 285 HD13 -0.03 -0.02 0.04 -0.04 0.93 0.88 2hcbB1 LEU 285 HD23 -0.02 -0.01 -0.02 -0.04 0.89 0.80 2hcbB1 ILE 286 H -0.04 0.76 -0.22 -0.55 8.25 8.20 2hcbB1 ILE 286 HA -0.05 -0.07 0.30 -0.75 4.18 3.61 2hcbB1 ILE 286 HB 0.01 0.15 0.01 -0.04 1.89 2.01 2hcbB1 ILE 286 HG12 -0.00 -0.11 -0.09 -0.04 1.49 1.25 2hcbB1 ILE 286 HG13 -0.04 0.05 -0.13 -0.04 1.21 1.05 2hcbB1 ILE 286 HG23 0.06 -0.05 -0.18 -0.04 0.93 0.72 2hcbB1 ILE 286 HD13 0.13 -0.01 -0.16 -0.04 0.88 0.80 2hcbB1 LYS 287 H -0.17 0.74 -0.11 -0.55 8.42 8.33 2hcbB1 LYS 287 HA -0.13 -0.02 0.63 -0.75 4.32 4.05 2hcbB1 LYS 287 HB2 -0.37 -0.10 0.08 -0.04 1.87 1.44 2hcbB1 LYS 287 HB3 -0.64 0.08 0.20 -0.04 1.79 1.39 2hcbB1 LYS 287 HG2 -0.71 -0.05 0.07 -0.04 1.46 0.73 2hcbB1 LYS 287 HG3 -0.34 0.05 0.17 -0.04 1.46 1.30 2hcbB1 LYS 287 HD2 -0.12 0.03 -0.01 -0.04 1.69 1.56 2hcbB1 LYS 287 HD3 -0.10 -0.09 0.02 -0.04 1.68 1.47 2hcbB1 LYS 287 HE2 -0.00 -0.02 0.01 -0.04 2.99 2.93 2hcbB1 LYS 287 HE3 -0.07 0.03 -0.01 -0.04 2.99 2.90 2hcbB1 LEU 288 H -0.08 0.15 -0.50 -0.55 8.37 7.40 2hcbB1 LEU 288 HA -0.07 0.04 0.48 -0.75 4.35 4.05 2hcbB1 LEU 288 HB2 -0.09 0.35 -0.47 -0.04 1.64 1.39 2hcbB1 LEU 288 HB3 -0.06 -0.15 0.10 -0.04 1.64 1.50 2hcbB1 LEU 288 HG -0.04 -0.06 -0.06 -0.04 1.64 1.44 2hcbB1 LEU 288 HD13 -0.05 -0.00 0.09 -0.04 0.93 0.93 2hcbB1 LEU 288 HD23 -0.04 -0.02 -0.05 -0.04 0.89 0.74 2hcbB1 LYS 289 H -0.05 0.52 0.18 -0.55 8.42 8.51 2hcbB1 LYS 289 HA -0.04 0.06 0.70 -0.75 4.32 4.29 2hcbB1 LYS 289 HB2 -0.06 0.09 0.11 -0.04 1.87 1.97 2hcbB1 LYS 289 HB3 -0.06 -0.10 0.07 -0.04 1.79 1.66 2hcbB1 LYS 289 HG2 -0.04 -0.00 0.07 -0.04 1.46 1.45 2hcbB1 LYS 289 HG3 -0.04 0.06 0.08 -0.04 1.46 1.51 2hcbB1 LYS 289 HD2 -0.06 -0.02 -0.06 -0.04 1.69 1.52 2hcbB1 LYS 289 HD3 -0.06 -0.05 -0.03 -0.04 1.68 1.51 2hcbB1 LYS 289 HE2 -0.03 -0.00 0.00 -0.04 2.99 2.92 2hcbB1 LYS 289 HE3 -0.03 0.02 0.00 -0.04 2.99 2.94 2hcbB1 GLY 290 H -0.05 0.21 -0.02 -0.55 8.43 8.03 2hcbB1 GLY 290 HA2 -0.01 0.13 0.48 -0.51 4.01 4.10 2hcbB1 GLY 290 HA3 -0.01 0.14 0.77 -0.51 4.01 4.40 2hcbB1 PHE 291 H 0.13 0.19 0.15 -0.55 8.34 8.25 2hcbB1 PHE 291 HA -0.12 0.07 0.16 -0.75 4.62 3.98 2hcbB1 PHE 291 HB2 -0.08 0.04 0.09 -0.04 3.15 3.16 2hcbB1 PHE 291 HB3 -0.07 -0.01 0.10 -0.04 3.06 3.04 2hcbB1 PHE 291 HD2 -0.10 -0.01 -0.14 -0.04 7.28 6.99 2hcbB1 PHE 291 HE2 -0.12 0.05 -0.09 -0.04 7.38 7.18 2hcbB1 PHE 291 HZ -0.05 0.10 -0.12 -0.04 7.32 7.21 2hcbB1 GLU 292 H 0.04 0.12 -0.24 -0.55 8.60 7.98 2hcbB1 GLU 292 HA -0.21 0.09 0.30 -0.75 4.29 3.71 2hcbB1 GLU 292 HB2 -0.01 0.05 -0.00 -0.04 2.09 2.09 2hcbB1 GLU 292 HB3 -0.03 0.05 0.01 -0.04 1.99 1.98 2hcbB1 GLU 292 HG2 0.05 0.06 -0.01 -0.04 2.34 2.40 2hcbB1 GLU 292 HG3 0.12 0.02 -0.03 -0.04 2.34 2.42 2hcbB1 GLY 293 H -0.11 0.44 -0.33 -0.55 8.43 7.89 2hcbB1 GLY 293 HA2 -0.09 0.04 0.48 -0.51 4.01 3.93 2hcbB1 GLY 293 HA3 -0.10 0.16 0.25 -0.51 4.01 3.81 2hcbB1 LEU 294 H -0.29 0.38 -0.29 -0.55 8.37 7.62 2hcbB1 LEU 294 HA -0.17 -0.00 0.53 -0.75 4.35 3.95 2hcbB1 LEU 294 HB2 -0.41 0.11 0.01 -0.04 1.64 1.30 2hcbB1 LEU 294 HB3 -0.30 0.00 0.10 -0.04 1.64 1.40 2hcbB1 LEU 294 HG -0.13 -0.01 -0.16 -0.04 1.64 1.29 2hcbB1 LEU 294 HD13 -0.08 -0.01 -0.15 -0.04 0.93 0.64 2hcbB1 LEU 294 HD23 -0.07 -0.00 -0.05 -0.04 0.89 0.73 2hcbB1 GLU 295 H -0.33 0.30 -0.64 -0.55 8.60 7.38 2hcbB1 GLU 295 HA -0.30 0.20 0.76 -0.75 4.29 4.21 2hcbB1 GLU 295 HB2 -0.34 0.01 0.07 -0.04 2.09 1.78 2hcbB1 GLU 295 HB3 -0.15 0.01 -0.05 -0.04 1.99 1.76 2hcbB1 GLU 295 HG2 -0.24 0.05 -0.01 -0.04 2.34 2.11 2hcbB1 GLU 295 HG3 -1.03 0.01 -0.15 -0.04 2.34 1.13 2hcbB1 ARG 296 H -0.14 0.25 -0.11 -0.55 8.46 7.90 2hcbB1 ARG 296 HA -0.05 0.21 0.76 -0.75 4.34 4.50 2hcbB1 ARG 296 HB2 -0.07 0.07 0.11 -0.04 1.90 1.97 2hcbB1 ARG 296 HB3 -0.06 0.01 0.17 -0.04 1.80 1.87 2hcbB1 ARG 296 HG2 -0.03 -0.03 -0.04 -0.04 1.67 1.52 2hcbB1 ARG 296 HG3 -0.03 0.02 0.02 -0.04 1.67 1.63 2hcbB1 ARG 296 HD2 -0.04 0.01 0.01 -0.04 3.22 3.17 2hcbB1 ARG 296 HD3 -0.03 -0.02 -0.03 -0.04 3.22 3.10 2hcbB1 LYS 297 H -0.08 0.42 0.15 -0.55 8.42 8.36 2hcbB1 LYS 297 HA -0.04 0.07 0.40 -0.75 4.32 4.00 2hcbB1 LYS 297 HB2 -0.05 0.06 0.14 -0.04 1.87 1.98 2hcbB1 LYS 297 HB3 -0.07 0.02 0.17 -0.04 1.79 1.88 2hcbB1 LYS 297 HG2 -0.03 0.02 -0.03 -0.04 1.46 1.38 2hcbB1 LYS 297 HG3 -0.03 0.00 -0.26 -0.04 1.46 1.13 2hcbB1 LYS 297 HD2 -0.02 -0.06 0.09 -0.04 1.69 1.65 2hcbB1 LYS 297 HD3 -0.03 0.03 0.03 -0.04 1.68 1.67 2hcbB1 LYS 297 HE2 -0.02 0.02 -0.02 -0.04 2.99 2.93 2hcbB1 LYS 297 HE3 -0.01 -0.02 -0.04 -0.04 2.99 2.88 2hcbB1 GLU 298 H -0.07 0.20 -0.25 -0.55 8.60 7.93 2hcbB1 GLU 298 HA 0.01 0.05 0.43 -0.75 4.29 4.03 2hcbB1 GLU 298 HB2 -0.01 0.45 0.09 -0.04 2.09 2.58 2hcbB1 GLU 298 HB3 0.13 0.01 0.13 -0.04 1.99 2.22 2hcbB1 GLU 298 HG2 -0.04 -0.12 0.04 -0.04 2.34 2.18 2hcbB1 GLU 298 HG3 0.05 0.02 0.03 -0.04 2.34 2.40 2hcbB1 ARG 299 H -0.03 0.14 -1.21 -0.55 8.46 6.81 2hcbB1 ARG 299 HA 0.02 0.18 0.79 -0.75 4.34 4.58 2hcbB1 ARG 299 HB2 -0.01 -0.08 -0.15 -0.04 1.90 1.62 2hcbB1 ARG 299 HB3 -0.02 0.16 0.05 -0.04 1.80 1.95 2hcbB1 ARG 299 HG2 0.01 -0.02 0.06 -0.04 1.67 1.68 2hcbB1 ARG 299 HG3 0.01 -0.07 0.13 -0.04 1.67 1.71 2hcbB1 ARG 299 HD2 0.04 0.04 0.07 -0.04 3.22 3.33 2hcbB1 ARG 299 HD3 0.07 -0.01 -0.01 -0.04 3.22 3.24 2hcbB1 LYS 300 H -0.01 0.22 -0.08 -0.55 8.42 7.99 2hcbB1 LYS 300 HA -0.01 0.22 0.97 -0.75 4.32 4.75 2hcbB1 LYS 300 HB2 -0.02 0.16 0.18 -0.04 1.87 2.14 2hcbB1 LYS 300 HB3 -0.02 -0.04 -0.00 -0.04 1.79 1.69 2hcbB1 LYS 300 HG2 -0.02 0.04 -0.04 -0.04 1.46 1.40 2hcbB1 LYS 300 HG3 -0.02 -0.06 -0.03 -0.04 1.46 1.31 2hcbB1 LYS 300 HD2 -0.02 -0.01 -0.01 -0.04 1.69 1.61 2hcbB1 LYS 300 HD3 -0.01 -0.01 0.09 -0.04 1.68 1.70 2hcbB1 LYS 300 HE2 -0.01 0.02 0.00 -0.04 2.99 2.95 2hcbB1 LYS 300 HE3 -0.02 -0.03 -0.01 -0.04 2.99 2.90 2hcbB1 GLU 301 H -0.01 0.38 0.19 -0.55 8.60 8.61 2hcbB1 GLU 301 HA -0.01 0.15 0.65 -0.75 4.29 4.33 2hcbB1 GLU 301 HB2 -0.01 0.02 0.15 -0.04 2.09 2.21 2hcbB1 GLU 301 HB3 -0.01 0.03 0.03 -0.04 1.99 2.01 2hcbB1 GLU 301 HG2 -0.01 -0.01 0.15 -0.04 2.34 2.43 2hcbB1 GLU 301 HG3 -0.01 0.04 0.09 -0.04 2.34 2.42 2hcbB1 ARG 302 H 0.00 0.12 -0.49 -0.55 8.46 7.54 2hcbB1 ARG 302 HA 0.01 0.15 0.72 -0.75 4.34 4.46 2hcbB1 ARG 302 HB2 0.02 0.14 -0.12 -0.04 1.90 1.90 2hcbB1 ARG 302 HB3 0.01 0.03 0.07 -0.04 1.80 1.88 2hcbB1 ARG 302 HG2 0.01 -0.01 -0.05 -0.04 1.67 1.57 2hcbB1 ARG 302 HG3 0.01 -0.11 -0.13 -0.04 1.67 1.41 2hcbB1 ARG 302 HD2 0.03 0.29 0.09 -0.04 3.22 3.59 2hcbB1 ARG 302 HD3 0.01 0.01 0.03 -0.04 3.22 3.23 2hcbB1 ASP 303 H -0.00 0.30 -0.68 -0.55 8.40 7.48 2hcbB1 ASP 303 HA 0.01 0.14 0.82 -0.75 4.63 4.84 2hcbB1 ASP 303 HB2 -0.00 0.18 0.18 -0.04 2.71 3.03 2hcbB1 ASP 303 HB3 -0.00 -0.03 0.10 -0.04 2.70 2.73 2hcbB1 LYS 304 H -0.01 0.17 -0.11 -0.55 8.42 7.93 2hcbB1 LYS 304 HA -0.01 0.19 0.67 -0.75 4.32 4.42 2hcbB1 LYS 304 HB2 -0.02 0.03 0.14 -0.04 1.87 1.98 2hcbB1 LYS 304 HB3 -0.01 0.04 -0.00 -0.04 1.79 1.78 2hcbB1 LYS 304 HG2 -0.02 -0.07 0.00 -0.04 1.46 1.33 2hcbB1 LYS 304 HG3 -0.03 0.06 0.10 -0.04 1.46 1.55 2hcbB1 LYS 304 HD2 -0.03 -0.01 0.04 -0.04 1.69 1.64 2hcbB1 LYS 304 HD3 -0.03 0.03 0.03 -0.04 1.68 1.67 2hcbB1 LYS 304 HE2 -0.04 -0.08 -0.04 -0.04 2.99 2.78 2hcbB1 LYS 304 HE3 -0.06 0.12 0.00 -0.04 2.99 3.01 2hcbB1 LEU 305 H 0.00 0.11 -0.53 -0.55 8.37 7.41 2hcbB1 LEU 305 HA 0.01 0.12 0.67 -0.75 4.35 4.40 2hcbB1 LEU 305 HB2 0.01 0.16 -0.05 -0.04 1.64 1.73 2hcbB1 LEU 305 HB3 0.02 -0.01 0.10 -0.04 1.64 1.71 2hcbB1 LEU 305 HG 0.00 0.06 -0.05 -0.04 1.64 1.62 2hcbB1 LEU 305 HD13 0.01 -0.01 -0.09 -0.04 0.93 0.80 2hcbB1 LEU 305 HD23 0.01 0.01 -0.12 -0.04 0.89 0.75 2hcbB1 MET 306 H 0.01 0.07 -0.85 -0.55 8.47 7.16 2hcbB1 MET 306 HA 0.02 0.04 0.71 -0.75 4.52 4.54 2hcbB1 MET 306 HB2 0.01 -0.03 0.27 -0.04 2.15 2.35 2hcbB1 MET 306 HB3 0.01 0.24 0.16 -0.04 2.03 2.40 2hcbB1 MET 306 HG2 0.01 0.05 0.11 -0.04 2.63 2.77 2hcbB1 MET 306 HG3 0.02 -0.14 0.17 -0.04 2.56 2.56 2hcbB1 MET 306 HE3 0.02 -0.01 0.05 -0.04 2.10 2.12 2hcbB1 GLN 307 H 0.03 0.07 -1.16 -0.55 8.47 6.86 2hcbB1 GLN 307 HA 0.05 0.14 0.56 -0.75 4.36 4.36 2hcbB1 GLN 307 HB2 0.02 0.36 0.09 -0.04 2.15 2.58 2hcbB1 GLN 307 HB3 0.04 0.00 -0.00 -0.04 2.02 2.01 2hcbB1 GLN 307 HG2 0.08 -0.18 0.18 -0.04 2.40 2.43 2hcbB1 GLN 307 HG3 0.04 0.08 0.04 -0.04 2.39 2.51 2hcbB1 GLN 307 HE21 0.04 -0.08 -0.09 -0.04 6.97 6.80 2hcbB1 GLN 307 HE22 0.02 0.04 -0.04 -0.04 7.69 7.68 2hcbB1 ILE 308 H 0.04 0.19 -0.48 -0.55 8.25 7.45 2hcbB1 ILE 308 HA 0.05 0.07 0.71 -0.75 4.18 4.26 2hcbB1 ILE 308 HB 0.03 0.13 0.08 -0.04 1.89 2.09 2hcbB1 ILE 308 HG12 0.03 0.07 -0.03 -0.04 1.49 1.52 2hcbB1 ILE 308 HG13 0.03 -0.05 -0.05 -0.04 1.21 1.10 2hcbB1 ILE 308 HG23 0.02 0.01 -0.02 -0.04 0.93 0.90 2hcbB1 ILE 308 HD13 0.05 0.00 0.00 -0.04 0.88 0.89 2hcbB1 VAL 309 H 0.03 0.16 -0.06 -0.55 8.24 7.82 2hcbB1 VAL 309 HA 0.03 0.06 0.49 -0.75 4.13 3.96 2hcbB1 VAL 309 HB 0.03 -0.05 0.12 -0.04 2.12 2.17 2hcbB1 VAL 309 HG13 0.03 0.08 -0.09 -0.04 0.97 0.95 2hcbB1 VAL 309 HG23 0.02 -0.00 0.07 -0.04 0.95 1.00 2hcbB1 GLU 310 H 0.06 -0.10 -0.89 -0.55 8.60 7.13 2hcbB1 GLU 310 HA 0.09 0.14 0.36 -0.75 4.29 4.12 2hcbB1 GLU 310 HB2 0.07 -0.20 0.15 -0.04 2.09 2.07 2hcbB1 GLU 310 HB3 0.10 -0.01 -0.04 -0.04 1.99 2.00 2hcbB1 GLU 310 HG2 0.04 0.00 -0.01 -0.04 2.34 2.32 2hcbB1 GLU 310 HG3 0.03 0.04 -0.05 -0.04 2.34 2.32 2hcbB1 PHE 311 H 0.16 0.14 -0.03 -0.55 8.34 8.06 2hcbB1 PHE 311 HA 0.04 0.25 0.97 -0.75 4.62 5.13 2hcbB1 PHE 311 HB2 0.01 0.03 -0.33 -0.04 3.15 2.83 2hcbB1 PHE 311 HB3 0.02 -0.00 -0.06 -0.04 3.06 2.97 2hcbB1 PHE 311 HD2 0.01 0.09 -0.02 -0.04 7.28 7.32 2hcbB1 PHE 311 HE2 0.02 0.01 -0.03 -0.04 7.38 7.35 2hcbB1 PHE 311 HZ 0.13 0.01 -0.03 -0.04 7.32 7.39 2hcbB1 VAL 312 H 0.12 0.27 0.22 -0.55 8.24 8.30 2hcbB1 VAL 312 HA 0.05 0.05 0.40 -0.75 4.13 3.87 2hcbB1 VAL 312 HB 0.06 0.07 0.09 -0.04 2.12 2.29 2hcbB1 VAL 312 HG13 0.06 -0.00 0.11 -0.04 0.97 1.09 2hcbB1 VAL 312 HG23 0.09 0.05 0.16 -0.04 0.95 1.21 2hcbB1 ALA 313 H 0.02 0.18 -0.35 -0.55 8.40 7.71 2hcbB1 ALA 313 HA 0.02 0.07 0.44 -0.75 4.34 4.12 2hcbB1 ALA 313 HB3 0.02 0.03 -0.02 -0.04 1.41 1.40 2hcbB1 ASN 314 H -0.14 0.44 -0.49 -0.55 8.53 7.79 2hcbB1 ASN 314 HA -0.08 0.16 0.59 -0.75 4.76 4.68 2hcbB1 ASN 314 HB2 -0.25 0.07 0.06 -0.04 2.88 2.71 2hcbB1 ASN 314 HB3 -0.17 -0.01 0.06 -0.04 2.79 2.63 2hcbB1 ASN 314 HD21 0.04 -0.02 -0.02 -0.04 7.03 6.99 2hcbB1 ASN 314 HD22 0.07 0.01 0.02 -0.04 7.74 7.79 2hcbB1 TYR 315 H -0.07 0.19 -0.15 -0.55 8.29 7.70 2hcbB1 TYR 315 HA -0.19 0.18 0.83 -0.75 4.56 4.63 2hcbB1 TYR 315 HB2 -0.26 0.04 0.06 -0.04 3.06 2.86 2hcbB1 TYR 315 HB3 0.03 -0.05 0.12 -0.04 2.98 3.03 2hcbB1 TYR 315 HD2 0.20 0.01 -0.05 -0.04 7.15 7.27 2hcbB1 TYR 315 HE2 0.17 -0.00 -0.03 -0.04 6.85 6.95 2hcbB1 TYR 316 H 0.25 0.18 -0.04 -0.55 8.29 8.13 2hcbB1 TYR 316 HA -0.08 0.22 0.80 -0.75 4.56 4.74 2hcbB1 TYR 316 HB2 0.07 -0.01 0.11 -0.04 3.06 3.19 2hcbB1 TYR 316 HB3 0.02 -0.01 0.16 -0.04 2.98 3.10 2hcbB1 TYR 316 HD2 0.20 -0.04 -0.06 -0.04 7.15 7.21 2hcbB1 TYR 316 HE2 0.16 -0.01 -0.02 -0.04 6.85 6.93 2hcbB1 ALA 317 H -0.06 0.24 -0.60 -0.55 8.40 7.44 2hcbB1 ALA 317 HA -0.01 0.33 0.27 -0.75 4.34 4.18 2hcbB1 ALA 317 HB3 -0.03 -0.01 0.02 -0.04 1.41 1.35 2hcbB1 VAL 318 H 0.04 0.15 -0.12 -0.55 8.24 7.76 2hcbB1 VAL 318 HA 0.03 0.09 0.92 -0.75 4.13 4.42 2hcbB1 VAL 318 HB 0.04 -0.01 -0.03 -0.04 2.12 2.08 2hcbB1 VAL 318 HG13 0.03 0.01 -0.19 -0.04 0.97 0.78 2hcbB1 VAL 318 HG23 0.07 0.06 -0.14 -0.04 0.95 0.90 2hcbB1 LYS 319 H 0.02 0.11 0.08 -0.55 8.42 8.07 2hcbB1 LYS 319 HA 0.01 0.14 0.50 -0.75 4.32 4.21 2hcbB1 LYS 319 HB2 0.01 0.07 0.09 -0.04 1.87 2.01 2hcbB1 LYS 319 HB3 0.00 -0.09 -0.02 -0.04 1.79 1.64 2hcbB1 LYS 319 HG2 0.00 -0.11 0.02 -0.04 1.46 1.33 2hcbB1 LYS 319 HG3 0.00 0.07 0.06 -0.04 1.46 1.55 2hcbB1 LYS 319 HD2 0.00 0.05 -0.00 -0.04 1.69 1.70 2hcbB1 LYS 319 HD3 0.00 -0.01 -0.01 -0.04 1.68 1.63 2hcbB1 LYS 319 HE2 0.00 -0.03 0.01 -0.04 2.99 2.93 2hcbB1 LYS 319 HE3 0.00 0.04 -0.00 -0.04 2.99 2.98 2hcbB1 VAL 320 H 0.01 0.14 0.14 -0.55 8.24 7.97 2hcbB1 VAL 320 HA 0.01 0.16 0.12 -0.75 4.13 3.67 2hcbB1 VAL 320 HB 0.01 -0.07 0.15 -0.04 2.12 2.17 2hcbB1 VAL 320 HG13 0.01 0.01 -0.15 -0.04 0.97 0.80 2hcbB1 VAL 320 HG23 0.01 0.03 0.02 -0.04 0.95 0.97 2hcbB1 GLU 321 H -0.00 0.11 0.05 -0.55 8.60 8.22 2hcbB1 GLU 321 HA -0.02 0.12 0.41 -0.75 4.29 4.05 2hcbB1 GLU 321 HB2 -0.01 0.00 0.12 -0.04 2.09 2.17 2hcbB1 GLU 321 HB3 -0.01 -0.01 0.01 -0.04 1.99 1.94 2hcbB1 GLU 321 HG2 -0.03 0.04 0.04 -0.04 2.34 2.35 2hcbB1 GLU 321 HG3 -0.02 0.04 0.09 -0.04 2.34 2.40 2hcbB1 ASP 322 H -0.01 0.02 -0.65 -0.55 8.40 7.22 2hcbB1 ASP 322 HA -0.02 0.06 0.32 -0.75 4.63 4.24 2hcbB1 ASP 322 HB2 -0.00 -0.14 -0.03 -0.04 2.71 2.50 2hcbB1 ASP 322 HB3 0.00 0.14 -0.07 -0.04 2.70 2.73 2hcbB1 ILE 323 H -0.01 0.57 -0.50 -0.55 8.25 7.76 2hcbB1 ILE 323 HA 0.01 0.10 0.55 -0.75 4.18 4.09 2hcbB1 ILE 323 HB 0.01 0.17 0.10 -0.04 1.89 2.13 2hcbB1 ILE 323 HG12 0.02 0.10 -0.13 -0.04 1.49 1.43 2hcbB1 ILE 323 HG13 0.02 -0.07 -0.12 -0.04 1.21 1.01 2hcbB1 ILE 323 HG23 0.04 -0.03 -0.02 -0.04 0.93 0.88 2hcbB1 ILE 323 HD13 0.04 -0.01 -0.18 -0.04 0.88 0.69 2hcbB1 LEU 324 H -0.06 0.26 -0.19 -0.55 8.37 7.83 2hcbB1 LEU 324 HA -0.22 0.09 0.69 -0.75 4.35 4.15 2hcbB1 LEU 324 HB2 -0.12 -0.02 0.26 -0.04 1.64 1.72 2hcbB1 LEU 324 HB3 -0.15 -0.05 0.18 -0.04 1.64 1.58 2hcbB1 LEU 324 HG -0.05 0.06 0.21 -0.04 1.64 1.82 2hcbB1 LEU 324 HD13 -0.05 -0.02 0.09 -0.04 0.93 0.91 2hcbB1 LEU 324 HD23 -0.04 0.00 0.01 -0.04 0.89 0.82 2hcbB1 SER 325 H -0.21 0.36 -0.39 -0.55 8.46 7.67 2hcbB1 SER 325 HA -0.08 -0.01 -0.24 -0.75 4.49 3.41 2hcbB1 SER 325 HB2 -0.01 0.15 0.20 -0.04 3.95 4.25 2hcbB1 SER 325 HB3 0.03 -0.11 0.16 -0.04 3.93 3.97 2hcbB1 ASP 326 H -0.08 0.24 0.14 -0.55 8.40 8.15 2hcbB1 ASP 326 HA -0.02 0.06 0.71 -0.75 4.63 4.62 2hcbB1 ASP 326 HB2 -0.06 0.09 0.17 -0.04 2.71 2.87 2hcbB1 ASP 326 HB3 -0.03 -0.03 0.25 -0.04 2.70 2.85 2hcbB1 LYS 327 H 0.04 0.29 -0.09 -0.55 8.42 8.11 2hcbB1 LYS 327 HA 0.04 0.03 0.14 -0.75 4.32 3.78 2hcbB1 LYS 327 HB2 0.01 0.24 0.15 -0.04 1.87 2.23 2hcbB1 LYS 327 HB3 0.02 0.01 0.11 -0.04 1.79 1.89 2hcbB1 LYS 327 HG2 0.03 -0.01 -0.04 -0.04 1.46 1.40 2hcbB1 LYS 327 HG3 0.02 -0.08 -0.27 -0.04 1.46 1.09 2hcbB1 LYS 327 HD2 0.01 0.04 -0.07 -0.04 1.69 1.64 2hcbB1 LYS 327 HD3 0.01 -0.00 -0.02 -0.04 1.68 1.63 2hcbB1 LYS 327 HE2 0.02 -0.01 -0.03 -0.04 2.99 2.92 2hcbB1 LYS 327 HE3 0.02 -0.01 -0.06 -0.04 2.99 2.89 2hcbB1 ASN 329 HA 0.02 -0.03 0.30 -0.75 4.76 4.29 2hcbB1 ASN 329 HB2 0.02 -0.02 -0.00 -0.04 2.88 2.84 2hcbB1 ASN 329 HB3 0.02 -0.08 0.05 -0.04 2.79 2.74 2hcbB1 ASN 329 HD21 0.01 0.03 0.04 -0.04 7.03 7.07 2hcbB1 ASN 329 HD22 0.01 -0.01 0.11 -0.04 7.74 7.82 2hcbB1 LYS 330 H 0.01 0.18 0.12 -0.55 8.42 8.18 2hcbB1 LYS 330 HA 0.02 0.14 0.51 -0.75 4.32 4.23 2hcbB1 LYS 330 HB2 0.01 0.05 0.12 -0.04 1.87 2.01 2hcbB1 LYS 330 HB3 0.01 0.02 0.13 -0.04 1.79 1.91 2hcbB1 LYS 330 HG2 0.00 0.04 0.03 -0.04 1.46 1.49 2hcbB1 LYS 330 HG3 0.00 0.00 -0.20 -0.04 1.46 1.22 2hcbB1 LYS 330 HD2 0.00 -0.09 0.17 -0.04 1.69 1.73 2hcbB1 LYS 330 HD3 -0.00 0.04 0.06 -0.04 1.68 1.74 2hcbB1 LYS 330 HE2 -0.00 0.02 0.02 -0.04 2.99 2.98 2hcbB1 LYS 330 HE3 -0.03 -0.01 0.03 -0.04 2.99 2.94 2hcbB1 ARG 331 H 0.02 0.09 -0.54 -0.55 8.46 7.48 2hcbB1 ARG 331 HA 0.01 0.17 0.64 -0.75 4.34 4.40 2hcbB1 ARG 331 HB2 0.04 0.01 0.07 -0.04 1.90 1.97 2hcbB1 ARG 331 HB3 0.03 -0.05 0.11 -0.04 1.80 1.85 2hcbB1 ARG 331 HG2 0.05 0.06 -0.01 -0.04 1.67 1.72 2hcbB1 ARG 331 HG3 0.05 -0.01 -0.20 -0.04 1.67 1.46 2hcbB1 ARG 331 HD2 0.14 0.35 -0.04 -0.04 3.22 3.63 2hcbB1 ARG 331 HD3 0.05 -0.10 0.07 -0.04 3.22 3.21 2hcbB1 THR 332 H 0.03 0.23 -0.01 -0.55 8.28 7.97 2hcbB1 THR 332 HA 0.03 0.07 0.46 -0.75 4.39 4.20 2hcbB1 THR 332 HB 0.02 0.17 0.03 -0.04 4.32 4.51 2hcbB1 THR 332 HG23 0.02 0.01 -0.23 -0.04 1.22 0.98 2hcbB1 SER 333 H 0.03 -0.07 -1.13 -0.55 8.46 6.74 2hcbB1 SER 333 HA 0.06 0.23 0.85 -0.75 4.49 4.88 2hcbB1 SER 333 HB2 0.04 0.24 -0.01 -0.04 3.95 4.18 2hcbB1 SER 333 HB3 0.03 -0.12 0.09 -0.04 3.93 3.88 2hcbB1 GLU 334 H 0.02 0.41 -0.05 -0.55 8.60 8.43 2hcbB1 GLU 334 HA 0.04 0.07 0.64 -0.75 4.29 4.29 2hcbB1 GLU 334 HB2 -0.00 0.20 0.33 -0.04 2.09 2.57 2hcbB1 GLU 334 HB3 -0.04 0.03 0.23 -0.04 1.99 2.17 2hcbB1 GLU 334 HG2 0.00 0.00 0.08 -0.04 2.34 2.38 2hcbB1 GLU 334 HG3 0.02 -0.03 0.04 -0.04 2.34 2.33 2hcbB1 ALA 335 H 0.02 0.54 0.05 -0.55 8.40 8.46 2hcbB1 ALA 335 HA 0.03 0.08 0.71 -0.75 4.34 4.41 2hcbB1 ALA 335 HB3 0.04 0.01 0.06 -0.04 1.41 1.49 2hcbB1 ARG 336 H 0.05 -0.03 -0.73 -0.55 8.46 7.20 2hcbB1 ARG 336 HA 0.08 0.09 0.52 -0.75 4.34 4.28 2hcbB1 ARG 336 HB2 0.09 0.42 0.13 -0.04 1.90 2.49 2hcbB1 ARG 336 HB3 0.09 0.02 0.17 -0.04 1.80 2.04 2hcbB1 ARG 336 HG2 0.15 -0.06 -0.21 -0.04 1.67 1.51 2hcbB1 ARG 336 HG3 0.20 0.01 0.06 -0.04 1.67 1.89 2hcbB1 ARG 336 HD2 0.60 -0.06 0.04 -0.04 3.22 3.76 2hcbB1 ARG 336 HD3 0.19 0.13 0.15 -0.04 3.22 3.66 2hcbB1 LYS 337 H 0.06 0.67 -0.07 -0.55 8.42 8.53 2hcbB1 LYS 337 HA 0.07 0.01 0.34 -0.75 4.32 3.99 2hcbB1 LYS 337 HB2 0.06 0.07 0.13 -0.04 1.87 2.09 2hcbB1 LYS 337 HB3 0.07 0.05 0.06 -0.04 1.79 1.93 2hcbB1 LYS 337 HG2 0.05 -0.08 0.07 -0.04 1.46 1.46 2hcbB1 LYS 337 HG3 0.05 0.13 0.10 -0.04 1.46 1.70 2hcbB1 LYS 337 HD2 0.03 0.02 0.02 -0.04 1.69 1.72 2hcbB1 LYS 337 HD3 0.04 -0.02 0.04 -0.04 1.68 1.70 2hcbB1 LYS 337 HE2 0.03 -0.04 0.01 -0.04 2.99 2.94 2hcbB1 LYS 337 HE3 0.02 0.00 -0.02 -0.04 2.99 2.95 2hcbB1 ILE 338 H 0.06 0.13 -0.72 -0.55 8.25 7.17 2hcbB1 ILE 338 HA 0.06 0.06 0.35 -0.75 4.18 3.91 2hcbB1 ILE 338 HB 0.04 0.03 0.20 -0.04 1.89 2.12 2hcbB1 ILE 338 HG12 0.04 0.73 0.29 -0.04 1.49 2.50 2hcbB1 ILE 338 HG13 -0.02 -0.09 0.07 -0.04 1.21 1.13 2hcbB1 ILE 338 HG23 0.02 -0.03 -0.10 -0.04 0.93 0.78 2hcbB1 ILE 338 HD13 -0.02 -0.03 0.01 -0.04 0.88 0.80 2hcbB1 ALA 339 H 0.07 0.53 -0.00 -0.55 8.40 8.45 2hcbB1 ALA 339 HA 0.08 -0.05 0.28 -0.75 4.34 3.90 2hcbB1 ALA 339 HB3 0.07 0.04 0.10 -0.04 1.41 1.57 2hcbB1 MET 340 H 0.09 0.33 -0.56 -0.55 8.47 7.78 2hcbB1 MET 340 HA 0.05 -0.00 0.41 -0.75 4.52 4.23 2hcbB1 MET 340 HB2 0.08 0.18 -0.01 -0.04 2.15 2.36 2hcbB1 MET 340 HB3 0.05 -0.07 -0.02 -0.04 2.03 1.94 2hcbB1 MET 340 HG2 0.07 -0.02 -0.02 -0.04 2.63 2.61 2hcbB1 MET 340 HG3 0.08 0.06 -0.01 -0.04 2.56 2.65 2hcbB1 MET 340 HE3 0.21 -0.00 -0.03 -0.04 2.10 2.23 2hcbB1 TYR 341 H 0.19 0.53 -0.04 -0.55 8.29 8.42 2hcbB1 TYR 341 HA 0.02 0.01 0.46 -0.75 4.56 4.30 2hcbB1 TYR 341 HB2 0.03 0.11 0.22 -0.04 3.06 3.38 2hcbB1 TYR 341 HB3 0.03 0.09 0.15 -0.04 2.98 3.20 2hcbB1 TYR 341 HD2 0.02 0.04 -0.08 -0.04 7.15 7.09 2hcbB1 TYR 341 HE2 0.01 -0.01 -0.02 -0.04 6.85 6.79 2hcbB1 LEU 342 H 0.14 0.37 -0.36 -0.55 8.37 7.98 2hcbB1 LEU 342 HA 0.09 0.04 0.46 -0.75 4.35 4.18 2hcbB1 LEU 342 HB2 0.07 0.09 0.09 -0.04 1.64 1.85 2hcbB1 LEU 342 HB3 0.08 -0.04 0.02 -0.04 1.64 1.66 2hcbB1 LEU 342 HG 0.14 0.20 -0.06 -0.04 1.64 1.87 2hcbB1 LEU 342 HD13 0.09 -0.01 -0.04 -0.04 0.93 0.94 2hcbB1 LEU 342 HD23 0.16 -0.02 -0.10 -0.04 0.89 0.89 2hcbB1 CYS 343 H 0.04 0.49 0.02 -0.55 8.50 8.50 2hcbB1 CYS 343 HA 0.00 -0.01 0.31 -0.75 4.58 4.12 2hcbB1 CYS 343 HB2 0.01 0.12 0.06 -0.04 2.97 3.11 2hcbB1 CYS 343 HB3 0.01 -0.06 -0.02 -0.04 2.97 2.86 2hcbB1 ARG 344 H -0.05 0.35 -0.59 -0.55 8.46 7.63 2hcbB1 ARG 344 HA -0.05 0.08 0.39 -0.75 4.34 4.01 2hcbB1 ARG 344 HB2 -0.07 0.03 0.01 -0.04 1.90 1.84 2hcbB1 ARG 344 HB3 -0.19 0.14 0.07 -0.04 1.80 1.77 2hcbB1 ARG 344 HG2 -0.10 -0.04 -0.05 -0.04 1.67 1.44 2hcbB1 ARG 344 HG3 -0.12 0.01 -0.14 -0.04 1.67 1.39 2hcbB1 ARG 344 HD2 -0.05 0.21 0.01 -0.04 3.22 3.36 2hcbB1 ARG 344 HD3 -0.04 -0.11 -0.11 -0.04 3.22 2.92 2hcbB1 LYS 345 H -0.14 0.32 -0.08 -0.55 8.42 7.96 2hcbB1 LYS 345 HA -0.10 0.13 0.55 -0.75 4.32 4.14 2hcbB1 LYS 345 HB2 -0.17 0.03 0.19 -0.04 1.87 1.88 2hcbB1 LYS 345 HB3 -0.08 -0.04 -0.00 -0.04 1.79 1.63 2hcbB1 LYS 345 HG2 -0.51 0.01 -0.00 -0.04 1.46 0.92 2hcbB1 LYS 345 HG3 -0.59 -0.04 0.02 -0.04 1.46 0.82 2hcbB1 LYS 345 HD2 -0.10 -0.03 0.00 -0.04 1.69 1.53 2hcbB1 LYS 345 HD3 -0.13 0.05 -0.02 -0.04 1.68 1.54 2hcbB1 LYS 345 HE2 -0.21 0.00 -0.04 -0.04 2.99 2.70 2hcbB1 LYS 345 HE3 -0.17 -0.01 -0.01 -0.04 2.99 2.76 2hcbB1 VAL 346 H -0.01 0.47 0.17 -0.55 8.24 8.32 2hcbB1 VAL 346 HA 0.06 0.14 0.62 -0.75 4.13 4.20 2hcbB1 VAL 346 HB 0.02 -0.03 0.07 -0.04 2.12 2.14 2hcbB1 VAL 346 HG13 0.02 -0.00 -0.28 -0.04 0.97 0.67 2hcbB1 VAL 346 HG23 0.07 -0.01 0.02 -0.04 0.95 0.98 2hcbB1 CYS 347 H -0.01 0.17 -0.03 -0.55 8.50 8.09 2hcbB1 CYS 347 HA -0.03 0.13 0.39 -0.75 4.58 4.32 2hcbB1 CYS 347 HB2 -0.01 0.06 0.07 -0.04 2.97 3.05 2hcbB1 CYS 347 HB3 -0.02 -0.04 0.06 -0.04 2.97 2.94 2hcbB1 SER 348 H -0.02 0.01 -1.01 -0.55 8.46 6.89 2hcbB1 SER 348 HA -0.03 0.32 0.22 -0.75 4.49 4.25 2hcbB1 SER 348 HB2 -0.02 0.02 -0.21 -0.04 3.95 3.71 2hcbB1 SER 348 HB3 -0.01 -0.10 0.13 -0.04 3.93 3.90 2hcbB1 ALA 349 H -0.02 0.53 -0.21 -0.55 8.40 8.15 2hcbB1 ALA 349 HA -0.01 0.08 0.43 -0.75 4.34 4.09 2hcbB1 ALA 349 HB3 -0.01 -0.05 -0.09 -0.04 1.41 1.22 2hcbB1 SER 350 H -0.00 0.06 0.16 -0.55 8.46 8.14 2hcbB1 SER 350 HA -0.00 0.25 0.62 -0.75 4.49 4.61 2hcbB1 SER 350 HB2 0.01 0.01 0.13 -0.04 3.95 4.07 2hcbB1 SER 350 HB3 0.00 0.18 0.13 -0.04 3.93 4.20 2hcbB1 LEU 351 H 0.01 0.23 0.16 -0.55 8.37 8.22 2hcbB1 LEU 351 HA -0.00 0.14 0.34 -0.75 4.35 4.07 2hcbB1 LEU 351 HB2 0.06 -0.05 0.07 -0.04 1.64 1.68 2hcbB1 LEU 351 HB3 0.03 0.05 0.07 -0.04 1.64 1.76 2hcbB1 LEU 351 HG 0.01 0.01 0.11 -0.04 1.64 1.72 2hcbB1 LEU 351 HD13 0.02 0.00 0.00 -0.04 0.93 0.91 2hcbB1 LEU 351 HD23 -0.01 0.02 -0.03 -0.04 0.89 0.83 2hcbB1 ILE 352 H 0.01 0.01 -0.37 -0.55 8.25 7.35 2hcbB1 ILE 352 HA -0.14 0.18 0.47 -0.75 4.18 3.94 2hcbB1 ILE 352 HB 0.01 -0.00 -0.02 -0.04 1.89 1.83 2hcbB1 ILE 352 HG12 0.07 -0.00 0.01 -0.04 1.49 1.53 2hcbB1 ILE 352 HG13 0.14 0.04 -0.02 -0.04 1.21 1.33 2hcbB1 ILE 352 HG23 -0.06 0.03 -0.10 -0.04 0.93 0.76 2hcbB1 ILE 352 HD13 0.18 -0.06 -0.17 -0.04 0.88 0.79 2hcbB1 GLU 353 H -0.01 -0.02 -0.09 -0.55 8.60 7.94 2hcbB1 GLU 353 HA -0.01 0.11 0.46 -0.75 4.29 4.10 2hcbB1 GLU 353 HB2 -0.00 -0.06 0.19 -0.04 2.09 2.17 2hcbB1 GLU 353 HB3 -0.00 0.10 -0.03 -0.04 1.99 2.02 2hcbB1 GLU 353 HG2 0.00 0.08 0.04 -0.04 2.34 2.42 2hcbB1 GLU 353 HG3 0.00 -0.09 0.07 -0.04 2.34 2.28 2hcbB1 ILE 354 H -0.01 0.67 -0.22 -0.55 8.25 8.14 2hcbB1 ILE 354 HA 0.01 0.07 0.35 -0.75 4.18 3.86 2hcbB1 ILE 354 HB -0.00 0.03 -0.00 -0.04 1.89 1.88 2hcbB1 ILE 354 HG12 0.01 -0.04 -0.12 -0.04 1.49 1.29 2hcbB1 ILE 354 HG13 -0.00 -0.06 -0.22 -0.04 1.21 0.89 2hcbB1 ILE 354 HG23 0.02 -0.00 -0.11 -0.04 0.93 0.80 2hcbB1 ILE 354 HD13 -0.02 0.01 -0.39 -0.04 0.88 0.45 2hcbB1 ALA 355 H -0.03 0.22 -0.40 -0.55 8.40 7.65 2hcbB1 ALA 355 HA 0.01 -0.01 0.43 -0.75 4.34 4.02 2hcbB1 ALA 355 HB3 -0.12 0.04 0.17 -0.04 1.41 1.46 2hcbB1 ARG 356 H -0.00 0.27 -0.78 -0.55 8.46 7.39 2hcbB1 ARG 356 HA 0.01 0.16 0.63 -0.75 4.34 4.39 2hcbB1 ARG 356 HB2 -0.00 0.12 0.03 -0.04 1.90 2.00 2hcbB1 ARG 356 HB3 -0.01 -0.03 0.07 -0.04 1.80 1.80 2hcbB1 ARG 356 HG2 -0.03 -0.02 -0.18 -0.04 1.67 1.41 2hcbB1 ARG 356 HG3 -0.02 0.19 -0.02 -0.04 1.67 1.77 2hcbB1 ARG 356 HD2 -0.01 0.00 -0.02 -0.04 3.22 3.15 2hcbB1 ARG 356 HD3 -0.01 0.02 -0.04 -0.04 3.22 3.14 2hcbB1 ALA 357 H 0.04 0.45 -0.24 -0.55 8.40 8.11 2hcbB1 ALA 357 HA 0.03 0.08 0.69 -0.75 4.34 4.38 2hcbB1 ALA 357 HB3 0.06 -0.01 0.11 -0.04 1.41 1.54 2hcbB1 PHE 358 H 0.20 0.16 -0.15 -0.55 8.34 7.99 2hcbB1 PHE 358 HA 0.00 0.07 0.47 -0.75 4.62 4.41 2hcbB1 PHE 358 HB2 0.00 -0.04 0.13 -0.04 3.15 3.21 2hcbB1 PHE 358 HB3 -0.01 0.12 0.28 -0.04 3.06 3.42 2hcbB1 PHE 358 HD2 0.01 0.02 0.02 -0.04 7.28 7.28 2hcbB1 PHE 358 HE2 0.01 -0.01 -0.02 -0.04 7.38 7.32 2hcbB1 PHE 358 HZ 0.01 0.00 0.01 -0.04 7.32 7.30 2hcbB1 LYS 359 H -0.06 0.57 -0.13 -0.55 8.42 8.24 2hcbB1 LYS 359 HA 0.00 0.08 0.03 -0.75 4.32 3.68 2hcbB1 LYS 359 HB2 -0.08 -0.02 0.08 -0.04 1.87 1.81 2hcbB1 LYS 359 HB3 -0.04 -0.05 0.03 -0.04 1.79 1.69 2hcbB1 LYS 359 HG2 -0.02 0.04 -0.04 -0.04 1.46 1.39 2hcbB1 LYS 359 HG3 -0.03 0.20 0.00 -0.04 1.46 1.59 2hcbB1 LYS 359 HD2 -0.04 -0.07 0.05 -0.04 1.69 1.59 2hcbB1 LYS 359 HD3 -0.04 -0.04 0.02 -0.04 1.68 1.57 2hcbB1 LYS 359 HE2 -0.03 0.07 0.05 -0.04 2.99 3.04 2hcbB1 LYS 359 HE3 -0.02 0.02 0.07 -0.04 2.99 3.02 2hcbB1 ASP 362 HA 0.13 -0.17 0.29 -0.75 4.63 4.13 2hcbB1 ASP 362 HB2 -0.05 0.03 0.08 -0.04 2.71 2.73 2hcbB1 ASP 362 HB3 0.02 -0.13 0.02 -0.04 2.70 2.57 2hcbB1 HIS 363 H 0.36 0.03 0.15 -0.55 8.41 8.41 2hcbB1 HIS 363 HA -0.00 0.24 0.45 -0.75 4.63 4.57 2hcbB1 HIS 363 HB2 0.01 -0.04 0.10 -0.04 3.26 3.29 2hcbB1 HIS 363 HB3 0.00 0.00 0.00 -0.04 3.20 3.16 2hcbB1 HIS 363 HD2 0.02 -0.06 0.14 -0.04 6.97 7.02 2hcbB1 HIS 363 HE1 0.02 -0.01 -0.02 -0.04 7.75 7.69 2hcbB1 THR 364 H 0.12 0.04 0.08 -0.55 8.28 7.97 2hcbB1 THR 364 HA 0.07 0.05 0.27 -0.75 4.39 4.02 2hcbB1 THR 364 HB 0.04 0.07 -0.04 -0.04 4.32 4.35 2hcbB1 THR 364 HG23 0.05 0.01 0.07 -0.04 1.22 1.30 2hcbB1 THR 365 H -0.04 0.11 -0.37 -0.55 8.28 7.42 2hcbB1 THR 365 HA -0.07 0.02 0.28 -0.75 4.39 3.87 2hcbB1 THR 365 HB -0.26 0.10 0.04 -0.04 4.32 4.16 2hcbB1 THR 365 HG23 -0.46 0.01 -0.08 -0.04 1.22 0.65 2hcbB1 VAL 366 H -0.05 0.32 -0.17 -0.55 8.24 7.78 2hcbB1 VAL 366 HA -0.02 0.05 0.19 -0.75 4.13 3.60 2hcbB1 VAL 366 HB -0.01 0.11 0.13 -0.04 2.12 2.31 2hcbB1 VAL 366 HG13 -0.00 -0.02 -0.13 -0.04 0.97 0.78 2hcbB1 VAL 366 HG23 -0.02 0.02 -0.01 -0.04 0.95 0.89 2hcbB1 ILE 367 H 0.01 0.37 -0.33 -0.55 8.25 7.74 2hcbB1 ILE 367 HA -0.06 0.07 0.24 -0.75 4.18 3.68 2hcbB1 ILE 367 HB 0.00 0.17 0.20 -0.04 1.89 2.22 2hcbB1 ILE 367 HG12 -0.04 -0.02 0.00 -0.04 1.49 1.40 2hcbB1 ILE 367 HG13 -0.05 0.01 0.01 -0.04 1.21 1.13 2hcbB1 ILE 367 HG23 -0.45 -0.01 -0.09 -0.04 0.93 0.34 2hcbB1 ILE 367 HD13 0.03 -0.04 -0.08 -0.04 0.88 0.74 2hcbB1 HIS 368 H 0.13 0.33 0.11 -0.55 8.41 8.43 2hcbB1 HIS 368 HA 0.02 0.03 0.59 -0.75 4.63 4.52 2hcbB1 HIS 368 HB2 -0.00 0.08 0.09 -0.04 3.26 3.39 2hcbB1 HIS 368 HB3 0.00 0.01 0.16 -0.04 3.20 3.33 2hcbB1 HIS 368 HD2 0.01 0.02 0.02 -0.04 6.97 6.97 2hcbB1 HIS 368 HE1 0.00 -0.01 0.01 -0.04 7.75 7.71 2hcbB1 ALA 369 H 0.05 0.29 -0.47 -0.55 8.40 7.73 2hcbB1 ALA 369 HA 0.06 0.08 0.78 -0.75 4.34 4.50 2hcbB1 ALA 369 HB3 0.03 0.02 0.04 -0.04 1.41 1.46 2hcbB1 ILE 370 H 0.03 0.41 -0.10 -0.55 8.25 8.04 2hcbB1 ILE 370 HA 0.18 0.13 0.76 -0.75 4.18 4.49 2hcbB1 ILE 370 HB 0.02 0.17 0.10 -0.04 1.89 2.15 2hcbB1 ILE 370 HG12 0.07 -0.03 0.01 -0.04 1.49 1.49 2hcbB1 ILE 370 HG13 -0.05 -0.01 -0.05 -0.04 1.21 1.06 2hcbB1 ILE 370 HG23 -0.03 0.09 0.01 -0.04 0.93 0.96 2hcbB1 ILE 370 HD13 -0.16 -0.01 0.08 -0.04 0.88 0.75 2hcbB1 ARG 371 H 0.03 0.14 0.02 -0.55 8.46 8.10 2hcbB1 ARG 371 HA 0.06 0.16 0.75 -0.75 4.34 4.55 2hcbB1 ARG 371 HB2 -0.00 -0.06 0.19 -0.04 1.90 1.99 2hcbB1 ARG 371 HB3 0.03 -0.01 0.01 -0.04 1.80 1.78 2hcbB1 ARG 371 HG2 -0.04 0.01 -0.01 -0.04 1.67 1.59 2hcbB1 ARG 371 HG3 -0.10 0.15 -0.03 -0.04 1.67 1.65 2hcbB1 ARG 371 HD2 -0.54 -0.07 -0.12 -0.04 3.22 2.46 2hcbB1 ARG 371 HD3 -0.09 0.00 -0.03 -0.04 3.22 3.06 2hcbB1 SER 372 H 0.07 0.44 -0.13 -0.55 8.46 8.30 2hcbB1 SER 372 HA 0.03 -0.01 0.31 -0.75 4.49 4.06 2hcbB1 SER 372 HB2 0.01 -0.03 0.06 -0.04 3.95 3.95 2hcbB1 SER 372 HB3 0.05 0.07 0.21 -0.04 3.93 4.22 2hcbB1 VAL 373 H 0.08 0.17 -0.69 -0.55 8.24 7.25 2hcbB1 VAL 373 HA 0.05 0.10 0.40 -0.75 4.13 3.92 2hcbB1 VAL 373 HB 0.05 0.07 -0.04 -0.04 2.12 2.16 2hcbB1 VAL 373 HG13 -0.50 -0.01 -0.13 -0.04 0.97 0.29 2hcbB1 VAL 373 HG23 0.06 0.06 -0.00 -0.04 0.95 1.02 2hcbB1 GLU 374 H 0.09 0.32 -0.19 -0.55 8.60 8.28 2hcbB1 GLU 374 HA 0.03 0.16 0.76 -0.75 4.29 4.49 2hcbB1 GLU 374 HB2 0.07 -0.06 0.12 -0.04 2.09 2.19 2hcbB1 GLU 374 HB3 0.14 0.01 0.02 -0.04 1.99 2.12 2hcbB1 GLU 374 HG2 0.14 0.10 0.12 -0.04 2.34 2.66 2hcbB1 GLU 374 HG3 0.07 0.01 -0.18 -0.04 2.34 2.20 2hcbB1 GLU 375 H 0.03 0.47 -0.10 -0.55 8.60 8.46 2hcbB1 GLU 375 HA 0.02 0.03 0.64 -0.75 4.29 4.23 2hcbB1 GLU 375 HB2 0.03 -0.02 -0.17 -0.04 2.09 1.89 2hcbB1 GLU 375 HB3 0.00 0.12 0.02 -0.04 1.99 2.10 2hcbB1 GLU 375 HG2 0.00 0.01 0.03 -0.04 2.34 2.35 2hcbB1 GLU 375 HG3 0.02 -0.02 0.05 -0.04 2.34 2.34 2hcbB1 GLU 376 H -0.02 0.35 -0.53 -0.55 8.60 7.84 2hcbB1 GLU 376 HA -0.07 0.10 0.73 -0.75 4.29 4.29 2hcbB1 GLU 376 HB2 -0.25 0.10 0.15 -0.04 2.09 2.05 2hcbB1 GLU 376 HB3 -0.32 0.02 0.17 -0.04 1.99 1.82 2hcbB1 GLU 376 HG2 -0.12 -0.03 -0.06 -0.04 2.34 2.09 2hcbB1 GLU 376 HG3 -0.09 -0.00 -0.15 -0.04 2.34 2.06 2hcbB1 LYS 377 H 0.01 0.21 -0.55 -0.55 8.42 7.53 2hcbB1 LYS 377 HA 0.08 0.16 0.60 -0.75 4.32 4.41 2hcbB1 LYS 377 HB2 0.04 -0.06 0.20 -0.04 1.87 2.01 2hcbB1 LYS 377 HB3 0.03 -0.01 0.11 -0.04 1.79 1.87 2hcbB1 LYS 377 HG2 0.03 -0.05 -0.14 -0.04 1.46 1.25 2hcbB1 LYS 377 HG3 0.03 -0.00 0.01 -0.04 1.46 1.46 2hcbB1 LYS 377 HD2 0.05 0.01 0.02 -0.04 1.69 1.73 2hcbB1 LYS 377 HD3 0.03 0.01 -0.01 -0.04 1.68 1.67 2hcbB1 LYS 377 HE2 0.01 -0.04 -0.04 -0.04 2.99 2.88 2hcbB1 LYS 377 HE3 0.02 -0.02 -0.03 -0.04 2.99 2.92 2hcbB1 LYS 378 H 0.01 0.12 -0.06 -0.55 8.42 7.94 2hcbB1 LYS 378 HA 0.03 0.02 0.19 -0.75 4.32 3.80 2hcbB1 LYS 378 HB2 0.01 -0.01 0.09 -0.04 1.87 1.92 2hcbB1 LYS 378 HB3 0.01 -0.00 0.09 -0.04 1.79 1.85 2hcbB1 LYS 378 HG2 -0.00 0.01 -0.00 -0.04 1.46 1.43 2hcbB1 LYS 378 HG3 -0.01 0.05 -0.04 -0.04 1.46 1.43 2hcbB1 LYS 378 HD2 0.00 -0.04 0.02 -0.04 1.69 1.63 2hcbB1 LYS 378 HD3 0.00 -0.02 0.03 -0.04 1.68 1.66 2hcbB1 LYS 378 HE2 -0.01 0.17 0.06 -0.04 2.99 3.17 2hcbB1 LYS 378 HE3 -0.01 -0.01 0.01 -0.04 2.99 2.93 2hcbB1 ARG 381 HA 0.04 -0.04 1.29 -0.75 4.34 4.88 2hcbB1 ARG 381 HB2 -0.04 0.03 -0.02 -0.04 1.90 1.83 2hcbB1 ARG 381 HB3 0.01 -0.02 -0.19 -0.04 1.80 1.56 2hcbB1 ARG 381 HG2 -0.00 -0.19 -0.66 -0.04 1.67 0.78 2hcbB1 ARG 381 HG3 -0.04 0.04 -0.15 -0.04 1.67 1.47 2hcbB1 ARG 381 HD2 -0.02 0.02 -0.08 -0.04 3.22 3.10 2hcbB1 ARG 381 HD3 -0.00 0.01 -0.12 -0.04 3.22 3.06 2hcbB1 LYS 382 H 0.08 0.09 0.24 -0.55 8.42 8.28 2hcbB1 LYS 382 HA 0.09 -0.09 0.39 -0.75 4.32 3.95 2hcbB1 LYS 382 HB2 0.06 -0.05 0.03 -0.04 1.87 1.87 2hcbB1 LYS 382 HB3 0.09 0.24 0.24 -0.04 1.79 2.33 2hcbB1 LYS 382 HG2 0.09 -0.00 0.12 -0.04 1.46 1.63 2hcbB1 LYS 382 HG3 0.06 -0.05 0.08 -0.04 1.46 1.50 2hcbB1 LYS 382 HD2 0.04 -0.02 0.04 -0.04 1.69 1.71 2hcbB1 LYS 382 HD3 0.07 0.06 0.08 -0.04 1.68 1.85 2hcbB1 LYS 382 HE2 0.07 -0.00 0.04 -0.04 2.99 3.06 2hcbB1 LYS 382 HE3 0.04 -0.03 0.02 -0.04 2.99 2.99 2hcbB1 PHE 383 H 0.17 -0.36 0.09 -0.55 8.34 7.70 2hcbB1 PHE 383 HA 0.02 0.10 0.71 -0.75 4.62 4.70 2hcbB1 PHE 383 HB2 -0.00 0.24 -0.60 -0.04 3.15 2.76 2hcbB1 PHE 383 HB3 -0.01 0.15 -0.10 -0.04 3.06 3.05 2hcbB1 PHE 383 HD2 -0.03 0.12 0.04 -0.04 7.28 7.37 2hcbB1 PHE 383 HE2 -0.06 -0.05 0.05 -0.04 7.38 7.27 2hcbB1 PHE 383 HZ -0.06 -0.05 0.04 -0.04 7.32 7.21 2hcbB1 LYS 384 H 0.14 -0.19 0.14 -0.55 8.42 7.96 2hcbB1 LYS 384 HA 0.03 0.19 0.30 -0.75 4.32 4.09 2hcbB1 LYS 384 HB2 0.14 -0.15 0.25 -0.04 1.87 2.07 2hcbB1 LYS 384 HB3 -0.02 0.02 0.07 -0.04 1.79 1.81 2hcbB1 LYS 384 HG2 0.05 0.01 0.02 -0.04 1.46 1.50 2hcbB1 LYS 384 HG3 0.09 0.12 0.07 -0.04 1.46 1.71 2hcbB1 LYS 384 HD2 0.05 0.15 0.02 -0.04 1.69 1.87 2hcbB1 LYS 384 HD3 0.08 -0.10 0.07 -0.04 1.68 1.69 2hcbB1 LYS 384 HE2 -0.03 -0.07 -0.01 -0.04 2.99 2.85 2hcbB1 LYS 384 HE3 0.01 0.01 -0.07 -0.04 2.99 2.90 2hcbB1 HIS 385 H 0.25 0.14 0.10 -0.55 8.41 8.36 2hcbB1 HIS 385 HA 0.02 0.03 0.23 -0.75 4.63 4.16 2hcbB1 HIS 385 HB2 0.00 -0.01 0.07 -0.04 3.26 3.28 2hcbB1 HIS 385 HB3 0.00 0.06 -0.03 -0.04 3.20 3.19 2hcbB1 HIS 385 HD2 0.01 0.03 0.01 -0.04 6.97 6.97 2hcbB1 HIS 385 HE1 0.01 0.03 0.03 -0.04 7.75 7.78 2hcbB1 LEU 386 H 0.04 0.06 -0.57 -0.55 8.37 7.35 2hcbB1 LEU 386 HA 0.03 0.02 0.41 -0.75 4.35 4.06 2hcbB1 LEU 386 HB2 -0.06 -0.04 -0.03 -0.04 1.64 1.47 2hcbB1 LEU 386 HB3 -0.19 0.13 0.09 -0.04 1.64 1.63 2hcbB1 LEU 386 HG -0.03 -0.01 -0.01 -0.04 1.64 1.54 2hcbB1 LEU 386 HD13 -0.21 0.02 -0.00 -0.04 0.93 0.70 2hcbB1 LEU 386 HD23 -0.29 -0.02 -0.13 -0.04 0.89 0.41 2hcbB1 VAL 387 H -0.11 0.52 0.11 -0.55 8.24 8.21 2hcbB1 VAL 387 HA -0.07 -0.01 0.44 -0.75 4.13 3.73 2hcbB1 VAL 387 HB -0.08 0.08 0.15 -0.04 2.12 2.22 2hcbB1 VAL 387 HG13 -0.04 -0.02 -0.12 -0.04 0.97 0.75 2hcbB1 VAL 387 HG23 -0.24 0.05 0.11 -0.04 0.95 0.83 2hcbB1 GLY 388 H -0.02 0.23 -0.32 -0.55 8.43 7.78 2hcbB1 GLY 388 HA2 -0.00 0.00 0.34 -0.51 4.01 3.84 2hcbB1 GLY 388 HA3 -0.01 0.03 0.26 -0.51 4.01 3.78 2hcbB1 PHE 389 H 0.17 0.55 -0.22 -0.55 8.34 8.28 2hcbB1 PHE 389 HA -0.00 0.02 0.58 -0.75 4.62 4.47 2hcbB1 PHE 389 HB2 0.02 -0.02 0.10 -0.04 3.15 3.21 2hcbB1 PHE 389 HB3 -0.02 0.15 0.18 -0.04 3.06 3.32 2hcbB1 PHE 389 HD2 0.01 0.01 -0.03 -0.04 7.28 7.23 2hcbB1 PHE 389 HE2 0.09 0.00 -0.02 -0.04 7.38 7.42 2hcbB1 PHE 389 HZ 0.06 0.01 -0.01 -0.04 7.32 7.34 2hcbB1 LEU 390 H 0.05 0.52 0.03 -0.55 8.37 8.43 2hcbB1 LEU 390 HA -0.12 0.03 0.62 -0.75 4.35 4.12 2hcbB1 LEU 390 HB2 0.00 0.15 0.22 -0.04 1.64 1.96 2hcbB1 LEU 390 HB3 0.03 -0.07 -0.01 -0.04 1.64 1.55 2hcbB1 LEU 390 HG -0.04 0.09 -0.02 -0.04 1.64 1.63 2hcbB1 LEU 390 HD13 -0.05 -0.01 -0.04 -0.04 0.93 0.78 2hcbB1 LEU 390 HD23 0.19 -0.01 -0.03 -0.04 0.89 0.99 2hcbB1 GLU 391 H -0.00 0.82 0.03 -0.55 8.60 8.90 2hcbB1 GLU 391 HA 0.03 -0.03 0.34 -0.75 4.29 3.88 2hcbB1 GLU 391 HB2 -0.00 0.11 0.12 -0.04 2.09 2.27 2hcbB1 GLU 391 HB3 0.01 -0.01 -0.02 -0.04 1.99 1.93 2hcbB1 GLU 391 HG2 0.09 -0.05 -0.01 -0.04 2.34 2.33 2hcbB1 GLU 391 HG3 0.07 0.16 -0.05 -0.04 2.34 2.47 2hcbB1 LYS 392 H -0.07 0.40 -0.34 -0.55 8.42 7.85 2hcbB1 LYS 392 HA -0.03 0.03 0.44 -0.75 4.32 4.01 2hcbB1 LYS 392 HB2 -0.19 0.15 0.14 -0.04 1.87 1.93 2hcbB1 LYS 392 HB3 -0.10 -0.04 -0.02 -0.04 1.79 1.59 2hcbB1 LYS 392 HG2 -0.06 -0.05 0.03 -0.04 1.46 1.34 2hcbB1 LYS 392 HG3 -0.04 0.21 0.12 -0.04 1.46 1.71 2hcbB1 LYS 392 HD2 0.09 -0.00 0.02 -0.04 1.69 1.76 2hcbB1 LYS 392 HD3 0.02 -0.03 0.01 -0.04 1.68 1.64 2hcbB1 LYS 392 HE2 0.06 -0.04 -0.02 -0.04 2.99 2.95 2hcbB1 LYS 392 HE3 -0.01 -0.02 -0.01 -0.04 2.99 2.92 2hcbB1 GLN 393 H -0.29 0.40 -0.19 -0.55 8.47 7.85 2hcbB1 GLN 393 HA -0.28 0.02 0.41 -0.75 4.36 3.75 2hcbB1 GLN 393 HB2 -0.40 0.09 0.22 -0.04 2.15 2.02 2hcbB1 GLN 393 HB3 -0.65 -0.05 0.05 -0.04 2.02 1.33 2hcbB1 GLN 393 HG2 -0.73 0.47 0.25 -0.04 2.40 2.36 2hcbB1 GLN 393 HG3 -0.60 -0.07 0.05 -0.04 2.39 1.72 2hcbB1 GLN 393 HE21 -0.37 -0.04 -0.01 -0.04 6.97 6.52 2hcbB1 GLN 393 HE22 -1.37 0.09 0.03 -0.04 7.69 6.40 2hcbB1 ALA 394 H -0.11 0.72 -0.06 -0.55 8.40 8.40 2hcbB1 ALA 394 HA -0.08 0.02 0.34 -0.75 4.34 3.86 2hcbB1 ALA 394 HB3 0.00 0.01 0.03 -0.04 1.41 1.42 2hcbB1 PHE 395 H 0.11 0.65 -0.16 -0.55 8.34 8.39 2hcbB1 PHE 395 HA -0.05 0.02 0.41 -0.75 4.62 4.25 2hcbB1 PHE 395 HB2 -0.05 0.14 0.14 -0.04 3.15 3.34 2hcbB1 PHE 395 HB3 -0.06 0.05 0.07 -0.04 3.06 3.08 2hcbB1 PHE 395 HD2 -0.03 0.01 -0.01 -0.04 7.28 7.20 2hcbB1 PHE 395 HE2 -0.02 -0.00 0.02 -0.04 7.38 7.34 2hcbB1 PHE 395 HZ -0.02 -0.02 0.02 -0.04 7.32 7.26 2hcbB1 ASP 396 H -0.01 0.32 -0.55 -0.55 8.40 7.62 2hcbB1 ASP 396 HA -0.02 0.14 0.94 -0.75 4.63 4.93 2hcbB1 ASP 396 HB2 -0.07 0.09 0.17 -0.04 2.71 2.85 2hcbB1 ASP 396 HB3 -0.04 -0.07 0.02 -0.04 2.70 2.57 2hcbB1 LYS 397 H -0.10 0.98 0.29 -0.55 8.42 9.03 2hcbB1 LYS 397 HA -0.07 0.09 0.60 -0.75 4.32 4.18 2hcbB1 LYS 397 HB2 -0.14 0.01 -0.00 -0.04 1.87 1.70 2hcbB1 LYS 397 HB3 -0.09 -0.04 0.12 -0.04 1.79 1.74 2hcbB1 LYS 397 HG2 -0.11 -0.02 0.01 -0.04 1.46 1.30 2hcbB1 LYS 397 HG3 -0.17 0.03 0.05 -0.04 1.46 1.33 2hcbB1 LYS 397 HD2 -0.44 -0.06 -0.08 -0.04 1.69 1.06 2hcbB1 LYS 397 HD3 -0.18 0.01 -0.03 -0.04 1.68 1.43 2hcbB1 LYS 397 HE2 -0.13 -0.00 -0.01 -0.04 2.99 2.81 2hcbB1 LYS 397 HE3 -0.29 -0.02 0.00 -0.04 2.99 2.64 2hcbB1 ILE 398 H -0.10 0.00 -0.38 -0.55 8.25 7.22 2hcbB1 ILE 398 HA -0.07 0.13 0.78 -0.75 4.18 4.27 2hcbB1 ILE 398 HB -0.07 0.32 0.04 -0.04 1.89 2.14 2hcbB1 ILE 398 HG12 -0.05 -0.08 -0.47 -0.04 1.49 0.84 2hcbB1 ILE 398 HG13 -0.03 -0.10 -0.06 -0.04 1.21 0.99 2hcbB1 ILE 398 HG23 -0.06 -0.03 -0.07 -0.04 0.93 0.72 2hcbB1 ILE 398 HD13 -0.03 0.02 0.08 -0.04 0.88 0.91 2hcbB1 CYS 399 H -0.17 -0.00 -0.39 -0.55 8.50 7.39 2hcbB1 CYS 399 HA -0.21 0.20 0.74 -0.75 4.58 4.56 2hcbB1 CYS 399 HB2 -0.84 0.41 0.21 -0.04 2.97 2.71 2hcbB1 CYS 399 HB3 -0.61 -0.06 0.08 -0.04 2.97 2.34