============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 2 0.840 -36.838 -0.243 -15.030 -99.200 -91.000 PHE 3 1.000 -37.600 -6.803 -23.549 -99.200 -91.000 TYR 10 0.840 -32.912 7.506 -27.587 -99.200 -91.000 PHE 11 1.000 -25.350 4.770 -27.766 -99.200 -91.000 PHE 28 1.000 -27.187 -7.762 -19.729 -99.200 -91.000 PHE 39 1.000 -24.016 2.482 -22.727 -99.200 -91.000 TYR 58 0.840 -21.800 6.904 -23.913 -99.200 -91.000 PHE 62 1.000 -18.216 12.161 -34.588 -99.200 -91.000 PHE 63 1.000 -20.595 3.279 -32.060 -99.200 -91.000 HIS 64 0.900 -12.645 5.396 -30.290 -99.200 -91.000 PHE 70 1.000 -12.483 -7.288 -31.378 -99.200 -91.000 PHE 77 1.000 -18.033 11.704 -22.495 -99.200 -91.000 TYR 89 0.840 -19.991 5.717 -11.123 -99.200 -91.000 PHE 92 1.000 -17.166 2.581 -14.012 -99.200 -91.000 PHE 97 1.000 -14.108 -8.590 -15.041 -99.200 -91.000 TYR 99 0.840 -24.921 -10.658 -17.125 -99.200 -91.000 HIS 101 0.900 -16.465 -9.776 -23.186 -99.200 -91.000 PHE 105 1.000 -26.105 -8.218 -33.165 -99.200 -91.000 PHE 121 1.000 -20.362 2.692 -26.374 -99.200 -91.000 PHE 122 1.000 -15.796 -4.481 -26.006 -99.200 -91.000 TRP 130 1.040 -9.959 -11.832 -27.516 -99.200 -91.000 TRP6 130 1.020 -11.419 -12.737 -29.146 -99.200 -91.000 HIS 135 0.900 -11.696 -5.177 -22.274 -99.200 -91.000 PHE 138 1.000 -21.954 -1.451 -20.418 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2poyB1 LEU 14 HA 0.03 -0.08 0.23 -0.75 4.35 3.78 2poyB1 LEU 14 HB2 -0.06 0.02 0.16 -0.04 1.64 1.71 2poyB1 LEU 14 HB3 -0.03 -0.01 -0.07 -0.04 1.64 1.49 2poyB1 LEU 14 HG 0.01 0.00 -0.00 -0.04 1.64 1.61 2poyB1 LEU 14 HD13 0.01 0.00 0.04 -0.04 0.93 0.95 2poyB1 LEU 14 HD23 -0.00 -0.01 -0.00 -0.04 0.89 0.84 2poyB1 TYR 15 H 0.18 0.12 0.09 -0.55 8.29 8.13 2poyB1 TYR 15 HA 0.08 0.42 0.81 -0.75 4.56 5.12 2poyB1 TYR 15 HB2 0.04 -0.04 0.01 -0.04 3.06 3.03 2poyB1 TYR 15 HB3 0.03 -0.13 -0.26 -0.04 2.98 2.59 2poyB1 TYR 15 HD2 0.03 -0.03 -0.43 -0.04 7.15 6.68 2poyB1 TYR 15 HE2 0.03 -0.00 -0.06 -0.04 6.85 6.77 2poyB1 PHE 16 H 0.23 0.68 0.21 -0.55 8.34 8.91 2poyB1 PHE 16 HA 0.06 0.11 0.77 -0.75 4.62 4.81 2poyB1 PHE 16 HB2 0.02 0.04 -0.10 -0.04 3.15 3.07 2poyB1 PHE 16 HB3 0.02 0.04 0.05 -0.04 3.06 3.13 2poyB1 PHE 16 HD2 0.02 0.02 -0.05 -0.04 7.28 7.23 2poyB1 PHE 16 HE2 0.01 0.01 -0.03 -0.04 7.38 7.33 2poyB1 PHE 16 HZ 0.00 0.01 -0.02 -0.04 7.32 7.27 2poyB1 GLN 17 H -0.46 0.19 0.09 -0.55 8.47 7.73 2poyB1 GLN 17 HA -0.25 0.05 0.31 -0.75 4.36 3.70 2poyB1 GLN 17 HB2 -0.32 0.09 -0.16 -0.04 2.15 1.72 2poyB1 GLN 17 HB3 -0.18 0.02 0.20 -0.04 2.02 2.02 2poyB1 GLN 17 HG2 -0.39 0.02 0.06 -0.04 2.40 2.05 2poyB1 GLN 17 HG3 -1.39 -0.05 -0.01 -0.04 2.39 0.91 2poyB1 GLN 17 HE21 -0.01 0.01 -0.01 -0.04 6.97 6.93 2poyB1 GLN 17 HE22 -0.18 -0.00 0.00 -0.04 7.69 7.47 2poyB1 GLY 18 H 0.02 0.03 -0.48 -0.55 8.43 7.45 2poyB1 GLY 18 HA2 0.01 -0.00 0.21 -0.51 4.01 3.72 2poyB1 GLY 18 HA3 0.02 0.13 0.48 -0.51 4.01 4.14 2poyB1 ASN 19 H 0.17 0.42 -0.25 -0.55 8.53 8.32 2poyB1 ASN 19 HA 0.27 0.17 0.86 -0.75 4.76 5.30 2poyB1 ASN 19 HB2 0.17 0.01 0.05 -0.04 2.88 3.07 2poyB1 ASN 19 HB3 0.14 0.48 0.26 -0.04 2.79 3.63 2poyB1 ASN 19 HD21 0.14 -0.08 -0.04 -0.04 7.03 7.01 2poyB1 ASN 19 HD22 0.21 0.09 -0.07 -0.04 7.74 7.92 2poyB1 PRO 20 HA -0.54 0.31 0.59 -0.51 4.44 4.28 2poyB1 PRO 20 HB2 -0.11 0.04 0.02 -0.04 2.28 2.19 2poyB1 PRO 20 HB3 -0.26 0.06 0.12 -0.04 2.02 1.91 2poyB1 PRO 20 HG2 0.02 -0.05 0.11 -0.04 2.03 2.07 2poyB1 PRO 20 HG3 0.04 0.03 0.07 -0.04 2.03 2.13 2poyB1 PRO 20 HD2 0.12 0.08 0.37 -0.04 3.68 4.21 2poyB1 PRO 20 HD3 0.22 0.15 0.23 -0.04 3.65 4.21 2poyB1 VAL 21 H -0.17 0.43 0.38 -0.55 8.24 8.33 2poyB1 VAL 21 HA -0.05 0.28 1.15 -0.75 4.13 4.76 2poyB1 VAL 21 HB -0.04 0.03 0.04 -0.04 2.12 2.11 2poyB1 VAL 21 HG13 -0.05 -0.02 -0.10 -0.04 0.97 0.77 2poyB1 VAL 21 HG23 0.05 -0.00 -0.15 -0.04 0.95 0.81 2poyB1 VAL 22 H -0.06 0.55 0.43 -0.55 8.24 8.61 2poyB1 VAL 22 HA -0.01 0.19 0.99 -0.75 4.13 4.54 2poyB1 VAL 22 HB -0.15 0.10 0.21 -0.04 2.12 2.24 2poyB1 VAL 22 HG13 -0.02 -0.02 -0.19 -0.04 0.97 0.69 2poyB1 VAL 22 HG23 0.01 -0.01 -0.13 -0.04 0.95 0.78 2poyB1 TYR 23 H -0.30 0.54 0.39 -0.55 8.29 8.37 2poyB1 TYR 23 HA -0.13 0.30 1.18 -0.75 4.56 5.16 2poyB1 TYR 23 HB2 -0.01 0.01 -0.03 -0.04 3.06 2.99 2poyB1 TYR 23 HB3 -0.05 -0.04 -0.18 -0.04 2.98 2.67 2poyB1 TYR 23 HD2 0.01 -0.03 -0.39 -0.04 7.15 6.71 2poyB1 TYR 23 HE2 0.01 0.03 -0.32 -0.04 6.85 6.53 2poyB1 PHE 24 H 0.15 0.70 0.40 -0.55 8.34 9.04 2poyB1 PHE 24 HA -0.05 0.26 0.88 -0.75 4.62 4.96 2poyB1 PHE 24 HB2 0.10 -0.10 0.14 -0.04 3.15 3.26 2poyB1 PHE 24 HB3 0.12 0.07 -0.11 -0.04 3.06 3.09 2poyB1 PHE 24 HD2 0.07 0.06 0.07 -0.04 7.28 7.44 2poyB1 PHE 24 HE2 -0.08 -0.01 -0.10 -0.04 7.38 7.15 2poyB1 PHE 24 HZ -1.12 0.01 -0.12 -0.04 7.32 6.04 2poyB1 ASP 25 H 0.25 0.67 0.25 -0.55 8.40 9.02 2poyB1 ASP 25 HA 0.16 0.20 0.98 -0.75 4.63 5.22 2poyB1 ASP 25 HB2 0.15 -0.08 0.15 -0.04 2.71 2.90 2poyB1 ASP 25 HB3 0.09 0.03 0.02 -0.04 2.70 2.81 2poyB1 ILE 26 H 0.09 0.64 0.32 -0.55 8.25 8.75 2poyB1 ILE 26 HA 0.07 0.36 1.04 -0.75 4.18 4.89 2poyB1 ILE 26 HB 0.05 -0.05 -0.04 -0.04 1.89 1.81 2poyB1 ILE 26 HG12 0.16 -0.01 -0.28 -0.04 1.49 1.32 2poyB1 ILE 26 HG13 0.08 -0.04 -0.21 -0.04 1.21 1.00 2poyB1 ILE 26 HG23 0.03 0.00 -0.28 -0.04 0.93 0.64 2poyB1 ILE 26 HD13 0.22 0.03 -0.24 -0.04 0.88 0.85 2poyB1 SER 27 H 0.04 0.56 0.35 -0.55 8.46 8.86 2poyB1 SER 27 HA 0.04 0.11 0.92 -0.75 4.49 4.81 2poyB1 SER 27 HB2 0.04 -0.07 0.05 -0.04 3.95 3.93 2poyB1 SER 27 HB3 0.04 0.26 -0.28 -0.04 3.93 3.91 2poyB1 ILE 28 H 0.04 0.68 0.11 -0.55 8.25 8.53 2poyB1 ILE 28 HA 0.06 0.15 0.82 -0.75 4.18 4.46 2poyB1 ILE 28 HB 0.02 -0.00 0.07 -0.04 1.89 1.94 2poyB1 ILE 28 HG12 0.02 0.03 -0.12 -0.04 1.49 1.38 2poyB1 ILE 28 HG13 0.02 -0.10 -0.38 -0.04 1.21 0.71 2poyB1 ILE 28 HG23 0.03 -0.00 -0.15 -0.04 0.93 0.76 2poyB1 ILE 28 HD13 0.00 0.02 -0.23 -0.04 0.88 0.63 2poyB1 GLY 29 H 0.07 0.59 0.20 -0.55 8.43 8.74 2poyB1 GLY 29 HA2 0.06 0.02 0.36 -0.51 4.01 3.95 2poyB1 GLY 29 HA3 0.04 -0.04 0.65 -0.51 4.01 4.14 2poyB1 GLN 30 H 0.03 0.09 0.19 -0.55 8.47 8.24 2poyB1 GLN 30 HA 0.04 0.13 0.50 -0.75 4.36 4.28 2poyB1 GLN 30 HB2 0.03 -0.04 0.13 -0.04 2.15 2.22 2poyB1 GLN 30 HB3 0.02 0.02 -0.04 -0.04 2.02 1.98 2poyB1 GLN 30 HG2 0.02 -0.02 0.02 -0.04 2.40 2.39 2poyB1 GLN 30 HG3 0.02 0.02 0.09 -0.04 2.39 2.48 2poyB1 GLN 30 HE21 0.03 0.00 -0.02 -0.04 6.97 6.94 2poyB1 GLN 30 HE22 0.02 -0.01 0.00 -0.04 7.69 7.67 2poyB1 THR 31 H 0.03 0.34 -0.12 -0.55 8.28 7.98 2poyB1 THR 31 HA 0.02 0.10 0.46 -0.75 4.39 4.22 2poyB1 THR 31 HB 0.02 0.07 0.14 -0.04 4.32 4.51 2poyB1 THR 31 HG23 0.01 0.04 -0.08 -0.04 1.22 1.15 2poyB1 PRO 32 HA 0.02 0.08 0.70 -0.51 4.44 4.73 2poyB1 PRO 32 HB2 0.01 -0.02 0.08 -0.04 2.28 2.31 2poyB1 PRO 32 HB3 0.02 -0.01 0.11 -0.04 2.02 2.10 2poyB1 PRO 32 HG2 0.01 -0.00 0.11 -0.04 2.03 2.11 2poyB1 PRO 32 HG3 0.02 0.08 0.11 -0.04 2.03 2.19 2poyB1 PRO 32 HD2 0.01 0.03 0.25 -0.04 3.68 3.94 2poyB1 PRO 32 HD3 0.02 0.32 0.35 -0.04 3.65 4.30 2poyB1 ALA 33 H 0.03 0.85 0.52 -0.55 8.40 9.24 2poyB1 ALA 33 HA 0.01 0.17 0.79 -0.75 4.34 4.56 2poyB1 ALA 33 HB3 0.02 -0.01 -0.08 -0.04 1.41 1.29 2poyB1 GLY 34 H 0.03 0.12 0.15 -0.55 8.43 8.18 2poyB1 GLY 34 HA2 0.01 0.02 0.30 -0.51 4.01 3.83 2poyB1 GLY 34 HA3 0.01 0.18 0.90 -0.51 4.01 4.58 2poyB1 ARG 35 H 0.01 0.14 0.19 -0.55 8.46 8.25 2poyB1 ARG 35 HA 0.11 0.35 1.07 -0.75 4.34 5.12 2poyB1 ARG 35 HB2 0.00 -0.02 -0.03 -0.04 1.90 1.81 2poyB1 ARG 35 HB3 -0.01 -0.06 0.07 -0.04 1.80 1.75 2poyB1 ARG 35 HG2 0.04 -0.05 -0.35 -0.04 1.67 1.27 2poyB1 ARG 35 HG3 0.17 0.10 -0.15 -0.04 1.67 1.75 2poyB1 ARG 35 HD2 -0.11 -0.03 -0.09 -0.04 3.22 2.95 2poyB1 ARG 35 HD3 -0.17 0.00 -0.15 -0.04 3.22 2.86 2poyB1 ILE 36 H 0.16 0.77 0.37 -0.55 8.25 8.99 2poyB1 ILE 36 HA 0.00 0.16 1.03 -0.75 4.18 4.62 2poyB1 ILE 36 HB 0.19 -0.04 0.16 -0.04 1.89 2.15 2poyB1 ILE 36 HG12 0.04 0.03 0.00 -0.04 1.49 1.52 2poyB1 ILE 36 HG13 0.10 -0.00 -0.18 -0.04 1.21 1.09 2poyB1 ILE 36 HG23 0.01 -0.01 -0.19 -0.04 0.93 0.69 2poyB1 ILE 36 HD13 0.16 0.00 -0.16 -0.04 0.88 0.85 2poyB1 THR 37 H -0.05 0.81 0.30 -0.55 8.28 8.79 2poyB1 THR 37 HA -0.01 0.30 1.09 -0.75 4.39 5.01 2poyB1 THR 37 HB -0.10 -0.17 0.17 -0.04 4.32 4.19 2poyB1 THR 37 HG23 -0.08 0.02 -0.10 -0.04 1.22 1.03 2poyB1 MET 38 H -0.10 0.82 0.41 -0.55 8.47 9.05 2poyB1 MET 38 HA -0.15 0.12 1.13 -0.75 4.52 4.86 2poyB1 MET 38 HB2 -0.19 -0.01 -0.04 -0.04 2.15 1.86 2poyB1 MET 38 HB3 -0.28 0.06 -0.15 -0.04 2.03 1.62 2poyB1 MET 38 HG2 -0.21 0.01 -0.29 -0.04 2.63 2.10 2poyB1 MET 38 HG3 -0.16 -0.11 -0.61 -0.04 2.56 1.64 2poyB1 MET 38 HE3 -0.90 0.02 -0.26 -0.04 2.10 0.93 2poyB1 GLU 39 H -0.15 0.48 0.34 -0.55 8.60 8.73 2poyB1 GLU 39 HA -0.05 0.33 1.01 -0.75 4.29 4.82 2poyB1 GLU 39 HB2 0.09 -0.04 0.06 -0.04 2.09 2.15 2poyB1 GLU 39 HB3 -0.01 -0.07 0.12 -0.04 1.99 1.99 2poyB1 GLU 39 HG2 0.09 0.00 -0.27 -0.04 2.34 2.12 2poyB1 GLU 39 HG3 0.15 0.12 0.00 -0.04 2.34 2.57 2poyB1 LEU 40 H -0.06 0.70 0.26 -0.55 8.37 8.73 2poyB1 LEU 40 HA -0.35 0.18 1.00 -0.75 4.35 4.42 2poyB1 LEU 40 HB2 0.02 -0.02 0.12 -0.04 1.64 1.72 2poyB1 LEU 40 HB3 0.06 -0.03 0.05 -0.04 1.64 1.68 2poyB1 LEU 40 HG -0.03 0.05 -0.19 -0.04 1.64 1.43 2poyB1 LEU 40 HD13 0.17 0.03 -0.10 -0.04 0.93 1.00 2poyB1 LEU 40 HD23 -0.14 0.01 -0.23 -0.04 0.89 0.49 2poyB1 PHE 41 H -0.27 0.81 0.19 -0.55 8.34 8.52 2poyB1 PHE 41 HA 0.01 0.13 0.47 -0.75 4.62 4.48 2poyB1 PHE 41 HB2 0.03 0.03 0.11 -0.04 3.15 3.28 2poyB1 PHE 41 HB3 0.07 -0.07 0.09 -0.04 3.06 3.11 2poyB1 PHE 41 HD2 -0.33 0.03 -0.25 -0.04 7.28 6.68 2poyB1 PHE 41 HE2 -0.36 0.04 -0.15 -0.04 7.38 6.87 2poyB1 PHE 41 HZ -0.27 0.04 -0.21 -0.04 7.32 6.84 2poyB1 ALA 42 H 0.16 0.61 -0.10 -0.55 8.40 8.52 2poyB1 ALA 42 HA 0.13 -0.01 0.07 -0.75 4.34 3.78 2poyB1 ALA 42 HB3 0.12 0.04 0.05 -0.04 1.41 1.57 2poyB1 ASP 43 H 0.16 0.10 -0.28 -0.55 8.40 7.83 2poyB1 ASP 43 HA 0.08 0.11 0.46 -0.75 4.63 4.52 2poyB1 ASP 43 HB2 0.05 0.03 0.04 -0.04 2.71 2.79 2poyB1 ASP 43 HB3 0.08 0.05 0.04 -0.04 2.70 2.84 2poyB1 LYS 44 H 0.19 0.20 -0.24 -0.55 8.42 8.02 2poyB1 LYS 44 HA 0.05 0.22 0.77 -0.75 4.32 4.61 2poyB1 LYS 44 HB2 0.29 0.01 0.02 -0.04 1.87 2.14 2poyB1 LYS 44 HB3 -0.02 -0.04 0.05 -0.04 1.79 1.73 2poyB1 LYS 44 HG2 0.08 -0.06 -0.18 -0.04 1.46 1.26 2poyB1 LYS 44 HG3 -0.05 0.00 -0.05 -0.04 1.46 1.32 2poyB1 LYS 44 HD2 -0.06 -0.02 0.01 -0.04 1.69 1.57 2poyB1 LYS 44 HD3 0.00 0.13 -0.08 -0.04 1.68 1.69 2poyB1 LYS 44 HE2 -0.02 0.01 -0.02 -0.04 2.99 2.91 2poyB1 LYS 44 HE3 0.00 0.00 -0.08 -0.04 2.99 2.87 2poyB1 VAL 45 H 0.19 0.44 0.02 -0.55 8.24 8.34 2poyB1 VAL 45 HA 0.09 0.13 0.74 -0.75 4.13 4.33 2poyB1 VAL 45 HB 0.26 0.02 -0.16 -0.04 2.12 2.20 2poyB1 VAL 45 HG13 0.29 0.04 0.11 -0.04 0.97 1.37 2poyB1 VAL 45 HG23 0.12 -0.02 0.04 -0.04 0.95 1.06 2poyB1 PRO 46 HA 0.08 -0.00 0.32 -0.51 4.44 4.32 2poyB1 PRO 46 HB2 0.03 0.00 -0.02 -0.04 2.28 2.25 2poyB1 PRO 46 HB3 0.05 0.27 0.12 -0.04 2.02 2.43 2poyB1 PRO 46 HG2 0.02 -0.07 0.05 -0.04 2.03 1.99 2poyB1 PRO 46 HG3 0.03 0.12 0.01 -0.04 2.03 2.15 2poyB1 PRO 46 HD2 0.04 0.14 -0.11 -0.04 3.68 3.71 2poyB1 PRO 46 HD3 0.06 0.22 -0.37 -0.04 3.65 3.52 2poyB1 ILE 47 H 0.02 0.17 -0.12 -0.55 8.25 7.77 2poyB1 ILE 47 HA -0.01 0.12 0.42 -0.75 4.18 3.96 2poyB1 ILE 47 HB -0.03 -0.03 0.08 -0.04 1.89 1.88 2poyB1 ILE 47 HG12 -0.12 0.04 -0.00 -0.04 1.49 1.36 2poyB1 ILE 47 HG13 -0.05 -0.03 0.03 -0.04 1.21 1.12 2poyB1 ILE 47 HG23 -0.48 0.02 -0.09 -0.04 0.93 0.34 2poyB1 ILE 47 HD13 -0.13 0.02 0.01 -0.04 0.88 0.73 2poyB1 THR 48 H 0.08 0.08 -0.15 -0.55 8.28 7.74 2poyB1 THR 48 HA 0.15 0.09 0.45 -0.75 4.39 4.33 2poyB1 THR 48 HB 0.09 0.10 0.07 -0.04 4.32 4.54 2poyB1 THR 48 HG23 -0.22 0.01 -0.09 -0.04 1.22 0.89 2poyB1 ALA 49 H 0.07 0.59 -0.11 -0.55 8.40 8.41 2poyB1 ALA 49 HA 0.11 0.04 0.30 -0.75 4.34 4.03 2poyB1 ALA 49 HB3 0.11 0.01 -0.12 -0.04 1.41 1.38 2poyB1 GLU 50 H 0.04 0.52 -0.25 -0.55 8.60 8.37 2poyB1 GLU 50 HA 0.02 -0.00 0.36 -0.75 4.29 3.91 2poyB1 GLU 50 HB2 0.04 0.09 0.14 -0.04 2.09 2.32 2poyB1 GLU 50 HB3 0.07 0.09 0.12 -0.04 1.99 2.23 2poyB1 GLU 50 HG2 0.04 0.01 -0.02 -0.04 2.34 2.33 2poyB1 GLU 50 HG3 -0.02 -0.02 -0.17 -0.04 2.34 2.09 2poyB1 ASN 51 H -0.04 0.50 -0.16 -0.55 8.53 8.28 2poyB1 ASN 51 HA -0.31 -0.03 0.58 -0.75 4.76 4.25 2poyB1 ASN 51 HB2 -0.39 0.04 0.15 -0.04 2.88 2.64 2poyB1 ASN 51 HB3 -0.03 0.15 0.17 -0.04 2.79 3.04 2poyB1 ASN 51 HD21 0.29 0.30 0.09 -0.04 7.03 7.66 2poyB1 ASN 51 HD22 0.27 -0.02 -0.05 -0.04 7.74 7.90 2poyB1 PHE 52 H 0.07 0.51 -0.12 -0.55 8.34 8.25 2poyB1 PHE 52 HA 0.10 0.03 0.35 -0.75 4.62 4.36 2poyB1 PHE 52 HB2 -0.25 0.04 0.04 -0.04 3.15 2.95 2poyB1 PHE 52 HB3 0.04 0.09 0.07 -0.04 3.06 3.22 2poyB1 PHE 52 HD2 0.11 0.05 -0.19 -0.04 7.28 7.20 2poyB1 PHE 52 HE2 -1.01 -0.01 -0.16 -0.04 7.38 6.16 2poyB1 PHE 52 HZ -0.81 -0.02 -0.17 -0.04 7.32 6.27 2poyB1 ARG 53 H 0.10 0.56 -0.16 -0.55 8.46 8.41 2poyB1 ARG 53 HA 0.01 0.02 0.34 -0.75 4.34 3.95 2poyB1 ARG 53 HB2 0.05 0.07 0.06 -0.04 1.90 2.04 2poyB1 ARG 53 HB3 -0.01 0.04 0.09 -0.04 1.80 1.88 2poyB1 ARG 53 HG2 -0.04 -0.05 -0.09 -0.04 1.67 1.45 2poyB1 ARG 53 HG3 -0.02 0.00 -0.05 -0.04 1.67 1.56 2poyB1 ARG 53 HD2 -0.04 0.02 -0.03 -0.04 3.22 3.13 2poyB1 ARG 53 HD3 -0.02 -0.02 -0.03 -0.04 3.22 3.11 2poyB1 ALA 54 H -0.09 0.65 -0.04 -0.55 8.40 8.38 2poyB1 ALA 54 HA -0.11 -0.02 0.49 -0.75 4.34 3.94 2poyB1 ALA 54 HB3 -0.15 0.01 0.13 -0.04 1.41 1.37 2poyB1 LEU 55 H -0.22 0.57 -0.19 -0.55 8.37 7.98 2poyB1 LEU 55 HA -0.41 0.20 0.46 -0.75 4.35 3.84 2poyB1 LEU 55 HB2 -0.51 0.12 0.09 -0.04 1.64 1.29 2poyB1 LEU 55 HB3 -1.33 -0.11 -0.04 -0.04 1.64 0.11 2poyB1 LEU 55 HG -0.21 0.12 0.03 -0.04 1.64 1.54 2poyB1 LEU 55 HD13 -0.00 -0.02 -0.04 -0.04 0.93 0.84 2poyB1 LEU 55 HD23 -0.25 0.02 -0.19 -0.04 0.89 0.42 2poyB1 CYS 56 H -0.24 0.44 -0.28 -0.55 8.50 7.87 2poyB1 CYS 56 HA -0.01 -0.04 0.63 -0.75 4.58 4.40 2poyB1 CYS 56 HB2 -0.15 0.21 0.21 -0.04 2.97 3.20 2poyB1 CYS 56 HB3 -0.18 -0.09 0.15 -0.04 2.97 2.80 2poyB1 THR 57 H -0.16 0.30 -0.18 -0.55 8.28 7.70 2poyB1 THR 57 HA -0.11 0.17 0.58 -0.75 4.39 4.28 2poyB1 THR 57 HB -0.07 -0.01 0.13 -0.04 4.32 4.33 2poyB1 THR 57 HG23 -0.07 0.02 0.00 -0.04 1.22 1.13 2poyB1 GLY 58 H -0.20 0.40 0.07 -0.55 8.43 8.15 2poyB1 GLY 58 HA2 -0.22 0.41 0.39 -0.51 4.01 4.08 2poyB1 GLY 58 HA3 -0.16 0.04 0.45 -0.51 4.01 3.83 2poyB1 GLU 59 H -0.11 0.11 -0.22 -0.55 8.60 7.83 2poyB1 GLU 59 HA -0.07 0.10 0.30 -0.75 4.29 3.86 2poyB1 GLU 59 HB2 -0.05 0.00 0.08 -0.04 2.09 2.08 2poyB1 GLU 59 HB3 -0.06 0.02 0.07 -0.04 1.99 1.97 2poyB1 GLU 59 HG2 -0.10 -0.01 0.12 -0.04 2.34 2.31 2poyB1 GLU 59 HG3 -0.07 0.04 -0.17 -0.04 2.34 2.09 2poyB1 LYS 60 H -0.12 0.11 -0.30 -0.55 8.42 7.56 2poyB1 LYS 60 HA -0.07 0.11 0.63 -0.75 4.32 4.24 2poyB1 LYS 60 HB2 -0.13 0.05 -0.03 -0.04 1.87 1.73 2poyB1 LYS 60 HB3 -0.09 0.04 0.10 -0.04 1.79 1.80 2poyB1 LYS 60 HG2 -0.13 -0.08 -0.00 -0.04 1.46 1.21 2poyB1 LYS 60 HG3 -0.16 -0.04 0.01 -0.04 1.46 1.24 2poyB1 LYS 60 HD2 -0.07 0.05 0.01 -0.04 1.69 1.64 2poyB1 LYS 60 HD3 -0.07 0.02 -0.15 -0.04 1.68 1.44 2poyB1 LYS 60 HE2 -0.09 -0.05 -0.02 -0.04 2.99 2.79 2poyB1 LYS 60 HE3 -0.11 -0.01 -0.02 -0.04 2.99 2.81 2poyB1 GLY 61 H -0.10 0.41 -0.26 -0.55 8.43 7.94 2poyB1 GLY 61 HA2 -0.07 0.05 0.28 -0.51 4.01 3.75 2poyB1 GLY 61 HA3 -0.06 0.06 0.45 -0.51 4.01 3.96 2poyB1 MET 62 H -0.04 0.09 0.15 -0.55 8.47 8.13 2poyB1 MET 62 HA -0.05 -0.03 0.43 -0.75 4.52 4.12 2poyB1 MET 62 HB2 -0.02 -0.01 0.07 -0.04 2.15 2.14 2poyB1 MET 62 HB3 -0.01 0.10 -0.05 -0.04 2.03 2.02 2poyB1 MET 62 HG2 -0.03 -0.06 0.04 -0.04 2.63 2.53 2poyB1 MET 62 HG3 -0.02 0.02 -0.03 -0.04 2.56 2.49 2poyB1 MET 62 HE3 -0.01 0.02 -0.37 -0.04 2.10 1.70 2poyB1 GLY 63 H -0.00 0.79 0.30 -0.55 8.43 8.97 2poyB1 GLY 63 HA2 0.01 0.19 0.68 -0.51 4.01 4.39 2poyB1 GLY 63 HA3 0.07 -0.02 0.32 -0.51 4.01 3.86 2poyB1 GLN 64 H 0.03 0.20 0.14 -0.55 8.47 8.30 2poyB1 GLN 64 HA 0.02 0.14 0.42 -0.75 4.36 4.19 2poyB1 GLN 64 HB2 0.03 -0.00 0.11 -0.04 2.15 2.25 2poyB1 GLN 64 HB3 0.02 0.03 0.04 -0.04 2.02 2.07 2poyB1 GLN 64 HG2 0.01 0.02 0.04 -0.04 2.40 2.43 2poyB1 GLN 64 HG3 0.02 0.00 0.03 -0.04 2.39 2.40 2poyB1 GLN 64 HE21 0.02 0.01 0.02 -0.04 6.97 6.98 2poyB1 GLN 64 HE22 0.02 -0.01 0.01 -0.04 7.69 7.67 2poyB1 SER 65 H 0.05 0.01 -0.25 -0.55 8.46 7.72 2poyB1 SER 65 HA 0.02 0.13 0.42 -0.75 4.49 4.30 2poyB1 SER 65 HB2 0.04 0.06 0.03 -0.04 3.95 4.04 2poyB1 SER 65 HB3 0.03 0.01 0.03 -0.04 3.93 3.96 2poyB1 GLY 66 H 0.03 0.34 -0.57 -0.55 8.43 7.67 2poyB1 GLY 66 HA2 0.01 0.03 0.23 -0.51 4.01 3.77 2poyB1 GLY 66 HA3 0.02 0.11 0.60 -0.51 4.01 4.23 2poyB1 LYS 67 H 0.06 -0.07 -0.22 -0.55 8.42 7.63 2poyB1 LYS 67 HA 0.03 0.26 0.85 -0.75 4.32 4.71 2poyB1 LYS 67 HB2 0.15 -0.19 -0.06 -0.04 1.87 1.73 2poyB1 LYS 67 HB3 0.24 0.13 -0.07 -0.04 1.79 2.04 2poyB1 LYS 67 HG2 0.16 0.39 0.21 -0.04 1.46 2.19 2poyB1 LYS 67 HG3 0.07 0.01 0.13 -0.04 1.46 1.63 2poyB1 LYS 67 HD2 0.05 0.05 -0.32 -0.04 1.69 1.43 2poyB1 LYS 67 HD3 0.06 -0.05 -0.02 -0.04 1.68 1.64 2poyB1 LYS 67 HE2 0.06 0.01 -0.01 -0.04 2.99 3.02 2poyB1 LYS 67 HE3 0.05 -0.02 0.01 -0.04 2.99 2.99 2poyB1 PRO 68 HA -0.11 0.03 0.47 -0.51 4.44 4.33 2poyB1 PRO 68 HB2 -0.21 0.05 -0.11 -0.04 2.28 1.97 2poyB1 PRO 68 HB3 -0.11 0.01 0.02 -0.04 2.02 1.90 2poyB1 PRO 68 HG2 -0.16 0.11 0.08 -0.04 2.03 2.02 2poyB1 PRO 68 HG3 -0.08 0.05 0.05 -0.04 2.03 2.01 2poyB1 PRO 68 HD2 -0.02 0.15 0.24 -0.04 3.68 4.01 2poyB1 PRO 68 HD3 -0.03 0.14 0.15 -0.04 3.65 3.87 2poyB1 LEU 69 H -0.20 0.74 0.16 -0.55 8.37 8.53 2poyB1 LEU 69 HA -0.61 0.03 0.58 -0.75 4.35 3.60 2poyB1 LEU 69 HB2 -0.18 0.13 0.04 -0.04 1.64 1.60 2poyB1 LEU 69 HB3 -0.20 -0.10 0.00 -0.04 1.64 1.30 2poyB1 LEU 69 HG -0.04 -0.05 -0.20 -0.04 1.64 1.30 2poyB1 LEU 69 HD13 -0.06 0.01 -0.22 -0.04 0.93 0.62 2poyB1 LEU 69 HD23 0.12 -0.04 -0.22 -0.04 0.89 0.72 2poyB1 CYS 70 H -1.35 0.48 -0.01 -0.55 8.50 7.07 2poyB1 CYS 70 HA -0.50 0.31 0.84 -0.75 4.58 4.48 2poyB1 CYS 70 HB2 -0.29 0.01 -0.46 -0.04 2.97 2.19 2poyB1 CYS 70 HB3 -0.30 0.04 -0.16 -0.04 2.97 2.51 2poyB1 TYR 71 H -0.29 0.63 0.24 -0.55 8.29 8.31 2poyB1 TYR 71 HA -0.04 0.02 0.48 -0.75 4.56 4.27 2poyB1 TYR 71 HB2 -0.11 0.07 0.03 -0.04 3.06 3.00 2poyB1 TYR 71 HB3 -0.28 -0.08 -0.01 -0.04 2.98 2.58 2poyB1 TYR 71 HD2 0.03 -0.03 -0.11 -0.04 7.15 7.00 2poyB1 TYR 71 HE2 -0.45 0.05 -0.01 -0.04 6.85 6.40 2poyB1 THR 72 H -0.10 0.08 -0.21 -0.55 8.28 7.50 2poyB1 THR 72 HA -0.09 0.03 0.28 -0.75 4.39 3.86 2poyB1 THR 72 HB -0.10 -0.00 0.04 -0.04 4.32 4.23 2poyB1 THR 72 HG23 -0.05 0.04 -0.15 -0.04 1.22 1.01 2poyB1 GLY 73 H -0.15 0.89 0.42 -0.55 8.43 9.04 2poyB1 GLY 73 HA2 -0.21 -0.04 0.30 -0.51 4.01 3.56 2poyB1 GLY 73 HA3 -0.11 0.06 0.40 -0.51 4.01 3.85 2poyB1 SER 74 H -0.14 0.50 -0.17 -0.55 8.46 8.11 2poyB1 SER 74 HA -0.05 0.15 0.74 -0.75 4.49 4.58 2poyB1 SER 74 HB2 0.11 -0.16 -0.03 -0.04 3.95 3.83 2poyB1 SER 74 HB3 0.14 0.11 -0.02 -0.04 3.93 4.11 2poyB1 PHE 75 H 0.20 0.12 0.18 -0.55 8.34 8.29 2poyB1 PHE 75 HA 0.02 0.28 1.11 -0.75 4.62 5.28 2poyB1 PHE 75 HB2 0.04 -0.03 -0.02 -0.04 3.15 3.10 2poyB1 PHE 75 HB3 0.07 0.08 0.03 -0.04 3.06 3.19 2poyB1 PHE 75 HD2 0.04 -0.07 -0.19 -0.04 7.28 7.02 2poyB1 PHE 75 HE2 0.02 0.01 -0.09 -0.04 7.38 7.28 2poyB1 PHE 75 HZ 0.02 -0.02 -0.07 -0.04 7.32 7.22 2poyB1 PHE 76 H 0.37 0.57 0.26 -0.55 8.34 8.99 2poyB1 PHE 76 HA -0.04 0.06 0.91 -0.75 4.62 4.80 2poyB1 PHE 76 HB2 0.03 0.02 0.19 -0.04 3.15 3.35 2poyB1 PHE 76 HB3 -0.04 0.03 0.02 -0.04 3.06 3.03 2poyB1 PHE 76 HD2 -0.04 0.04 -0.32 -0.04 7.28 6.92 2poyB1 PHE 76 HE2 0.07 0.01 -0.24 -0.04 7.38 7.17 2poyB1 PHE 76 HZ 0.43 -0.01 -0.18 -0.04 7.32 7.52 2poyB1 HIS 77 H 0.03 0.14 0.21 -0.55 8.41 8.25 2poyB1 HIS 77 HA 0.05 0.12 0.45 -0.75 4.63 4.50 2poyB1 HIS 77 HB2 -0.00 0.08 0.14 -0.04 3.26 3.44 2poyB1 HIS 77 HB3 0.01 -0.02 0.02 -0.04 3.20 3.17 2poyB1 HIS 77 HD2 -0.01 0.13 -0.37 -0.04 6.97 6.67 2poyB1 HIS 77 HE1 -0.09 0.03 -0.18 -0.04 7.75 7.46 2poyB1 ARG 78 H -0.27 0.28 -0.12 -0.55 8.46 7.80 2poyB1 ARG 78 HA -0.05 0.45 0.84 -0.75 4.34 4.82 2poyB1 ARG 78 HB2 -0.18 0.04 -0.21 -0.04 1.90 1.50 2poyB1 ARG 78 HB3 -0.38 -0.13 0.03 -0.04 1.80 1.27 2poyB1 ARG 78 HG2 -0.08 -0.07 -0.21 -0.04 1.67 1.27 2poyB1 ARG 78 HG3 -0.02 0.09 0.02 -0.04 1.67 1.72 2poyB1 ARG 78 HD2 0.03 0.05 -0.06 -0.04 3.22 3.20 2poyB1 ARG 78 HD3 -0.04 -0.08 -0.09 -0.04 3.22 2.98 2poyB1 ILE 79 H -0.01 0.75 0.22 -0.55 8.25 8.66 2poyB1 ILE 79 HA -0.03 0.09 1.05 -0.75 4.18 4.54 2poyB1 ILE 79 HB 0.01 0.05 -0.05 -0.04 1.89 1.86 2poyB1 ILE 79 HG12 0.03 -0.11 -0.16 -0.04 1.49 1.21 2poyB1 ILE 79 HG13 0.04 -0.06 -0.57 -0.04 1.21 0.58 2poyB1 ILE 79 HG23 -0.01 0.02 -0.26 -0.04 0.93 0.64 2poyB1 ILE 79 HD13 0.04 0.05 -0.04 -0.04 0.88 0.89 2poyB1 ILE 80 H -0.01 0.63 0.25 -0.55 8.25 8.57 2poyB1 ILE 80 HA 0.06 0.31 0.96 -0.75 4.18 4.75 2poyB1 ILE 80 HB 0.26 -0.13 0.11 -0.04 1.89 2.09 2poyB1 ILE 80 HG12 0.08 0.15 -0.08 -0.04 1.49 1.60 2poyB1 ILE 80 HG13 0.06 -0.14 -0.49 -0.04 1.21 0.59 2poyB1 ILE 80 HG23 0.20 0.03 -0.08 -0.04 0.93 1.04 2poyB1 ILE 80 HD13 0.20 -0.00 -0.13 -0.04 0.88 0.90 2poyB1 PRO 81 HA 0.04 0.00 0.47 -0.51 4.44 4.44 2poyB1 PRO 81 HB2 0.03 -0.01 -0.09 -0.04 2.28 2.17 2poyB1 PRO 81 HB3 0.03 0.03 0.01 -0.04 2.02 2.05 2poyB1 PRO 81 HG2 0.02 0.01 -0.14 -0.04 2.03 1.88 2poyB1 PRO 81 HG3 0.02 0.21 -0.05 -0.04 2.03 2.17 2poyB1 PRO 81 HD2 0.04 0.08 -0.09 -0.04 3.68 3.67 2poyB1 PRO 81 HD3 0.03 0.09 -0.03 -0.04 3.65 3.69 2poyB1 GLN 82 H 0.05 0.11 0.10 -0.55 8.47 8.18 2poyB1 GLN 82 HA 0.06 0.02 0.23 -0.75 4.36 3.92 2poyB1 GLN 82 HB2 0.06 0.20 -0.14 -0.04 2.15 2.23 2poyB1 GLN 82 HB3 0.06 -0.00 0.19 -0.04 2.02 2.23 2poyB1 GLN 82 HG2 0.03 0.00 -0.03 -0.04 2.40 2.36 2poyB1 GLN 82 HG3 0.03 0.01 0.01 -0.04 2.39 2.40 2poyB1 GLN 82 HE21 0.02 0.04 -0.06 -0.04 6.97 6.94 2poyB1 GLN 82 HE22 0.03 0.02 -0.00 -0.04 7.69 7.69 2poyB1 PHE 83 H 0.14 0.10 -0.28 -0.55 8.34 7.75 2poyB1 PHE 83 HA 0.09 0.10 0.65 -0.75 4.62 4.71 2poyB1 PHE 83 HB2 0.08 0.11 -0.25 -0.04 3.15 3.04 2poyB1 PHE 83 HB3 0.03 0.09 -0.04 -0.04 3.06 3.11 2poyB1 PHE 83 HD2 0.07 0.01 -0.04 -0.04 7.28 7.28 2poyB1 PHE 83 HE2 -0.06 -0.02 -0.09 -0.04 7.38 7.16 2poyB1 PHE 83 HZ -0.09 -0.02 -0.10 -0.04 7.32 7.08 2poyB1 MET 84 H -0.08 0.60 0.28 -0.55 8.47 8.72 2poyB1 MET 84 HA -0.10 0.10 0.80 -0.75 4.52 4.58 2poyB1 MET 84 HB2 -0.08 0.03 -0.13 -0.04 2.15 1.92 2poyB1 MET 84 HB3 -0.45 0.05 -0.35 -0.04 2.03 1.24 2poyB1 MET 84 HG2 -1.75 0.01 -0.23 -0.04 2.63 0.61 2poyB1 MET 84 HG3 -1.64 -0.05 -0.15 -0.04 2.56 0.67 2poyB1 MET 84 HE3 -0.23 -0.02 -0.22 -0.04 2.10 1.59 2poyB1 ILE 85 H 0.01 0.54 0.32 -0.55 8.25 8.57 2poyB1 ILE 85 HA -0.02 0.23 0.97 -0.75 4.18 4.60 2poyB1 ILE 85 HB -0.10 0.05 0.02 -0.04 1.89 1.81 2poyB1 ILE 85 HG12 0.02 0.09 0.11 -0.04 1.49 1.67 2poyB1 ILE 85 HG13 0.18 -0.10 -0.02 -0.04 1.21 1.23 2poyB1 ILE 85 HG23 -0.08 0.00 -0.21 -0.04 0.93 0.60 2poyB1 ILE 85 HD13 -0.48 0.01 -0.06 -0.04 0.88 0.31 2poyB1 GLN 86 H 0.03 0.76 0.35 -0.55 8.47 9.06 2poyB1 GLN 86 HA -0.08 0.21 1.25 -0.75 4.36 4.99 2poyB1 GLN 86 HB2 -0.17 -0.05 -0.12 -0.04 2.15 1.77 2poyB1 GLN 86 HB3 -0.30 0.06 0.14 -0.04 2.02 1.87 2poyB1 GLN 86 HG2 -0.31 -0.08 -0.20 -0.04 2.40 1.76 2poyB1 GLN 86 HG3 -0.09 0.14 0.02 -0.04 2.39 2.42 2poyB1 GLN 86 HE21 0.09 0.04 -0.06 -0.04 6.97 7.00 2poyB1 GLN 86 HE22 0.13 -0.03 -0.08 -0.04 7.69 7.67 2poyB1 GLY 87 H -0.84 0.56 0.32 -0.55 8.43 7.92 2poyB1 GLY 87 HA2 -0.31 0.09 0.91 -0.51 4.01 4.19 2poyB1 GLY 87 HA3 -1.12 0.04 0.37 -0.51 4.01 2.79 2poyB1 GLY 88 H -0.24 0.28 0.13 -0.55 8.43 8.04 2poyB1 GLY 88 HA2 0.36 0.09 0.25 -0.51 4.01 4.20 2poyB1 GLY 88 HA3 0.21 0.24 0.45 -0.51 4.01 4.40 2poyB1 ASP 89 H 0.02 0.19 -0.17 -0.55 8.40 7.89 2poyB1 ASP 89 HA -0.19 0.17 0.66 -0.75 4.63 4.51 2poyB1 ASP 89 HB2 -0.20 0.21 -0.07 -0.04 2.71 2.61 2poyB1 ASP 89 HB3 -0.26 0.10 0.11 -0.04 2.70 2.61 2poyB1 PHE 90 H -0.54 0.39 0.04 -0.55 8.34 7.68 2poyB1 PHE 90 HA 0.04 0.17 0.55 -0.75 4.62 4.63 2poyB1 PHE 90 HB2 -0.00 0.16 0.16 -0.04 3.15 3.42 2poyB1 PHE 90 HB3 0.05 -0.01 0.00 -0.04 3.06 3.05 2poyB1 PHE 90 HD2 0.03 -0.01 -0.21 -0.04 7.28 7.05 2poyB1 PHE 90 HE2 -0.13 -0.01 -0.08 -0.04 7.38 7.13 2poyB1 PHE 90 HZ -0.09 0.24 0.05 -0.04 7.32 7.48 2poyB1 THR 91 H -0.21 -0.22 -0.30 -0.55 8.28 7.01 2poyB1 THR 91 HA 0.08 0.40 1.00 -0.75 4.39 5.12 2poyB1 THR 91 HB -0.01 0.17 0.04 -0.04 4.32 4.48 2poyB1 THR 91 HG23 -0.14 0.02 -0.13 -0.04 1.22 0.93 2poyB1 ARG 92 H -0.08 -0.26 0.01 -0.55 8.46 7.58 2poyB1 ARG 92 HA -0.02 0.37 0.86 -0.75 4.34 4.79 2poyB1 ARG 92 HB2 -0.08 -0.25 -0.04 -0.04 1.90 1.49 2poyB1 ARG 92 HB3 -0.05 0.08 0.05 -0.04 1.80 1.84 2poyB1 ARG 92 HG2 -0.02 0.22 -0.18 -0.04 1.67 1.65 2poyB1 ARG 92 HG3 -0.05 -0.13 -0.30 -0.04 1.67 1.15 2poyB1 GLY 93 H -0.07 -0.03 0.08 -0.55 8.43 7.87 2poyB1 GLY 93 HA2 -0.02 0.16 0.44 -0.51 4.01 4.08 2poyB1 GLY 93 HA3 -0.01 0.17 0.32 -0.51 4.01 3.98 2poyB1 ASP 94 H -0.19 -0.22 -0.31 -0.55 8.40 7.13 2poyB1 ASP 94 HA -0.14 0.33 0.96 -0.75 4.63 5.02 2poyB1 ASP 94 HB2 -0.05 0.05 0.13 -0.04 2.71 2.80 2poyB1 ASP 94 HB3 -0.06 0.13 -0.12 -0.04 2.70 2.60 2poyB1 GLY 95 H -0.46 -0.12 0.02 -0.55 8.43 7.31 2poyB1 GLY 95 HA2 -0.28 0.01 0.24 -0.51 4.01 3.47 2poyB1 GLY 95 HA3 -0.07 0.30 0.68 -0.51 4.01 4.41 2poyB1 THR 96 H -0.12 -0.05 -0.20 -0.55 8.28 7.37 2poyB1 THR 96 HA -0.04 0.29 0.60 -0.75 4.39 4.49 2poyB1 THR 96 HB -0.03 0.06 0.11 -0.04 4.32 4.41 2poyB1 THR 96 HG23 -0.03 0.03 -0.11 -0.04 1.22 1.07 2poyB1 GLY 97 H -0.12 -0.16 -0.29 -0.55 8.43 7.31 2poyB1 GLY 97 HA2 -0.07 0.41 0.86 -0.51 4.01 4.70 2poyB1 GLY 97 HA3 -0.11 -0.20 0.24 -0.51 4.01 3.44 2poyB1 GLY 98 H -0.22 0.06 0.11 -0.55 8.43 7.83 2poyB1 GLY 98 HA2 -0.81 -0.05 0.45 -0.51 4.01 3.09 2poyB1 GLY 98 HA3 -0.28 0.14 0.83 -0.51 4.01 4.18 2poyB1 GLU 99 H -0.50 0.28 0.16 -0.55 8.60 8.00 2poyB1 GLU 99 HA 0.01 0.16 0.44 -0.75 4.29 4.14 2poyB1 GLU 99 HB2 0.05 0.15 0.16 -0.04 2.09 2.41 2poyB1 GLU 99 HB3 -0.01 0.10 -0.02 -0.04 1.99 2.02 2poyB1 GLU 99 HG2 0.16 -0.11 -0.10 -0.04 2.34 2.26 2poyB1 GLU 99 HG3 0.19 0.13 -0.15 -0.04 2.34 2.46 2poyB1 SER 100 H 0.12 0.26 0.01 -0.55 8.46 8.30 2poyB1 SER 100 HA 0.09 0.21 0.49 -0.75 4.49 4.53 2poyB1 SER 100 HB2 0.17 -0.02 0.07 -0.04 3.95 4.13 2poyB1 SER 100 HB3 0.41 0.15 0.03 -0.04 3.93 4.47 2poyB1 ILE 101 H -0.38 0.17 0.12 -0.55 8.25 7.61 2poyB1 ILE 101 HA -0.16 0.19 0.56 -0.75 4.18 4.01 2poyB1 ILE 101 HB -0.28 0.05 0.10 -0.04 1.89 1.72 2poyB1 ILE 101 HG12 -0.90 -0.07 0.10 -0.04 1.49 0.59 2poyB1 ILE 101 HG13 -1.46 0.04 -0.21 -0.04 1.21 -0.46 2poyB1 ILE 101 HG23 -0.23 0.01 0.01 -0.04 0.93 0.68 2poyB1 ILE 101 HD13 -0.33 0.01 -0.09 -0.04 0.88 0.43 2poyB1 TYR 102 H -0.26 0.01 -0.37 -0.55 8.29 7.12 2poyB1 TYR 102 HA -0.04 0.18 0.49 -0.75 4.56 4.44 2poyB1 TYR 102 HB2 -0.01 0.06 -0.09 -0.04 3.06 2.98 2poyB1 TYR 102 HB3 -0.04 0.03 0.07 -0.04 2.98 3.01 2poyB1 TYR 102 HD2 -0.44 0.07 -0.09 -0.04 7.15 6.65 2poyB1 TYR 102 HE2 -0.72 0.03 -0.06 -0.04 6.85 6.05 2poyB1 GLY 103 H 0.04 0.20 -0.56 -0.55 8.43 7.56 2poyB1 GLY 103 HA2 0.05 0.00 0.16 -0.51 4.01 3.72 2poyB1 GLY 103 HA3 0.06 0.19 0.54 -0.51 4.01 4.29 2poyB1 LYS 105 HA 0.18 0.01 0.17 -0.75 4.32 3.93 2poyB1 LYS 105 HB2 0.02 0.03 -0.33 -0.04 1.87 1.55 2poyB1 LYS 105 HB3 0.05 -0.04 0.04 -0.04 1.79 1.79 2poyB1 LYS 105 HG2 0.04 0.03 -0.48 -0.04 1.46 1.00 2poyB1 LYS 105 HG3 0.01 -0.01 0.02 -0.04 1.46 1.44 2poyB1 LYS 105 HD2 0.04 -0.03 -0.02 -0.04 1.69 1.63 2poyB1 LYS 105 HD3 0.06 -0.07 -0.01 -0.04 1.68 1.62 2poyB1 LYS 105 HE2 0.04 -0.07 -0.05 -0.04 2.99 2.87 2poyB1 LYS 105 HE3 0.02 0.17 0.00 -0.04 2.99 3.14 2poyB1 PHE 106 H -0.02 0.45 0.14 -0.55 8.34 8.36 2poyB1 PHE 106 HA 0.04 0.25 1.02 -0.75 4.62 5.17 2poyB1 PHE 106 HB2 -0.03 -0.06 0.07 -0.04 3.15 3.09 2poyB1 PHE 106 HB3 0.17 -0.00 -0.18 -0.04 3.06 3.01 2poyB1 PHE 106 HD2 0.10 0.07 -0.11 -0.04 7.28 7.28 2poyB1 PHE 106 HE2 0.06 0.04 -0.09 -0.04 7.38 7.35 2poyB1 PHE 106 HZ 0.01 -0.01 -0.03 -0.04 7.32 7.25 2poyB1 ARG 107 H 0.15 0.12 0.11 -0.55 8.46 8.29 2poyB1 ARG 107 HA 0.00 0.01 0.41 -0.75 4.34 4.01 2poyB1 ARG 107 HB2 0.04 0.05 0.11 -0.04 1.90 2.06 2poyB1 ARG 107 HB3 0.06 -0.04 0.03 -0.04 1.80 1.81 2poyB1 ARG 107 HG2 0.01 0.21 -0.33 -0.04 1.67 1.52 2poyB1 ARG 107 HG3 0.02 -0.10 0.08 -0.04 1.67 1.64 2poyB1 ARG 107 HD2 0.01 -0.02 -0.03 -0.04 3.22 3.14 2poyB1 ARG 107 HD3 0.02 0.03 -0.00 -0.04 3.22 3.23 2poyB1 ASP 108 H -0.01 0.07 0.21 -0.55 8.40 8.12 2poyB1 ASP 108 HA -0.12 0.02 0.66 -0.75 4.63 4.44 2poyB1 ASP 108 HB2 0.07 0.03 0.15 -0.04 2.71 2.92 2poyB1 ASP 108 HB3 -0.22 0.04 -0.05 -0.04 2.70 2.43 2poyB1 GLU 109 H -0.08 0.09 0.20 -0.55 8.60 8.26 2poyB1 GLU 109 HA -0.02 0.09 0.23 -0.75 4.29 3.84 2poyB1 GLU 109 HB2 0.08 0.01 0.11 -0.04 2.09 2.25 2poyB1 GLU 109 HB3 -0.00 -0.05 0.19 -0.04 1.99 2.09 2poyB1 GLU 109 HG2 -0.01 0.09 -0.14 -0.04 2.34 2.24 2poyB1 GLU 109 HG3 -0.00 0.07 0.02 -0.04 2.34 2.38 2poyB1 ASN 110 H -0.32 0.20 0.12 -0.55 8.53 7.99 2poyB1 ASN 110 HA -0.20 0.15 0.29 -0.75 4.76 4.24 2poyB1 ASN 110 HB2 -0.06 -0.06 0.19 -0.04 2.88 2.91 2poyB1 ASN 110 HB3 -0.06 0.26 0.09 -0.04 2.79 3.03 2poyB1 ASN 110 HD21 0.01 0.43 0.18 -0.04 7.03 7.61 2poyB1 ASN 110 HD22 -0.02 0.02 0.03 -0.04 7.74 7.73 2poyB1 PHE 111 H 0.04 0.22 0.04 -0.55 8.34 8.09 2poyB1 PHE 111 HA 0.06 0.18 0.77 -0.75 4.62 4.87 2poyB1 PHE 111 HB2 0.03 0.05 0.11 -0.04 3.15 3.30 2poyB1 PHE 111 HB3 0.06 -0.05 0.20 -0.04 3.06 3.22 2poyB1 PHE 111 HD2 0.07 0.04 -0.13 -0.04 7.28 7.22 2poyB1 PHE 111 HE2 0.05 -0.03 -0.48 -0.04 7.38 6.87 2poyB1 PHE 111 HZ 0.01 -0.01 -0.23 -0.04 7.32 7.04 2poyB1 VAL 112 H -0.05 0.10 -0.11 -0.55 8.24 7.63 2poyB1 VAL 112 HA -0.12 0.07 0.44 -0.75 4.13 3.76 2poyB1 VAL 112 HB -0.36 -0.01 0.07 -0.04 2.12 1.78 2poyB1 VAL 112 HG13 -0.80 0.00 -0.11 -0.04 0.97 0.02 2poyB1 VAL 112 HG23 -0.13 0.00 0.07 -0.04 0.95 0.85 2poyB1 TYR 113 H 0.06 0.08 -0.13 -0.55 8.29 7.74 2poyB1 TYR 113 HA -0.01 0.14 0.72 -0.75 4.56 4.66 2poyB1 TYR 113 HB2 0.06 0.05 0.06 -0.04 3.06 3.19 2poyB1 TYR 113 HB3 0.02 0.07 0.00 -0.04 2.98 3.03 2poyB1 TYR 113 HD2 0.01 0.09 -0.02 -0.04 7.15 7.19 2poyB1 TYR 113 HE2 -0.14 -0.01 -0.05 -0.04 6.85 6.61 2poyB1 THR 114 H 0.11 0.13 0.19 -0.55 8.28 8.15 2poyB1 THR 114 HA 0.06 0.18 0.82 -0.75 4.39 4.69 2poyB1 THR 114 HB 0.08 -0.03 0.04 -0.04 4.32 4.37 2poyB1 THR 114 HG23 0.06 0.04 -0.04 -0.04 1.22 1.24 2poyB1 HIS 115 H 0.20 0.18 0.01 -0.55 8.41 8.26 2poyB1 HIS 115 HA -0.00 0.15 0.59 -0.75 4.63 4.61 2poyB1 HIS 115 HB2 -0.12 0.05 0.03 -0.04 3.26 3.19 2poyB1 HIS 115 HB3 -0.07 0.02 0.15 -0.04 3.20 3.25 2poyB1 HIS 115 HD2 0.03 0.00 -0.11 -0.04 6.97 6.85 2poyB1 HIS 115 HE1 0.22 0.23 -0.04 -0.04 7.75 8.12 2poyB1 ASP 116 H 0.03 0.38 -0.11 -0.55 8.40 8.16 2poyB1 ASP 116 HA 0.04 0.17 0.69 -0.75 4.63 4.77 2poyB1 ASP 116 HB2 0.04 0.03 0.10 -0.04 2.71 2.84 2poyB1 ASP 116 HB3 0.05 -0.06 -0.12 -0.04 2.70 2.53 2poyB1 ALA 117 H 0.02 0.17 -0.10 -0.55 8.40 7.94 2poyB1 ALA 117 HA 0.01 0.18 0.65 -0.75 4.34 4.43 2poyB1 ALA 117 HB3 0.03 0.02 -0.08 -0.04 1.41 1.34 2poyB1 PRO 118 HA -0.21 0.03 0.22 -0.51 4.44 3.97 2poyB1 PRO 118 HB2 -1.21 0.03 -0.17 -0.04 2.28 0.88 2poyB1 PRO 118 HB3 -0.40 0.20 -0.37 -0.04 2.02 1.41 2poyB1 PRO 118 HG2 -0.04 0.01 -0.04 -0.04 2.03 1.92 2poyB1 PRO 118 HG3 -0.11 0.09 -0.02 -0.04 2.03 1.94 2poyB1 PRO 118 HD2 -0.00 0.10 0.16 -0.04 3.68 3.89 2poyB1 PRO 118 HD3 -0.04 0.14 -0.03 -0.04 3.65 3.69 2poyB1 PHE 119 H -0.40 0.70 0.07 -0.55 8.34 8.15 2poyB1 PHE 119 HA -0.04 0.11 0.31 -0.75 4.62 4.25 2poyB1 PHE 119 HB2 -0.03 0.18 0.12 -0.04 3.15 3.38 2poyB1 PHE 119 HB3 -0.05 -0.14 0.20 -0.04 3.06 3.03 2poyB1 PHE 119 HD2 -0.02 0.06 -0.11 -0.04 7.28 7.17 2poyB1 PHE 119 HE2 -0.01 0.03 -0.03 -0.04 7.38 7.33 2poyB1 PHE 119 HZ -0.00 0.01 -0.05 -0.04 7.32 7.24 2poyB1 LEU 120 H -0.05 0.14 -0.23 -0.55 8.37 7.68 2poyB1 LEU 120 HA -0.15 0.19 1.04 -0.75 4.35 4.67 2poyB1 LEU 120 HB2 -0.11 -0.07 0.03 -0.04 1.64 1.46 2poyB1 LEU 120 HB3 -0.18 0.06 0.04 -0.04 1.64 1.51 2poyB1 LEU 120 HG -0.02 0.11 -0.23 -0.04 1.64 1.46 2poyB1 LEU 120 HD13 -0.02 0.00 0.08 -0.04 0.93 0.95 2poyB1 LEU 120 HD23 0.01 0.00 -0.03 -0.04 0.89 0.83 2poyB1 LEU 121 H -0.49 0.64 0.12 -0.55 8.37 8.10 2poyB1 LEU 121 HA -0.43 0.33 0.91 -0.75 4.35 4.41 2poyB1 LEU 121 HB2 -1.02 -0.13 -0.02 -0.04 1.64 0.43 2poyB1 LEU 121 HB3 -1.76 0.01 -0.16 -0.04 1.64 -0.32 2poyB1 LEU 121 HG -0.44 -0.02 -0.27 -0.04 1.64 0.87 2poyB1 LEU 121 HD13 -0.91 -0.01 -0.20 -0.04 0.93 -0.23 2poyB1 LEU 121 HD23 -0.48 0.03 -0.18 -0.04 0.89 0.22 2poyB1 SER 122 H -0.59 0.73 0.37 -0.55 8.46 8.41 2poyB1 SER 122 HA -0.10 0.22 0.93 -0.75 4.49 4.79 2poyB1 SER 122 HB2 -0.36 -0.06 -0.32 -0.04 3.95 3.17 2poyB1 SER 122 HB3 -1.68 -0.01 -0.14 -0.04 3.93 2.05 2poyB1 MET 123 H 0.34 0.46 0.16 -0.55 8.47 8.87 2poyB1 MET 123 HA 0.42 0.15 0.76 -0.75 4.52 5.10 2poyB1 MET 123 HB2 0.24 -0.21 0.21 -0.04 2.15 2.35 2poyB1 MET 123 HB3 0.17 0.16 0.04 -0.04 2.03 2.36 2poyB1 MET 123 HG2 0.21 0.02 0.01 -0.04 2.63 2.83 2poyB1 MET 123 HG3 0.01 -0.07 0.02 -0.04 2.56 2.47 2poyB1 MET 123 HE3 0.17 -0.00 -0.19 -0.04 2.10 2.04 2poyB1 ALA 124 H 0.42 0.28 0.06 -0.55 8.40 8.61 2poyB1 ALA 124 HA 0.40 0.08 0.60 -0.75 4.34 4.66 2poyB1 ALA 124 HB3 0.19 -0.00 -0.14 -0.04 1.41 1.41 2poyB1 ASN 125 H 0.27 0.28 0.14 -0.55 8.53 8.67 2poyB1 ASN 125 HA 0.09 0.18 0.47 -0.75 4.76 4.75 2poyB1 ASN 125 HB2 0.01 -0.03 0.01 -0.04 2.88 2.84 2poyB1 ASN 125 HB3 0.06 0.06 -0.38 -0.04 2.79 2.50 2poyB1 ASN 125 HD21 -0.61 0.34 -0.00 -0.04 7.03 6.72 2poyB1 ASN 125 HD22 -0.05 -0.14 -0.08 -0.04 7.74 7.43 2poyB1 ALA 126 H 0.03 0.23 0.03 -0.55 8.40 8.14 2poyB1 ALA 126 HA 0.05 0.16 0.77 -0.75 4.34 4.57 2poyB1 ALA 126 HB3 0.03 0.02 0.08 -0.04 1.41 1.50 2poyB1 GLY 127 H 0.02 0.09 -0.20 -0.55 8.43 7.79 2poyB1 GLY 127 HA2 0.00 0.02 0.29 -0.51 4.01 3.82 2poyB1 GLY 127 HA3 0.01 0.24 0.74 -0.51 4.01 4.49 2poyB1 PRO 128 HA 0.03 -0.01 0.47 -0.51 4.44 4.42 2poyB1 PRO 128 HB2 0.02 0.04 0.04 -0.04 2.28 2.35 2poyB1 PRO 128 HB3 0.04 0.02 0.08 -0.04 2.02 2.12 2poyB1 PRO 128 HG2 0.01 0.04 0.08 -0.04 2.03 2.12 2poyB1 PRO 128 HG3 0.01 0.06 0.09 -0.04 2.03 2.15 2poyB1 PRO 128 HD2 0.01 0.15 0.17 -0.04 3.68 3.97 2poyB1 PRO 128 HD3 0.00 0.10 0.18 -0.04 3.65 3.89 2poyB1 ASN 129 H 0.03 0.06 0.21 -0.55 8.53 8.28 2poyB1 ASN 129 HA -0.03 -0.12 0.40 -0.75 4.76 4.25 2poyB1 ASN 129 HB2 0.02 0.23 -0.12 -0.04 2.88 2.96 2poyB1 ASN 129 HB3 0.01 -0.00 0.06 -0.04 2.79 2.82 2poyB1 ASN 129 HD21 0.04 0.02 -0.05 -0.04 7.03 7.00 2poyB1 ASN 129 HD22 0.03 0.10 -0.15 -0.04 7.74 7.68 2poyB1 THR 130 H -0.04 0.08 -0.12 -0.55 8.28 7.64 2poyB1 THR 130 HA -0.02 0.27 0.75 -0.75 4.39 4.64 2poyB1 THR 130 HB 0.00 -0.01 0.10 -0.04 4.32 4.37 2poyB1 THR 130 HG23 0.01 0.10 -0.35 -0.04 1.22 0.94 2poyB1 ASN 131 H -0.25 0.31 -0.05 -0.55 8.53 8.00 2poyB1 ASN 131 HA -0.13 0.14 0.42 -0.75 4.76 4.44 2poyB1 ASN 131 HB2 -1.63 0.05 0.08 -0.04 2.88 1.33 2poyB1 ASN 131 HB3 -0.88 0.02 -0.02 -0.04 2.79 1.88 2poyB1 ASN 131 HD21 -0.17 -0.16 -0.05 -0.04 7.03 6.62 2poyB1 ASN 131 HD22 -0.46 0.39 -0.33 -0.04 7.74 7.30 2poyB1 GLY 132 H 0.04 0.16 0.05 -0.55 8.43 8.13 2poyB1 GLY 132 HA2 0.16 0.13 0.77 -0.51 4.01 4.57 2poyB1 GLY 132 HA3 0.06 0.04 0.23 -0.51 4.01 3.84 2poyB1 SER 133 H 0.07 0.04 0.07 -0.55 8.46 8.09 2poyB1 SER 133 HA 0.32 0.20 0.79 -0.75 4.49 5.05 2poyB1 SER 133 HB2 0.41 0.02 0.10 -0.04 3.95 4.43 2poyB1 SER 133 HB3 0.16 0.34 -0.05 -0.04 3.93 4.35 2poyB1 GLN 134 H 0.13 -0.07 0.12 -0.55 8.47 8.11 2poyB1 GLN 134 HA 0.17 0.13 0.70 -0.75 4.36 4.61 2poyB1 GLN 134 HB2 0.12 0.00 0.06 -0.04 2.15 2.29 2poyB1 GLN 134 HB3 0.12 0.06 -0.01 -0.04 2.02 2.15 2poyB1 GLN 134 HG2 0.05 -0.06 -0.24 -0.04 2.40 2.12 2poyB1 GLN 134 HG3 0.00 -0.03 -0.08 -0.04 2.39 2.25 2poyB1 GLN 134 HE21 -0.03 0.43 -0.08 -0.04 6.97 7.25 2poyB1 GLN 134 HE22 -0.04 0.42 -0.04 -0.04 7.69 7.99 2poyB1 PHE 135 H -0.26 0.54 0.37 -0.55 8.34 8.43 2poyB1 PHE 135 HA 0.32 0.07 0.99 -0.75 4.62 5.24 2poyB1 PHE 135 HB2 0.30 0.05 0.05 -0.04 3.15 3.51 2poyB1 PHE 135 HB3 0.47 0.07 -0.25 -0.04 3.06 3.31 2poyB1 PHE 135 HD2 0.18 0.19 -0.21 -0.04 7.28 7.40 2poyB1 PHE 135 HE2 -0.21 -0.02 -0.18 -0.04 7.38 6.93 2poyB1 PHE 135 HZ -0.38 0.01 -0.16 -0.04 7.32 6.75 2poyB1 PHE 136 H 0.14 0.71 0.37 -0.55 8.34 9.01 2poyB1 PHE 136 HA 0.02 0.22 0.75 -0.75 4.62 4.85 2poyB1 PHE 136 HB2 -0.12 0.03 -0.04 -0.04 3.15 2.98 2poyB1 PHE 136 HB3 -0.11 -0.00 -0.04 -0.04 3.06 2.86 2poyB1 PHE 136 HD2 -0.07 -0.05 -0.38 -0.04 7.28 6.75 2poyB1 PHE 136 HE2 -0.01 0.13 -0.38 -0.04 7.38 7.08 2poyB1 PHE 136 HZ -0.11 0.01 -0.17 -0.04 7.32 7.01 2poyB1 ILE 137 H 0.25 0.53 0.29 -0.55 8.25 8.77 2poyB1 ILE 137 HA -0.04 0.41 0.89 -0.75 4.18 4.68 2poyB1 ILE 137 HB 0.15 -0.05 0.09 -0.04 1.89 2.04 2poyB1 ILE 137 HG12 0.05 0.03 -0.20 -0.04 1.49 1.33 2poyB1 ILE 137 HG13 0.43 -0.06 -0.31 -0.04 1.21 1.23 2poyB1 ILE 137 HG23 0.09 0.04 -0.20 -0.04 0.93 0.82 2poyB1 ILE 137 HD13 0.27 -0.01 -0.15 -0.04 0.88 0.95 2poyB1 THR 138 H -0.05 0.47 0.21 -0.55 8.28 8.36 2poyB1 THR 138 HA 0.02 0.18 0.75 -0.75 4.39 4.59 2poyB1 THR 138 HB 0.02 0.26 0.19 -0.04 4.32 4.75 2poyB1 THR 138 HG23 0.16 0.01 0.00 -0.04 1.22 1.35 2poyB1 THR 139 H -0.03 0.76 0.29 -0.55 8.28 8.75 2poyB1 THR 139 HA -0.40 0.05 0.78 -0.75 4.39 4.06 2poyB1 THR 139 HB -0.10 -0.01 0.07 -0.04 4.32 4.24 2poyB1 THR 139 HG23 -0.06 0.01 -0.25 -0.04 1.22 0.88 2poyB1 VAL 140 H 0.00 0.26 0.16 -0.55 8.24 8.11 2poyB1 VAL 140 HA -0.03 0.12 0.47 -0.75 4.13 3.94 2poyB1 VAL 140 HB 0.09 0.07 0.06 -0.04 2.12 2.30 2poyB1 VAL 140 HG13 0.06 -0.03 -0.23 -0.04 0.97 0.73 2poyB1 VAL 140 HG23 0.23 0.04 -0.18 -0.04 0.95 1.00 2poyB1 PRO 141 HA 0.01 0.03 0.33 -0.51 4.44 4.31 2poyB1 PRO 141 HB2 0.06 -0.01 -0.01 -0.04 2.28 2.28 2poyB1 PRO 141 HB3 0.04 0.03 -0.00 -0.04 2.02 2.05 2poyB1 PRO 141 HG2 0.04 0.03 0.02 -0.04 2.03 2.08 2poyB1 PRO 141 HG3 0.02 0.13 -0.25 -0.04 2.03 1.89 2poyB1 PRO 141 HD2 0.05 0.11 0.14 -0.04 3.68 3.94 2poyB1 PRO 141 HD3 0.00 0.09 0.02 -0.04 3.65 3.72 2poyB1 CYS 142 H -0.07 0.40 0.13 -0.55 8.50 8.41 2poyB1 CYS 142 HA -1.07 0.23 0.86 -0.75 4.58 3.84 2poyB1 CYS 142 HB2 -0.40 -0.06 0.19 -0.04 2.97 2.66 2poyB1 CYS 142 HB3 -1.30 -0.07 0.13 -0.04 2.97 1.69 2poyB1 PRO 143 HA -0.03 -0.00 0.33 -0.51 4.44 4.23 2poyB1 PRO 143 HB2 0.12 0.06 -0.01 -0.04 2.28 2.41 2poyB1 PRO 143 HB3 0.07 0.03 0.08 -0.04 2.02 2.16 2poyB1 PRO 143 HG2 0.35 0.03 0.04 -0.04 2.03 2.41 2poyB1 PRO 143 HG3 0.16 0.07 0.02 -0.04 2.03 2.23 2poyB1 PRO 143 HD2 0.23 0.21 0.01 -0.04 3.68 4.09 2poyB1 PRO 143 HD3 0.04 0.12 -0.20 -0.04 3.65 3.58 2poyB1 TRP 144 H 0.07 0.14 -0.31 -0.55 7.97 7.32 2poyB1 TRP 144 HA -0.00 0.10 0.35 -0.75 4.62 4.32 2poyB1 TRP 144 HB2 -0.03 0.04 0.08 -0.04 3.23 3.28 2poyB1 TRP 144 HB3 -0.03 -0.01 0.05 -0.04 3.23 3.20 2poyB1 TRP 144 HD1 -0.05 0.01 -0.18 -0.04 7.22 6.96 2poyB1 TRP 144 HE1 -0.20 0.02 -0.09 -0.04 10.20 9.89 2poyB1 TRP 144 HE3 -0.03 -0.05 0.00 -0.04 7.59 7.47 2poyB1 TRP 144 HZ2 -0.65 0.02 -0.03 -0.04 7.44 6.74 2poyB1 TRP 144 HZ3 -0.03 0.07 0.06 -0.04 7.13 7.19 2poyB1 TRP 144 HH2 -0.10 0.11 0.05 -0.04 7.19 7.21 2poyB1 LEU 145 H -0.67 0.44 -0.42 -0.55 8.37 7.17 2poyB1 LEU 145 HA -0.04 0.16 0.69 -0.75 4.35 4.40 2poyB1 LEU 145 HB2 -1.17 0.08 0.07 -0.04 1.64 0.58 2poyB1 LEU 145 HB3 -0.36 -0.07 0.07 -0.04 1.64 1.24 2poyB1 LEU 145 HG -1.27 -0.05 -0.09 -0.04 1.64 0.19 2poyB1 LEU 145 HD13 -0.33 -0.00 -0.07 -0.04 0.93 0.49 2poyB1 LEU 145 HD23 -0.09 0.02 -0.14 -0.04 0.89 0.64 2poyB1 ASP 146 H -0.03 0.45 -0.13 -0.55 8.40 8.14 2poyB1 ASP 146 HA 0.29 -0.00 0.49 -0.75 4.63 4.65 2poyB1 ASP 146 HB2 0.05 0.14 0.16 -0.04 2.71 3.03 2poyB1 ASP 146 HB3 0.08 0.01 0.07 -0.04 2.70 2.82 2poyB1 GLY 147 H -0.01 0.16 0.20 -0.55 8.43 8.23 2poyB1 GLY 147 HA2 -1.14 -0.04 0.31 -0.51 4.01 2.63 2poyB1 GLY 147 HA3 -0.38 0.11 0.44 -0.51 4.01 3.67 2poyB1 LYS 148 H -0.13 0.34 -0.46 -0.55 8.42 7.61 2poyB1 LYS 148 HA -0.28 0.14 0.86 -0.75 4.32 4.29 2poyB1 LYS 148 HB2 0.06 0.07 -0.04 -0.04 1.87 1.92 2poyB1 LYS 148 HB3 -0.11 -0.08 -0.00 -0.04 1.79 1.55 2poyB1 LYS 148 HG2 -0.06 -0.06 -0.08 -0.04 1.46 1.21 2poyB1 LYS 148 HG3 -0.14 0.01 -0.55 -0.04 1.46 0.74 2poyB1 LYS 148 HD2 0.06 0.12 -0.03 -0.04 1.69 1.81 2poyB1 LYS 148 HD3 0.05 -0.09 -0.04 -0.04 1.68 1.57 2poyB1 LYS 148 HE2 0.01 -0.11 -0.04 -0.04 2.99 2.81 2poyB1 LYS 148 HE3 -0.04 0.03 -0.10 -0.04 2.99 2.85 2poyB1 HIS 149 H 0.32 0.42 0.19 -0.55 8.41 8.80 2poyB1 HIS 149 HA 0.35 0.15 0.89 -0.75 4.63 5.26 2poyB1 HIS 149 HB2 0.45 -0.06 0.04 -0.04 3.26 3.65 2poyB1 HIS 149 HB3 0.52 0.13 -0.01 -0.04 3.20 3.79 2poyB1 HIS 149 HD2 0.04 0.00 -0.10 -0.04 6.97 6.86 2poyB1 HIS 149 HE1 0.08 -0.07 -0.02 -0.04 7.75 7.69 2poyB1 VAL 150 H 0.32 0.17 0.11 -0.55 8.24 8.30 2poyB1 VAL 150 HA 0.20 0.13 0.60 -0.75 4.13 4.30 2poyB1 VAL 150 HB 0.11 -0.03 0.20 -0.04 2.12 2.36 2poyB1 VAL 150 HG13 0.07 0.01 -0.06 -0.04 0.97 0.95 2poyB1 VAL 150 HG23 -0.33 0.03 0.08 -0.04 0.95 0.69 2poyB1 VAL 151 H 0.16 0.23 0.28 -0.55 8.24 8.36 2poyB1 VAL 151 HA -0.09 0.18 0.87 -0.75 4.13 4.34 2poyB1 VAL 151 HB 0.08 -0.00 0.06 -0.04 2.12 2.21 2poyB1 VAL 151 HG13 -0.08 0.01 -0.13 -0.04 0.97 0.73 2poyB1 VAL 151 HG23 -0.59 0.02 -0.26 -0.04 0.95 0.08 2poyB1 PHE 152 H -0.52 0.67 0.34 -0.55 8.34 8.27 2poyB1 PHE 152 HA 0.09 0.18 1.00 -0.75 4.62 5.14 2poyB1 PHE 152 HB2 -0.04 -0.08 0.02 -0.04 3.15 3.00 2poyB1 PHE 152 HB3 0.02 -0.01 -0.29 -0.04 3.06 2.75 2poyB1 PHE 152 HD2 -0.16 0.02 -0.17 -0.04 7.28 6.94 2poyB1 PHE 152 HE2 -0.79 0.00 -0.38 -0.04 7.38 6.17 2poyB1 PHE 152 HZ -0.53 0.03 -0.20 -0.04 7.32 6.57 2poyB1 GLY 153 H -0.79 0.32 0.31 -0.55 8.43 7.73 2poyB1 GLY 153 HA2 -1.93 0.05 0.54 -0.51 4.01 2.17 2poyB1 GLY 153 HA3 -0.94 0.11 0.53 -0.51 4.01 3.20 2poyB1 LYS 154 H -0.56 0.64 0.41 -0.55 8.42 8.35 2poyB1 LYS 154 HA -0.24 0.13 0.83 -0.75 4.32 4.29 2poyB1 LYS 154 HB2 -0.00 0.12 0.10 -0.04 1.87 2.04 2poyB1 LYS 154 HB3 0.00 -0.01 -0.11 -0.04 1.79 1.64 2poyB1 LYS 154 HG2 0.07 -0.07 -0.07 -0.04 1.46 1.34 2poyB1 LYS 154 HG3 -0.01 -0.01 -0.28 -0.04 1.46 1.12 2poyB1 LYS 154 HD2 0.09 0.08 -0.07 -0.04 1.69 1.75 2poyB1 LYS 154 HD3 0.19 -0.03 -0.09 -0.04 1.68 1.71 2poyB1 LYS 154 HE2 0.21 -0.03 -0.08 -0.04 2.99 3.05 2poyB1 LYS 154 HE3 0.14 -0.00 -0.10 -0.04 2.99 2.99 2poyB1 VAL 155 H -0.03 0.62 0.31 -0.55 8.24 8.59 2poyB1 VAL 155 HA -0.13 0.10 0.77 -0.75 4.13 4.12 2poyB1 VAL 155 HB -0.07 0.00 0.11 -0.04 2.12 2.12 2poyB1 VAL 155 HG13 -0.15 -0.01 -0.30 -0.04 0.97 0.46 2poyB1 VAL 155 HG23 0.01 0.03 -0.08 -0.04 0.95 0.87 2poyB1 LEU 156 H -0.13 0.73 0.48 -0.55 8.37 8.91 2poyB1 LEU 156 HA -0.11 0.16 0.80 -0.75 4.35 4.45 2poyB1 LEU 156 HB2 -0.18 -0.00 -0.01 -0.04 1.64 1.41 2poyB1 LEU 156 HB3 -0.30 -0.02 -0.02 -0.04 1.64 1.26 2poyB1 LEU 156 HG -0.08 -0.07 -0.08 -0.04 1.64 1.37 2poyB1 LEU 156 HD13 -0.19 0.01 -0.14 -0.04 0.93 0.56 2poyB1 LEU 156 HD23 0.06 0.02 -0.08 -0.04 0.89 0.85 2poyB1 GLU 157 H -0.13 0.45 0.37 -0.55 8.60 8.74 2poyB1 GLU 157 HA -0.15 0.10 0.57 -0.75 4.29 4.06 2poyB1 GLU 157 HB2 -0.14 0.10 -0.11 -0.04 2.09 1.90 2poyB1 GLU 157 HB3 -0.10 -0.01 0.02 -0.04 1.99 1.85 2poyB1 GLU 157 HG2 -0.09 -0.10 0.13 -0.04 2.34 2.24 2poyB1 GLU 157 HG3 -0.10 0.04 0.20 -0.04 2.34 2.43 2poyB1 GLY 158 H -0.12 0.13 0.24 -0.55 8.43 8.14 2poyB1 GLY 158 HA2 -0.06 0.05 0.47 -0.51 4.01 3.96 2poyB1 GLY 158 HA3 -0.05 0.31 1.09 -0.51 4.01 4.86 2poyB1 MET 159 H -0.24 0.12 0.01 -0.55 8.47 7.81 2poyB1 MET 159 HA -0.46 0.11 0.40 -0.75 4.52 3.82 2poyB1 MET 159 HB2 -0.39 -0.03 0.05 -0.04 2.15 1.74 2poyB1 MET 159 HB3 -1.05 0.07 -0.03 -0.04 2.03 0.98 2poyB1 MET 159 HG2 -0.85 0.10 -0.05 -0.04 2.63 1.78 2poyB1 MET 159 HG3 -1.16 0.03 -0.08 -0.04 2.56 1.32 2poyB1 MET 159 HE3 -0.18 0.01 0.02 -0.04 2.10 1.90 2poyB1 GLU 160 H -0.11 0.05 -0.14 -0.55 8.60 7.86 2poyB1 GLU 160 HA 0.01 0.13 0.61 -0.75 4.29 4.28 2poyB1 GLU 160 HB2 -0.04 -0.04 0.07 -0.04 2.09 2.04 2poyB1 GLU 160 HB3 -0.01 0.09 -0.01 -0.04 1.99 2.02 2poyB1 GLU 160 HG2 -0.04 -0.05 0.01 -0.04 2.34 2.22 2poyB1 GLU 160 HG3 -0.01 0.06 0.02 -0.04 2.34 2.36 2poyB1 VAL 161 H -0.04 0.02 -0.33 -0.55 8.24 7.34 2poyB1 VAL 161 HA -0.01 0.12 0.45 -0.75 4.13 3.94 2poyB1 VAL 161 HB -0.00 0.16 0.07 -0.04 2.12 2.30 2poyB1 VAL 161 HG13 0.02 0.01 -0.32 -0.04 0.97 0.63 2poyB1 VAL 161 HG23 -0.01 0.03 -0.03 -0.04 0.95 0.90 2poyB1 VAL 162 H 0.00 0.49 -0.07 -0.55 8.24 8.11 2poyB1 VAL 162 HA -0.04 0.03 0.41 -0.75 4.13 3.77 2poyB1 VAL 162 HB 0.23 0.11 0.12 -0.04 2.12 2.54 2poyB1 VAL 162 HG13 0.16 0.00 -0.18 -0.04 0.97 0.91 2poyB1 VAL 162 HG23 0.09 0.02 -0.04 -0.04 0.95 0.98 2poyB1 LYS 163 H 0.10 0.45 -0.23 -0.55 8.42 8.19 2poyB1 LYS 163 HA 0.06 0.01 0.44 -0.75 4.32 4.07 2poyB1 LYS 163 HB2 0.06 0.08 0.14 -0.04 1.87 2.11 2poyB1 LYS 163 HB3 0.06 -0.02 0.01 -0.04 1.79 1.80 2poyB1 LYS 163 HG2 0.27 0.22 0.08 -0.04 1.46 1.98 2poyB1 LYS 163 HG3 0.15 -0.04 0.00 -0.04 1.46 1.53 2poyB1 LYS 163 HD2 0.09 -0.04 -0.01 -0.04 1.69 1.69 2poyB1 LYS 163 HD3 0.18 0.01 -0.00 -0.04 1.68 1.82 2poyB1 LYS 163 HE2 0.09 -0.00 0.00 -0.04 2.99 3.04 2poyB1 LYS 163 HE3 0.05 -0.01 0.01 -0.04 2.99 3.01 2poyB1 SER 164 H 0.01 0.48 -0.26 -0.55 8.46 8.15 2poyB1 SER 164 HA 0.01 0.01 0.45 -0.75 4.49 4.20 2poyB1 SER 164 HB2 -0.01 0.16 0.19 -0.04 3.95 4.26 2poyB1 SER 164 HB3 -0.00 -0.04 -0.03 -0.04 3.93 3.82 2poyB1 ILE 165 H -0.04 0.54 -0.14 -0.55 8.25 8.05 2poyB1 ILE 165 HA -0.06 0.03 0.39 -0.75 4.18 3.78 2poyB1 ILE 165 HB -0.20 0.08 0.09 -0.04 1.89 1.83 2poyB1 ILE 165 HG12 -0.13 -0.03 -0.09 -0.04 1.49 1.20 2poyB1 ILE 165 HG13 -0.10 0.33 -0.02 -0.04 1.21 1.37 2poyB1 ILE 165 HG23 -0.37 -0.02 -0.11 -0.04 0.93 0.39 2poyB1 ILE 165 HD13 -0.43 -0.04 -0.17 -0.04 0.88 0.21 2poyB1 GLU 166 H -0.03 0.56 -0.20 -0.55 8.60 8.39 2poyB1 GLU 166 HA -0.02 -0.00 0.19 -0.75 4.29 3.71 2poyB1 GLU 166 HB2 -0.01 0.02 0.01 -0.04 2.09 2.07 2poyB1 GLU 166 HB3 0.01 0.15 0.09 -0.04 1.99 2.19 2poyB1 GLU 166 HG2 0.02 -0.00 -0.10 -0.04 2.34 2.21 2poyB1 GLU 166 HG3 0.01 0.02 -0.06 -0.04 2.34 2.26 2poyB1 LYS 167 H 0.00 0.39 -0.44 -0.55 8.42 7.82 2poyB1 LYS 167 HA 0.01 0.01 0.54 -0.75 4.32 4.13 2poyB1 LYS 167 HB2 0.01 0.19 0.11 -0.04 1.87 2.13 2poyB1 LYS 167 HB3 0.01 -0.06 0.11 -0.04 1.79 1.81 2poyB1 LYS 167 HG2 0.01 -0.06 0.03 -0.04 1.46 1.40 2poyB1 LYS 167 HG3 0.02 0.15 0.04 -0.04 1.46 1.62 2poyB1 LYS 167 HD2 0.01 -0.04 0.01 -0.04 1.69 1.62 2poyB1 LYS 167 HD3 0.02 -0.06 -0.03 -0.04 1.68 1.56 2poyB1 LYS 167 HE2 0.01 0.13 0.05 -0.04 2.99 3.14 2poyB1 LYS 167 HE3 0.01 -0.02 0.01 -0.04 2.99 2.95 2poyB1 CYS 168 H -0.00 0.55 -0.51 -0.55 8.50 7.99 2poyB1 CYS 168 HA 0.01 0.11 0.67 -0.75 4.58 4.61 2poyB1 CYS 168 HB2 0.01 0.20 0.15 -0.04 2.97 3.28 2poyB1 CYS 168 HB3 0.02 -0.24 0.24 -0.04 2.97 2.96 2poyB1 GLY 169 H 0.01 0.20 -0.53 -0.55 8.43 7.57 2poyB1 GLY 169 HA2 0.01 0.20 0.78 -0.51 4.01 4.50 2poyB1 GLY 169 HA3 0.02 -0.00 0.07 -0.51 4.01 3.58 2poyB1 SER 170 H 0.02 0.57 0.29 -0.55 8.46 8.80 2poyB1 SER 170 HA 0.01 0.14 0.77 -0.75 4.49 4.66 2poyB1 SER 170 HB2 0.02 -0.23 -0.02 -0.04 3.95 3.67 2poyB1 SER 170 HB3 0.01 -0.14 0.10 -0.04 3.93 3.86 2poyB1 GLN 171 H 0.01 0.17 0.18 -0.55 8.47 8.29 2poyB1 GLN 171 HA 0.02 0.14 0.49 -0.75 4.36 4.25 2poyB1 GLN 171 HB2 0.00 -0.04 0.13 -0.04 2.15 2.20 2poyB1 GLN 171 HB3 -0.01 0.04 0.08 -0.04 2.02 2.09 2poyB1 GLN 171 HG2 -0.00 0.05 0.07 -0.04 2.40 2.48 2poyB1 GLN 171 HG3 0.00 -0.03 0.13 -0.04 2.39 2.45 2poyB1 GLN 171 HE21 -0.01 -0.01 0.02 -0.04 6.97 6.93 2poyB1 GLN 171 HE22 -0.01 0.02 0.02 -0.04 7.69 7.68 2poyB1 ASN 172 H 0.01 0.03 -0.15 -0.55 8.53 7.88 2poyB1 ASN 172 HA 0.01 0.26 0.85 -0.75 4.76 5.13 2poyB1 ASN 172 HB2 0.01 0.05 0.17 -0.04 2.88 3.07 2poyB1 ASN 172 HB3 0.00 -0.01 0.04 -0.04 2.79 2.78 2poyB1 ASN 172 HD21 0.00 0.03 0.00 -0.04 7.03 7.02 2poyB1 ASN 172 HD22 0.00 0.01 0.02 -0.04 7.74 7.73 2poyB1 GLY 173 H 0.03 0.27 -0.46 -0.55 8.43 7.72 2poyB1 GLY 173 HA2 0.03 0.23 0.17 -0.51 4.01 3.93 2poyB1 GLY 173 HA3 0.02 0.08 0.22 -0.51 4.01 3.82 2poyB1 LYS 174 H 0.02 -0.05 -0.40 -0.55 8.42 7.43 2poyB1 LYS 174 HA 0.02 0.18 0.52 -0.75 4.32 4.29 2poyB1 LYS 174 HB2 0.01 -0.13 0.03 -0.04 1.87 1.75 2poyB1 LYS 174 HB3 0.01 0.12 -0.01 -0.04 1.79 1.87 2poyB1 LYS 174 HG2 0.02 0.07 0.03 -0.04 1.46 1.54 2poyB1 LYS 174 HG3 0.01 -0.05 -0.03 -0.04 1.46 1.36 2poyB1 LYS 174 HD2 0.01 -0.03 -0.02 -0.04 1.69 1.61 2poyB1 LYS 174 HD3 0.01 0.03 0.00 -0.04 1.68 1.68 2poyB1 LYS 174 HE2 0.01 -0.05 -0.00 -0.04 2.99 2.90 2poyB1 LYS 174 HE3 0.00 -0.03 -0.00 -0.04 2.99 2.92 2poyB1 PRO 175 HA 0.02 0.25 0.72 -0.51 4.44 4.92 2poyB1 PRO 175 HB2 0.03 -0.00 0.08 -0.04 2.28 2.35 2poyB1 PRO 175 HB3 0.05 0.04 0.21 -0.04 2.02 2.28 2poyB1 PRO 175 HG2 0.06 -0.03 0.15 -0.04 2.03 2.17 2poyB1 PRO 175 HG3 0.04 -0.04 -0.16 -0.04 2.03 1.83 2poyB1 PRO 175 HD2 0.02 -0.01 0.26 -0.04 3.68 3.92 2poyB1 PRO 175 HD3 0.03 0.28 0.37 -0.04 3.65 4.29 2poyB1 THR 176 H 0.02 0.63 0.24 -0.55 8.28 8.62 2poyB1 THR 176 HA 0.01 0.09 0.61 -0.75 4.39 4.35 2poyB1 THR 176 HB 0.01 -0.08 0.09 -0.04 4.32 4.30 2poyB1 THR 176 HG23 0.01 0.02 -0.11 -0.04 1.22 1.10 2poyB1 LYS 177 H 0.03 0.27 0.07 -0.55 8.42 8.23 2poyB1 LYS 177 HA 0.02 0.13 0.65 -0.75 4.32 4.37 2poyB1 LYS 177 HB2 0.03 0.01 -0.06 -0.04 1.87 1.82 2poyB1 LYS 177 HB3 0.04 -0.09 0.05 -0.04 1.79 1.74 2poyB1 LYS 177 HG2 0.02 0.18 -0.15 -0.04 1.46 1.47 2poyB1 LYS 177 HG3 0.02 -0.06 -0.42 -0.04 1.46 0.95 2poyB1 LYS 177 HD2 0.02 -0.00 -0.11 -0.04 1.69 1.56 2poyB1 LYS 177 HD3 0.02 -0.04 -0.08 -0.04 1.68 1.55 2poyB1 LYS 177 HE2 0.01 0.01 -0.06 -0.04 2.99 2.91 2poyB1 LYS 177 HE3 0.01 0.04 -0.09 -0.04 2.99 2.91 2poyB1 SER 178 H 0.05 0.11 0.13 -0.55 8.46 8.20 2poyB1 SER 178 HA 0.07 0.17 0.67 -0.75 4.49 4.64 2poyB1 SER 178 HB2 0.01 0.04 0.10 -0.04 3.95 4.05 2poyB1 SER 178 HB3 0.10 -0.09 0.20 -0.04 3.93 4.10 2poyB1 VAL 179 H 0.24 0.30 0.20 -0.55 8.24 8.42 2poyB1 VAL 179 HA 0.14 0.32 1.09 -0.75 4.13 4.93 2poyB1 VAL 179 HB 0.24 -0.04 0.26 -0.04 2.12 2.54 2poyB1 VAL 179 HG13 0.06 -0.01 -0.13 -0.04 0.97 0.85 2poyB1 VAL 179 HG23 0.06 0.05 -0.09 -0.04 0.95 0.93 2poyB1 CYS 180 H 0.10 0.66 0.33 -0.55 8.50 9.04 2poyB1 CYS 180 HA -0.26 0.22 0.80 -0.75 4.58 4.59 2poyB1 CYS 180 HB2 -0.04 -0.02 -0.20 -0.04 2.97 2.67 2poyB1 CYS 180 HB3 -0.03 -0.03 0.01 -0.04 2.97 2.88 2poyB1 ILE 181 H -0.29 0.87 0.27 -0.55 8.25 8.55 2poyB1 ILE 181 HA -0.07 0.21 0.88 -0.75 4.18 4.45 2poyB1 ILE 181 HB -0.28 0.10 0.22 -0.04 1.89 1.89 2poyB1 ILE 181 HG12 -0.31 -0.02 -0.09 -0.04 1.49 1.03 2poyB1 ILE 181 HG13 -0.20 -0.00 -0.13 -0.04 1.21 0.84 2poyB1 ILE 181 HG23 -0.34 -0.05 -0.11 -0.04 0.93 0.39 2poyB1 ILE 181 HD13 -1.00 -0.02 -0.11 -0.04 0.88 -0.30 2poyB1 THR 182 H -0.01 0.45 0.19 -0.55 8.28 8.36 2poyB1 THR 182 HA -0.06 0.08 0.43 -0.75 4.39 4.08 2poyB1 THR 182 HB 0.00 0.00 0.02 -0.04 4.32 4.31 2poyB1 THR 182 HG23 -0.01 0.03 -0.09 -0.04 1.22 1.11 2poyB1 ALA 183 H 0.04 0.30 0.12 -0.55 8.40 8.32 2poyB1 ALA 183 HA 0.00 0.16 0.49 -0.75 4.34 4.24 2poyB1 ALA 183 HB3 0.13 0.02 -0.03 -0.04 1.41 1.48 2poyB1 SER 184 H -0.05 0.42 0.27 -0.55 8.46 8.55 2poyB1 SER 184 HA -0.40 0.17 0.79 -0.75 4.49 4.29 2poyB1 SER 184 HB2 0.11 0.03 0.27 -0.04 3.95 4.32 2poyB1 SER 184 HB3 0.08 -0.07 -0.16 -0.04 3.93 3.73 2poyB1 GLY 185 H -0.90 0.36 0.34 -0.55 8.43 7.69 2poyB1 GLY 185 HA2 -0.18 0.07 -0.11 -0.51 4.01 3.29 2poyB1 GLY 185 HA3 -0.13 0.11 0.73 -0.51 4.01 4.21 2poyB1 VAL 186 H 0.05 0.27 0.09 -0.55 8.24 8.10 2poyB1 VAL 186 HA 0.09 0.23 0.73 -0.75 4.13 4.42 2poyB1 VAL 186 HB -0.00 0.13 0.18 -0.04 2.12 2.38 2poyB1 VAL 186 HG13 -0.04 0.02 -0.03 -0.04 0.97 0.87 2poyB1 VAL 186 HG23 0.01 -0.01 0.09 -0.04 0.95 1.00