#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hnj s ASP 2 N 0.00 3.90 0.19 0.00 -1.08 -1.26 -4.81 116.67 113.60 3hnj s ASP 2 Ca 0.00 1.71 -0.12 0.00 -0.52 0.00 0.00 52.55 53.61 3hnj s ASP 2 Cb 0.00 -2.38 0.18 0.00 -1.46 0.00 0.00 42.92 39.26 3hnj s ASP 2 CO 0.00 -2.40 1.77 0.25 0.52 0.00 0.00 175.17 175.30 3hnj h LEU 3 N -1.38 0.29 -0.78 -1.34 6.46 -1.95 -1.56 115.31 115.03 3hnj h LEU 3 Ca -0.46 0.05 0.01 0.00 -0.12 0.00 0.00 57.88 57.36 3hnj h LEU 3 Cb 1.26 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 41.15 3hnj h LEU 3 CO 0.52 0.19 0.52 -0.33 -0.62 0.00 0.00 178.44 178.72 3hnj h GLU 4 N 0.44 1.01 -0.46 1.25 3.07 -1.99 0.60 114.58 118.51 3hnj h GLU 4 Ca 0.25 -0.06 -0.12 0.00 -0.50 0.00 0.00 59.36 58.93 3hnj h GLU 4 Cb 0.22 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 27.89 3hnj h GLU 4 CO -0.21 0.67 -0.19 -0.44 -1.40 0.00 0.00 179.01 177.44 3hnj h ASP 5 N 1.05 0.92 -0.24 1.42 3.32 -1.83 -0.33 116.42 120.72 3hnj h ASP 5 Ca 0.29 -0.33 -0.09 0.00 0.02 0.00 0.00 57.03 56.92 3hnj h ASP 5 Cb -0.10 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.18 3hnj h ASP 5 CO -0.07 1.09 -0.16 0.78 -1.72 0.00 0.00 179.24 179.16 3hnj h ASN 6 N 0.79 0.66 -0.50 6.45 2.35 -0.77 -1.36 115.58 123.21 3hnj h ASN 6 Ca 0.11 -0.20 -0.11 0.00 -0.55 0.00 0.00 56.30 55.55 3hnj h ASN 6 Cb 0.74 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.91 3hnj h ASN 6 CO 0.06 0.83 -0.11 0.24 -1.65 0.00 0.00 177.43 176.80 3hnj h MET 7 N 0.60 0.99 -0.36 0.81 2.86 -0.60 -1.17 114.93 118.07 3hnj h MET 7 Ca 0.10 -0.36 -0.11 0.00 -2.06 0.00 0.00 59.70 57.27 3hnj h MET 7 Cb 0.61 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.19 3hnj h MET 7 CO 0.04 1.04 -0.23 0.93 1.06 0.00 0.00 176.91 179.74 3hnj h GLU 8 N 0.88 0.71 -0.63 1.72 4.39 -0.89 -0.49 114.58 120.27 3hnj h GLU 8 Ca 0.14 -0.29 -0.05 0.00 0.34 0.00 0.00 59.36 59.50 3hnj h GLU 8 Cb 0.67 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.26 3hnj h GLU 8 CO 0.05 0.88 0.20 1.15 -1.16 0.00 0.00 179.01 180.13 3hnj h THR 9 N 0.62 1.25 0.24 1.13 2.02 -1.10 0.11 112.91 117.18 3hnj h THR 9 Ca 0.09 -0.84 -0.01 0.00 0.77 0.00 0.00 66.41 66.42 3hnj h THR 9 Cb 0.73 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 3hnj h THR 9 CO 0.06 0.32 -0.12 -0.07 0.37 0.00 0.00 175.52 176.08 3hnj h LEU 10 N 0.90 -0.28 -0.07 2.58 4.07 -1.05 -2.30 115.31 119.17 3hnj h LEU 10 Ca 0.20 -0.04 0.02 0.00 0.08 0.00 0.00 57.88 58.14 3hnj h LEU 10 Cb 0.29 0.07 -0.02 0.00 1.08 0.00 0.00 40.66 42.08 3hnj h LEU 10 CO -0.01 -0.14 -0.04 -1.13 -1.08 0.00 0.00 178.44 176.04 3hnj h ASN 11 N -0.39 -0.14 -0.60 -0.43 -1.24 -0.98 -2.01 115.58 109.78 3hnj h ASN 11 Ca -0.03 0.03 -0.02 0.00 0.71 0.00 0.00 56.30 56.99 3hnj h ASN 11 Cb 0.30 0.08 -0.03 0.00 0.73 0.00 0.00 38.32 39.40 3hnj h ASN 11 CO 0.05 -0.06 0.30 0.44 -1.29 0.00 0.00 177.43 176.87 3hnj h ASP 12 N -0.05 0.78 0.37 1.15 5.19 -0.80 -2.60 116.42 120.47 3hnj h ASP 12 Ca 0.05 -0.12 -0.16 0.00 -0.62 0.00 0.00 57.03 56.17 3hnj h ASP 12 Cb 0.11 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.41 3hnj h ASP 12 CO -0.10 0.69 -0.68 0.78 -3.12 0.00 0.00 179.24 176.80 3hnj h ASN 13 N 0.83 0.32 -0.96 6.45 4.21 -1.38 -2.12 115.58 122.93 3hnj h ASN 13 Ca 0.21 -0.20 0.00 0.00 1.21 0.00 0.00 56.30 57.52 3hnj h ASN 13 Cb 0.10 -0.09 -0.05 0.00 -1.12 0.00 0.00 38.32 37.16 3hnj h ASN 13 CO -0.03 0.90 0.61 0.25 -1.29 0.00 0.00 177.43 177.88 3hnj h LEU 14 N 0.19 1.13 -0.59 1.61 5.85 -1.24 -1.28 115.31 120.98 3hnj h LEU 14 Ca -0.02 -0.05 -0.14 0.00 0.84 0.00 0.00 57.88 58.51 3hnj h LEU 14 Cb 1.22 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.96 3hnj h LEU 14 CO 0.11 0.84 -0.42 0.11 -0.34 0.00 0.00 178.44 178.74 3hnj h LYS 15 N 1.32 0.64 -0.92 1.25 1.57 -1.32 -2.69 116.57 116.42 3hnj h LYS 15 Ca 0.35 -0.34 0.04 0.00 -1.87 0.00 0.00 60.65 58.83 3hnj h LYS 15 Cb -0.11 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.16 3hnj h LYS 15 CO -0.07 0.94 0.59 0.28 -0.57 0.00 0.00 179.45 180.63 3hnj h VAL 16 N 0.52 1.15 -0.42 0.50 2.07 -0.99 -2.83 116.25 116.25 3hnj h VAL 16 Ca 0.04 -0.39 -0.06 0.00 0.82 0.00 0.00 66.70 67.11 3hnj h VAL 16 Cb 0.95 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 3hnj h VAL 16 CO 0.09 0.21 0.05 0.40 0.02 0.00 0.00 177.57 178.33 3hnj h ILE 17 N 1.15 1.25 -0.85 4.57 2.04 -1.06 -1.43 117.51 123.17 3hnj h ILE 17 Ca 0.37 -0.93 0.08 0.00 1.00 0.00 0.00 64.86 65.37 3hnj h ILE 17 Cb 0.01 1.03 -0.06 0.00 -0.74 0.00 0.00 36.82 37.07 3hnj h ILE 17 CO -0.12 0.32 0.55 -0.33 0.00 0.00 0.00 178.15 178.57 3hnj h GLU 18 N 0.56 0.87 -0.02 2.37 5.08 -1.30 -2.37 114.58 119.76 3hnj h GLU 18 Ca 0.13 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3hnj h GLU 18 Cb 0.41 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.46 3hnj h GLU 18 CO 0.01 0.58 -0.08 1.63 -1.00 0.00 0.00 179.01 180.15 3hnj n LYS 19 N -4.50 1.88 -2.15 2.33 5.02 -1.08 -5.00 118.16 114.67 3hnj n LYS 19 Ca 0.13 -1.43 -0.37 0.00 -2.02 0.00 0.00 58.31 54.63 3hnj n LYS 19 Cb 0.24 -1.47 0.01 0.00 -0.02 0.00 0.00 35.03 33.79 3hnj n LYS 19 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hnj s ALA 20 N -2.10 2.85 -0.20 7.82 0.00 -0.55 -5.00 121.76 124.58 3hnj s ALA 20 Ca 0.29 0.99 -0.16 0.00 0.00 0.00 0.00 51.96 53.09 3hnj s ALA 20 Cb 0.20 -3.42 -0.11 0.00 0.00 0.00 0.00 23.12 19.79 3hnj s ALA 20 CO 0.36 -0.86 -0.13 -0.25 0.00 0.00 0.00 175.76 174.88 3hnj n ASP 21 N -0.84 1.88 -4.80 0.00 9.92 -1.26 -5.05 116.55 116.39 3hnj n ASP 21 Ca 0.09 0.44 -0.26 0.00 -0.53 0.00 0.00 54.79 54.53 3hnj n ASP 21 Cb 0.48 -0.87 -0.05 0.00 -0.64 0.00 0.00 41.12 40.05 3hnj n ASP 21 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3hnj s ASN 22 N -6.55 4.48 0.20 -2.24 2.20 -1.26 -5.05 114.94 106.72 3hnj s ASN 22 Ca -0.28 -1.20 -0.10 0.00 -0.94 0.00 0.00 52.86 50.34 3hnj s ASN 22 Cb 0.07 -0.04 0.12 0.00 -2.00 0.00 0.00 41.25 39.40 3hnj s ASN 22 CO 0.44 -0.78 1.78 0.00 -2.94 0.00 0.00 177.10 175.60 3hnj h ALA 23 N 1.17 0.92 -0.60 3.54 0.00 -1.95 -3.14 119.26 119.20 3hnj h ALA 23 Ca -0.41 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 54.41 3hnj h ALA 23 Cb 1.28 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 18.73 3hnj h ALA 23 CO 0.66 0.50 0.29 0.00 0.00 0.00 0.00 179.25 180.69 3hnj h ALA 24 N 1.16 0.79 -0.19 0.00 0.00 -1.97 0.17 119.26 119.22 3hnj h ALA 24 Ca 0.24 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3hnj h ALA 24 Cb 0.15 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3hnj h ALA 24 CO -0.03 -0.08 0.12 1.96 0.00 0.00 0.00 179.25 181.22 3hnj h GLN 25 N 0.53 0.25 -0.24 0.00 4.20 -1.97 -1.37 115.11 116.51 3hnj h GLN 25 Ca 0.28 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.97 3hnj h GLN 25 Cb 0.24 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 3hnj h GLN 25 CO -0.22 0.16 0.11 0.28 -0.67 0.00 0.00 178.83 178.50 3hnj h VAL 26 N 0.25 1.14 -0.36 -0.54 2.07 -1.39 -1.86 116.25 115.56 3hnj h VAL 26 Ca 0.07 -0.40 0.05 0.00 0.82 0.00 0.00 66.70 67.24 3hnj h VAL 26 Cb -0.03 0.97 -0.05 0.00 -1.52 0.00 0.00 31.29 30.67 3hnj h VAL 26 CO -0.02 0.14 0.07 0.11 0.02 0.00 0.00 177.57 177.89 3hnj h LYS 27 N 0.25 0.19 -0.32 1.57 1.57 -0.54 -1.67 116.57 117.62 3hnj h LYS 27 Ca 0.08 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 3hnj h LYS 27 Cb 0.12 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 3hnj h LYS 27 CO -0.01 0.12 0.05 0.22 -0.57 0.00 0.00 179.45 179.26 3hnj h ASP 28 N 0.19 0.50 -0.71 0.86 1.82 -1.15 -1.83 116.42 116.11 3hnj h ASP 28 Ca 0.17 -0.26 -0.06 0.00 -0.39 0.00 0.00 57.03 56.49 3hnj h ASP 28 Cb 0.20 -0.13 -0.03 0.00 0.68 0.00 0.00 39.33 40.04 3hnj h ASP 28 CO -0.23 0.64 0.22 0.00 -1.61 0.00 0.00 179.24 178.26 3hnj h ALA 29 N 0.88 1.04 -0.46 -0.78 0.00 -1.17 -1.71 119.26 117.06 3hnj h ALA 29 Ca 0.10 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 3hnj h ALA 29 Cb 0.35 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3hnj h ALA 29 CO 0.01 0.65 -0.12 -0.07 0.00 0.00 0.00 179.25 179.72 3hnj h LEU 30 N 1.07 0.90 -0.73 0.00 3.38 -1.23 -0.84 115.31 117.86 3hnj h LEU 30 Ca 0.23 -0.37 0.06 0.00 0.09 0.00 0.00 57.88 57.89 3hnj h LEU 30 Cb 0.30 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.75 3hnj h LEU 30 CO -0.01 1.06 0.43 0.74 0.09 0.00 0.00 178.44 180.75 3hnj h THR 31 N 0.73 1.01 -0.49 0.22 2.02 -1.17 0.15 112.91 115.39 3hnj h THR 31 Ca 0.12 -0.27 -0.11 0.00 0.77 0.00 0.00 66.41 66.91 3hnj h THR 31 Cb 0.67 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 3hnj h THR 31 CO 0.05 0.14 -0.15 0.11 0.37 0.00 0.00 175.52 176.04 3hnj h LYS 32 N 0.79 0.93 -0.37 6.66 1.57 -1.08 -1.93 116.57 123.14 3hnj h LYS 32 Ca 0.32 -0.35 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 3hnj h LYS 32 Cb 0.16 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 3hnj h LYS 32 CO -0.17 1.01 0.18 0.52 -0.57 0.00 0.00 179.45 180.42 3hnj h MET 33 N 0.83 0.54 -0.39 3.15 2.86 -0.74 -2.17 114.93 119.00 3hnj h MET 33 Ca 0.12 -0.08 0.06 0.00 -2.06 0.00 0.00 59.70 57.75 3hnj h MET 33 Cb 0.69 -0.10 -0.06 0.00 0.06 0.00 0.00 31.60 32.20 3hnj h MET 33 CO 0.05 0.48 0.06 0.00 1.06 0.00 0.00 176.91 178.56 3hnj h ALA 34 N 1.03 0.41 -0.80 6.32 0.00 -0.52 -0.02 119.26 125.68 3hnj h ALA 34 Ca 0.13 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 3hnj h ALA 34 Cb 0.12 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 3hnj h ALA 34 CO -0.02 -0.34 0.49 0.00 0.00 0.00 0.00 179.25 179.38 3hnj h ALA 35 N 1.31 1.02 -0.43 0.00 0.00 -1.27 -1.92 119.26 117.98 3hnj h ALA 35 Ca 0.19 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 3hnj h ALA 35 Cb 0.24 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3hnj h ALA 35 CO -0.27 0.48 -0.05 0.00 0.00 0.00 0.00 179.25 179.41 3hnj h ALA 36 N 1.26 0.59 -0.24 0.00 0.00 -0.88 -1.07 119.26 118.92 3hnj h ALA 36 Ca 0.29 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3hnj h ALA 36 Cb -0.06 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3hnj h ALA 36 CO -0.06 0.42 0.13 0.00 0.00 0.00 0.00 179.25 179.75 3hnj h ALA 37 N 0.88 0.30 -0.75 0.00 0.00 -0.92 -1.41 119.26 117.35 3hnj h ALA 37 Ca 0.12 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3hnj h ALA 37 Cb 0.57 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 3hnj h ALA 37 CO 0.03 -0.17 0.38 0.00 0.00 0.00 0.00 179.25 179.49 3hnj h ALA 38 N 1.01 0.97 0.00 0.00 0.00 -1.28 -2.35 119.26 117.61 3hnj h ALA 38 Ca 0.08 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3hnj h ALA 38 Cb 0.07 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 3hnj h ALA 38 CO -0.01 0.52 -0.12 0.22 0.00 0.00 0.00 179.25 179.85 3hnj h ASP 39 N 1.05 0.00 1.04 0.00 3.58 -1.04 -2.64 116.42 118.41 3hnj h ASP 39 Ca 0.26 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.71 3hnj h ASP 39 Cb 0.10 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.15 3hnj h ASP 39 CO -0.04 0.12 -0.12 0.00 -2.88 0.00 0.00 179.24 176.33 3hnj n ALA 40 N -2.19 2.54 -0.19 -0.78 0.00 -0.55 -4.52 120.51 114.82 3hnj n ALA 40 Ca -0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 53.44 53.30 3hnj n ALA 40 Cb 0.33 -1.40 0.08 0.00 0.00 0.00 0.00 19.45 18.45 3hnj n ALA 40 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 3hnj h TRP 41 N 0.00 -0.10 -0.58 0.00 2.91 -1.31 -1.67 115.95 115.21 3hnj h TRP 41 Ca 0.00 0.04 0.00 0.00 1.13 0.00 0.00 58.89 60.06 3hnj h TRP 41 Cb 0.58 0.13 0.00 0.00 -0.51 0.00 0.00 29.16 29.36 3hnj h TRP 41 CO 0.00 -0.17 0.00 0.43 -1.03 0.00 0.00 178.44 177.67 3hnj n SER 42 N -5.29 4.57 -4.77 2.65 7.64 -1.26 -4.82 113.62 112.33 3hnj n SER 42 Ca 0.07 -2.50 -0.38 0.00 1.01 0.00 0.00 58.87 57.07 3hnj n SER 42 Cb 0.32 -0.58 -0.04 0.00 -1.01 0.00 0.00 64.21 62.90 3hnj n SER 42 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hnj s ALA 43 N -1.99 3.21 -0.30 -0.43 0.00 -0.63 -5.04 121.76 116.59 3hnj s ALA 43 Ca 0.47 0.82 -0.09 0.00 0.00 0.00 0.00 51.96 53.16 3hnj s ALA 43 Cb 0.32 -3.31 -0.01 0.00 0.00 0.00 0.00 23.12 20.11 3hnj s ALA 43 CO 0.21 -0.26 0.14 0.99 0.00 0.00 0.00 175.76 176.84 3hnj s THR 44 N -1.43 4.52 0.47 0.00 2.01 -1.26 -5.03 115.64 114.92 3hnj s THR 44 Ca 0.53 -0.41 -0.21 0.00 0.31 0.00 0.00 61.69 61.91 3hnj s THR 44 Cb -0.27 -3.29 -0.08 0.00 0.01 0.00 0.00 72.50 68.87 3hnj s THR 44 CO 0.34 0.10 1.08 -2.16 -0.69 0.00 0.00 174.62 173.30 3hnj s PRO 45 N 1.61 3.77 0.30 4.92 0.04 -1.26 -4.87 135.00 139.51 3hnj s PRO 45 Ca 0.05 1.53 0.07 0.00 0.04 0.00 0.00 61.00 62.68 3hnj s PRO 45 Cb -0.17 -2.23 0.81 0.00 0.04 0.00 0.00 34.50 32.95 3hnj s PRO 45 CO 0.06 -0.48 1.70 -1.35 0.04 0.00 0.00 177.00 176.96 3hnj h PRO 46 N 1.78 0.41 0.00 0.56 0.11 -1.99 0.45 132.00 133.32 3hnj h PRO 46 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3hnj h PRO 46 Cb 1.23 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3hnj h PRO 46 CO 0.59 0.27 0.00 -0.22 -0.21 0.00 0.00 178.00 178.43 3hnj h LYS 47 N 0.42 0.00 -0.09 1.05 1.63 -1.93 -2.81 116.57 114.85 3hnj h LYS 47 Ca 0.60 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.40 3hnj h LYS 47 Cb 1.19 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.82 3hnj h LYS 47 CO -0.54 0.00 0.00 1.28 -3.45 0.00 0.00 179.45 176.74 3hnj n LEU 48 N -3.04 2.64 -0.10 5.20 4.77 0.11 -4.74 117.00 121.85 3hnj n LEU 48 Ca -0.01 -2.72 0.08 0.00 -0.03 0.00 0.00 56.01 53.33 3hnj n LEU 48 Cb 0.19 -0.34 0.43 0.00 -2.33 0.00 0.00 43.42 41.37 3hnj n LEU 48 CO 0.23 0.66 1.19 -0.33 -1.33 0.00 0.00 177.39 177.81 3hnj h GLU 49 N 0.57 0.55 0.00 3.23 5.08 -1.19 -2.14 114.58 120.69 3hnj h GLU 49 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3hnj h GLU 49 Cb 0.95 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.08 3hnj h GLU 49 CO 0.05 0.36 -0.31 -0.40 -1.00 0.00 0.00 179.01 177.71 3hnj n ASP 50 N -4.48 0.64 -4.85 1.42 5.75 -1.26 -4.92 116.55 108.86 3hnj n ASP 50 Ca 0.08 0.29 -0.32 0.00 -0.01 0.00 0.00 54.79 54.84 3hnj n ASP 50 Cb 0.24 -0.26 -0.03 0.00 -1.03 0.00 0.00 41.12 40.04 3hnj n ASP 50 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3hnj s LYS 51 N -3.11 3.92 0.33 0.11 -0.14 -0.80 -5.03 119.74 115.03 3hnj s LYS 51 Ca 0.09 0.90 -0.29 0.00 -1.36 0.00 0.00 55.97 55.32 3hnj s LYS 51 Cb 0.14 -2.16 -0.10 0.00 -1.68 0.00 0.00 37.83 34.03 3hnj s LYS 51 CO 0.65 -0.26 1.34 0.45 -0.76 0.00 0.00 175.35 176.77 3hnj s SER 52 N -3.12 6.71 0.64 2.83 0.15 -1.26 -4.91 113.70 114.75 3hnj s SER 52 Ca 0.58 2.74 0.34 0.00 0.70 0.00 0.00 55.95 60.30 3hnj s SER 52 Cb -0.10 -2.65 1.85 0.00 -1.71 0.00 0.00 66.02 63.41 3hnj s SER 52 CO 0.32 -0.59 2.10 -0.65 1.20 0.00 0.00 173.24 175.62 3hnj h PRO 53 N 3.41 0.00 -0.17 5.44 0.11 -1.95 -0.99 132.00 137.85 3hnj h PRO 53 Ca -0.49 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.53 3hnj h PRO 53 Cb 1.23 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.29 3hnj h PRO 53 CO 0.66 0.00 -0.28 -0.25 -0.21 0.00 0.00 178.00 177.92 3hnj n ASP 54 N -3.27 2.12 -4.81 -2.05 8.00 -1.26 -4.67 116.55 110.61 3hnj n ASP 54 Ca -0.01 -3.82 -0.31 0.00 0.71 0.00 0.00 54.79 51.37 3hnj n ASP 54 Cb 0.29 -0.58 0.06 0.00 -0.02 0.00 0.00 41.12 40.87 3hnj n ASP 54 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3hnj s SER 55 N -2.88 5.24 0.33 -2.24 1.04 -0.38 -4.88 113.70 109.94 3hnj s SER 55 Ca 0.41 1.65 0.08 0.00 0.48 0.00 0.00 55.95 58.57 3hnj s SER 55 Cb 0.38 -2.50 0.79 0.00 0.10 0.00 0.00 66.02 64.79 3hnj s SER 55 CO -0.03 -1.54 1.81 -0.65 0.98 0.00 0.00 173.24 173.81 3hnj h PRO 56 N -0.78 0.71 -0.39 4.02 0.11 -1.96 -1.67 132.00 132.03 3hnj h PRO 56 Ca -0.44 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.56 3hnj h PRO 56 Cb 1.21 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 3hnj h PRO 56 CO 0.56 0.47 -0.03 0.93 -0.21 0.00 0.00 178.00 179.72 3hnj h GLU 57 N 0.73 0.71 -0.35 1.05 3.07 -1.92 -0.59 114.58 117.28 3hnj h GLU 57 Ca 0.53 -0.24 -0.12 0.00 -0.50 0.00 0.00 59.36 59.03 3hnj h GLU 57 Cb 0.86 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.70 3hnj h GLU 57 CO -0.30 0.82 -0.27 0.52 -1.40 0.00 0.00 179.01 178.39 3hnj h MET 58 N 0.53 0.72 -0.29 2.33 2.86 -1.71 0.23 114.93 119.61 3hnj h MET 58 Ca 0.11 -0.31 -0.02 0.00 -2.06 0.00 0.00 59.70 57.42 3hnj h MET 58 Cb 0.52 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.14 3hnj h MET 58 CO 0.03 0.91 0.12 0.45 1.06 0.00 0.00 176.91 179.47 3hnj h HIS 59 N 0.62 0.45 -0.67 -0.22 3.86 -1.24 -0.47 115.15 117.48 3hnj h HIS 59 Ca 0.08 -0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.20 3hnj h HIS 59 Cb 0.77 -0.13 -0.03 0.00 1.06 0.00 0.00 27.41 29.08 3hnj h HIS 59 CO 0.04 0.44 0.21 0.22 0.86 0.00 0.00 177.93 179.70 3hnj h ASP 60 N 0.32 0.95 0.09 2.45 3.58 -0.86 -0.25 116.42 122.70 3hnj h ASP 60 Ca 0.10 -0.17 -0.00 0.00 0.42 0.00 0.00 57.03 57.37 3hnj h ASP 60 Cb 0.19 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 40.99 3hnj h ASP 60 CO -0.01 0.89 -0.04 0.15 -2.88 0.00 0.00 179.24 177.35 3hnj h PHE 61 N 0.99 -0.11 -0.75 0.28 3.57 -0.33 -2.63 116.94 117.96 3hnj h PHE 61 Ca 0.22 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.70 3hnj h PHE 61 Cb 0.28 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.02 3hnj h PHE 61 CO 0.02 -0.07 0.39 0.00 -2.23 0.00 0.00 178.31 176.42 3hnj h ARG 62 N -0.12 1.04 -0.95 1.11 3.08 -0.92 -2.67 114.38 114.95 3hnj h ARG 62 Ca -0.01 -0.12 0.12 0.00 0.07 0.00 0.00 59.98 60.03 3hnj h ARG 62 Cb 0.10 -0.20 -0.07 0.00 0.08 0.00 0.00 29.97 29.87 3hnj h ARG 62 CO 0.02 0.77 0.60 1.25 -1.07 0.00 0.00 179.97 181.55 3hnj h HIS 63 N 1.04 1.02 -0.69 3.04 2.76 -0.76 -0.21 115.15 121.35 3hnj h HIS 63 Ca 0.26 0.03 0.02 0.00 -2.20 0.00 0.00 60.37 58.48 3hnj h HIS 63 Cb 0.05 -0.32 -0.04 0.00 1.55 0.00 0.00 27.41 28.65 3hnj h HIS 63 CO 0.01 0.42 0.46 0.78 -1.30 0.00 0.00 177.93 178.29 3hnj h GLY 64 N 0.90 0.96 1.35 5.26 0.00 -1.12 -1.74 103.07 108.67 3hnj h GLY 64 Ca 0.46 -0.34 -0.14 0.00 0.00 0.00 0.00 47.33 47.31 3hnj h GLY 64 CO -0.22 0.31 -0.39 0.74 0.00 0.00 0.00 176.54 176.98 3hnj h PHE 65 N 0.88 0.85 -0.41 5.60 0.05 -1.07 -2.05 116.94 120.79 3hnj h PHE 65 Ca 0.27 -0.25 0.08 0.00 3.82 0.00 0.00 57.97 61.89 3hnj h PHE 65 Cb -0.01 -0.18 -0.07 0.00 2.00 0.00 0.00 35.95 37.69 3hnj h PHE 65 CO -0.00 0.99 -0.01 -1.49 -0.18 0.00 0.00 178.31 177.62 3hnj h TRP 66 N 0.59 -0.04 -0.61 -0.55 6.55 -0.70 -0.00 115.95 121.19 3hnj h TRP 66 Ca 0.05 0.03 -0.03 0.00 0.95 0.00 0.00 58.89 59.89 3hnj h TRP 66 Cb 0.92 0.08 -0.03 0.00 -0.86 0.00 0.00 29.16 29.28 3hnj h TRP 66 CO 0.05 -0.09 0.25 -0.07 -1.05 0.00 0.00 178.44 177.53 3hnj h LEU 67 N 0.10 0.84 -0.36 -4.49 3.38 -1.18 -0.71 115.31 112.88 3hnj h LEU 67 Ca 0.20 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 3hnj h LEU 67 Cb 0.29 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3hnj h LEU 67 CO -0.34 0.77 0.05 0.25 0.09 0.00 0.00 178.44 179.26 3hnj h LEU 68 N 0.85 0.58 -0.37 1.67 5.85 -1.04 -1.20 115.31 121.65 3hnj h LEU 68 Ca 0.21 -0.27 0.02 0.00 0.84 0.00 0.00 57.88 58.67 3hnj h LEU 68 Cb 0.19 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 3hnj h LEU 68 CO -0.02 0.70 0.22 0.40 -0.34 0.00 0.00 178.44 179.40 3hnj h ILE 69 N 0.44 1.04 -0.44 4.05 2.04 -0.84 -1.31 117.51 122.49 3hnj h ILE 69 Ca 0.11 -0.15 0.04 0.00 1.00 0.00 0.00 64.86 65.86 3hnj h ILE 69 Cb 0.37 0.56 -0.04 0.00 -0.74 0.00 0.00 36.82 36.97 3hnj h ILE 69 CO 0.01 0.08 0.22 1.23 0.00 0.00 0.00 178.15 179.68 3hnj h GLY 70 N 0.44 0.60 0.99 5.37 0.00 -0.99 -1.40 103.07 108.09 3hnj h GLY 70 Ca 0.15 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3hnj h GLY 70 CO -0.07 0.10 0.32 0.00 0.00 0.00 0.00 176.54 176.89 3hnj h ALA 71 N 1.24 0.79 -0.46 3.60 0.00 -1.00 -2.60 119.26 120.84 3hnj h ALA 71 Ca 0.19 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3hnj h ALA 71 Cb 0.11 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3hnj h ALA 71 CO -0.14 0.34 0.19 0.82 0.00 0.00 0.00 179.25 180.46 3hnj h ILE 72 N 0.84 1.20 -0.54 0.00 2.04 -1.09 -2.28 117.51 117.68 3hnj h ILE 72 Ca 0.21 -0.61 0.09 0.00 1.00 0.00 0.00 64.86 65.56 3hnj h ILE 72 Cb 0.08 0.76 -0.11 0.00 -0.74 0.00 0.00 36.82 36.81 3hnj h ILE 72 CO -0.03 0.23 -0.38 -0.74 0.00 0.00 0.00 178.15 177.23 3hnj h HIS 73 N 0.59 -1.09 -0.38 1.37 2.76 -1.03 -0.82 115.15 116.55 3hnj h HIS 73 Ca 0.15 0.07 -0.06 0.00 -2.20 0.00 0.00 60.37 58.34 3hnj h HIS 73 Cb 0.18 0.56 -0.01 0.00 1.55 0.00 0.00 27.41 29.68 3hnj h HIS 73 CO -0.00 -0.41 0.01 0.22 -1.30 0.00 0.00 177.93 176.46 3hnj h ASP 74 N -0.22 0.64 -0.95 3.26 1.82 -1.38 -2.75 116.42 116.84 3hnj h ASP 74 Ca 0.20 -0.30 0.10 0.00 -0.39 0.00 0.00 57.03 56.63 3hnj h ASP 74 Cb 0.56 -0.17 -0.07 0.00 0.68 0.00 0.00 39.33 40.33 3hnj h ASP 74 CO -0.65 0.78 0.61 0.00 -1.61 0.00 0.00 179.24 178.37 3hnj h ALA 75 N 0.88 1.55 -0.50 -0.78 0.00 -1.16 -2.30 119.26 116.94 3hnj h ALA 75 Ca 0.11 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 3hnj h ALA 75 Cb 0.45 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3hnj h ALA 75 CO 0.02 0.25 -0.13 1.25 0.00 0.00 0.00 179.25 180.63 3hnj h LEU 76 N 0.98 0.96 -0.87 0.00 5.85 -0.99 -1.89 115.31 119.34 3hnj h LEU 76 Ca 0.45 -0.32 0.04 0.00 0.84 0.00 0.00 57.88 58.88 3hnj h LEU 76 Cb 0.39 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.11 3hnj h LEU 76 CO -0.20 1.08 0.56 0.45 -0.34 0.00 0.00 178.44 179.99 3hnj h HIS 77 N 0.84 1.04 -0.77 1.25 3.86 -1.15 0.18 115.15 120.40 3hnj h HIS 77 Ca 0.13 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.33 3hnj h HIS 77 Cb 0.68 -0.34 -0.03 0.00 1.06 0.00 0.00 27.41 28.77 3hnj h HIS 77 CO 0.04 0.59 0.34 -0.07 0.86 0.00 0.00 177.93 179.69 3hnj h LEU 78 N 1.07 1.04 -0.58 2.43 3.38 -1.17 -1.06 115.31 120.42 3hnj h LEU 78 Ca 0.35 -0.15 -0.14 0.00 0.09 0.00 0.00 57.88 58.03 3hnj h LEU 78 Cb 0.03 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 3hnj h LEU 78 CO -0.12 0.91 -0.35 0.00 0.09 0.00 0.00 178.44 178.96 3hnj h ALA 79 N 1.18 0.76 -0.09 1.53 0.00 -0.98 0.69 119.26 122.35 3hnj h ALA 79 Ca 0.26 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3hnj h ALA 79 Cb 0.17 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3hnj h ALA 79 CO -0.03 0.65 -0.04 -0.91 0.00 0.00 0.00 179.25 178.92 3hnj h ASN 80 N 0.63 0.12 -0.07 0.00 -0.26 -0.30 -2.38 115.58 113.31 3hnj h ASN 80 Ca 0.06 -0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.79 3hnj h ASN 80 Cb 0.89 -0.03 0.00 0.00 -1.06 0.00 0.00 38.32 38.12 3hnj h ASN 80 CO 0.08 0.19 0.00 -0.62 -1.06 0.00 0.00 177.43 176.02 3hnj n GLU 81 N -4.41 1.42 -0.99 0.81 1.02 -0.43 -4.90 120.64 113.16 3hnj n GLU 81 Ca -0.01 -0.63 0.00 0.00 -0.02 0.00 0.00 57.16 56.49 3hnj n GLU 81 Cb 0.17 -1.39 0.00 0.00 -0.02 0.00 0.00 31.44 30.20 3hnj n GLU 81 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hnj n GLY 82 N 1.03 0.70 2.80 0.62 0.00 -0.90 -4.95 105.19 104.48 3hnj n GLY 82 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3hnj n GLY 82 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hnj n LYS 83 N -2.60 3.49 -0.01 1.61 5.02 0.22 -4.78 118.16 121.11 3hnj n LYS 83 Ca 0.00 -3.27 -0.11 0.00 -2.02 0.00 0.00 58.31 52.91 3hnj n LYS 83 Cb 0.00 -2.99 -0.06 0.00 -0.02 0.00 0.00 35.03 31.96 3hnj n LYS 83 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3hnj h VAL 84 N 3.72 1.09 -0.59 -0.18 2.07 -1.87 -1.29 116.25 119.19 3hnj h VAL 84 Ca 0.46 -0.26 0.02 0.00 0.82 0.00 0.00 66.70 67.74 3hnj h VAL 84 Cb 0.60 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 3hnj h VAL 84 CO 1.69 0.08 0.38 0.11 0.02 0.00 0.00 177.57 179.85 3hnj h LYS 85 N 0.04 0.74 -0.03 1.57 1.79 -1.96 -0.31 116.57 118.41 3hnj h LYS 85 Ca 0.03 -0.04 -0.11 0.00 -2.18 0.00 0.00 60.65 58.35 3hnj h LYS 85 Cb 0.09 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.56 3hnj h LYS 85 CO -0.00 0.49 -0.48 1.05 -1.08 0.00 0.00 179.45 179.42 3hnj h GLU 86 N 0.76 0.08 -0.38 3.15 9.09 -1.92 -0.56 114.58 124.80 3hnj h GLU 86 Ca 0.23 -0.04 -0.04 0.00 0.05 0.00 0.00 59.36 59.56 3hnj h GLU 86 Cb -0.03 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.05 3hnj h GLU 86 CO -0.07 0.54 0.10 0.00 0.05 0.00 0.00 179.01 179.63 3hnj h ALA 87 N 1.45 0.50 -0.83 1.06 0.00 -0.77 -0.22 119.26 120.45 3hnj h ALA 87 Ca 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3hnj h ALA 87 Cb 0.87 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 3hnj h ALA 87 CO 0.07 0.17 0.43 1.96 0.00 0.00 0.00 179.25 181.88 3hnj h GLN 88 N 0.46 1.18 -0.41 0.00 4.20 -0.81 -1.03 115.11 118.69 3hnj h GLN 88 Ca 0.12 -0.15 0.03 0.00 0.06 0.00 0.00 58.65 58.70 3hnj h GLN 88 Cb 0.30 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 27.83 3hnj h GLN 88 CO 0.00 0.88 0.22 0.87 -0.67 0.00 0.00 178.83 180.13 3hnj h LYS 89 N 1.17 0.44 -0.73 1.46 1.79 -0.95 -1.42 116.57 118.32 3hnj h LYS 89 Ca 0.29 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.73 3hnj h LYS 89 Cb 0.07 -0.10 -0.04 0.00 -1.58 0.00 0.00 32.23 30.58 3hnj h LYS 89 CO -0.04 0.29 0.45 0.00 -1.08 0.00 0.00 179.45 179.06 3hnj h ALA 90 N 1.20 1.41 -0.54 3.86 0.00 -0.67 -1.47 119.26 123.06 3hnj h ALA 90 Ca 0.17 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 3hnj h ALA 90 Cb 0.05 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3hnj h ALA 90 CO -0.10 0.51 -0.07 0.00 0.00 0.00 0.00 179.25 179.59 3hnj h ALA 91 N 1.49 0.87 -0.47 0.00 0.00 -0.85 -2.49 119.26 117.81 3hnj h ALA 91 Ca 0.26 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3hnj h ALA 91 Cb -0.05 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3hnj h ALA 91 CO -0.05 0.65 0.25 0.93 0.00 0.00 0.00 179.25 181.03 3hnj h GLU 92 N 0.88 0.67 -0.51 0.00 4.39 -0.69 -3.08 114.58 116.24 3hnj h GLU 92 Ca 0.15 -0.09 -0.03 0.00 0.34 0.00 0.00 59.36 59.73 3hnj h GLU 92 Cb 0.61 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.11 3hnj h GLU 92 CO 0.04 0.54 0.19 -0.07 -1.16 0.00 0.00 179.01 178.56 3hnj h LEU 93 N 0.62 0.66 0.00 1.33 3.38 -1.16 -2.79 115.31 117.36 3hnj h LEU 93 Ca 0.16 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3hnj h LEU 93 Cb 0.08 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.66 3hnj h LEU 93 CO -0.02 0.61 0.00 0.00 0.09 0.00 0.00 178.44 179.11 3hnj n LEU 94 N -4.34 0.00 0.17 1.67 -0.00 -0.95 -2.48 117.00 111.08 3hnj n LEU 94 Ca 0.04 0.25 0.13 0.00 -0.00 0.00 0.00 56.01 56.43 3hnj n LEU 94 Cb 0.16 -0.25 0.69 0.00 -0.00 0.00 0.00 43.42 44.02 3hnj n LEU 94 CO 0.38 -0.05 1.12 0.11 -0.00 0.00 0.00 177.39 178.94 3hnj h LYS 95 N 0.00 0.00 -0.19 1.47 1.57 -1.57 -0.93 116.57 116.92 3hnj h LYS 95 Ca 0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 3hnj h LYS 95 Cb 0.19 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 3hnj h LYS 95 CO 0.00 0.00 -0.06 0.00 -0.57 0.00 0.00 179.45 178.82 3hnj h ALA 96 N 1.89 1.54 -0.20 3.86 0.00 -1.71 -0.17 119.26 124.48 3hnj h ALA 96 Ca 0.09 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 3hnj h ALA 96 Cb 0.37 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3hnj h ALA 96 CO -0.00 0.33 -0.10 0.82 0.00 0.00 0.00 179.25 180.30 3hnj h ILE 97 N 0.28 1.31 -0.23 0.00 2.04 -1.38 -0.33 117.51 119.21 3hnj h ILE 97 Ca 0.06 -1.18 0.05 0.00 1.00 0.00 0.00 64.86 64.80 3hnj h ILE 97 Cb 0.30 1.66 -0.05 0.00 -0.74 0.00 0.00 36.82 37.99 3hnj h ILE 97 CO 0.01 0.36 -0.09 0.00 0.00 0.00 0.00 178.15 178.43 3hnj h ASN 99 N -0.06 1.04 -0.52 0.00 -0.26 -0.95 -1.70 115.58 113.14 3hnj h ASN 99 Ca 0.12 -0.29 -0.01 0.00 -0.56 0.00 0.00 56.30 55.56 3hnj h ASN 99 Cb 0.23 -0.28 -0.02 0.00 -1.06 0.00 0.00 38.32 37.19 3hnj h ASN 99 CO -0.27 1.08 0.27 0.00 -1.06 0.00 0.00 177.43 177.45 3hnj h ALA 100 N 1.02 0.66 -0.12 -0.83 0.00 -0.95 -0.98 119.26 118.07 3hnj h ALA 100 Ca 0.18 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3hnj h ALA 100 Cb 0.54 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 3hnj h ALA 100 CO 0.03 0.21 -0.10 0.00 0.00 0.00 0.00 179.25 179.38 3hnj h HIS 102 N -0.09 0.55 -0.87 0.00 -0.00 -1.23 0.10 115.15 113.61 3hnj h HIS 102 Ca 0.02 0.04 0.08 0.00 -0.00 0.00 0.00 60.37 60.50 3hnj h HIS 102 Cb 0.61 -0.13 -0.07 0.00 -0.00 0.00 0.00 27.41 27.83 3hnj h HIS 102 CO 0.08 0.09 0.53 0.37 -0.00 0.00 0.00 177.93 179.00 3hnj h GLN 103 N 0.47 0.90 0.19 2.45 5.75 -1.20 -1.37 115.11 122.31 3hnj h GLN 103 Ca 0.41 -0.05 -0.34 0.00 -0.15 0.00 0.00 58.65 58.52 3hnj h GLN 103 Cb 0.60 -0.20 0.01 0.00 1.07 0.00 0.00 27.48 28.96 3hnj h GLN 103 CO -0.38 0.60 -1.63 0.87 -2.65 0.00 0.00 178.83 175.64 3hnj h LYS 104 N 0.93 0.40 0.00 1.69 1.57 -1.36 -3.43 116.57 116.38 3hnj h LYS 104 Ca 0.39 -0.69 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 3hnj h LYS 104 Cb 0.25 0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.81 3hnj h LYS 104 CO -0.20 1.31 -0.00 0.66 -0.57 0.00 0.00 179.45 180.65 3hnj n TYR 105 N -3.60 0.00 1.53 -1.35 4.02 0.30 -5.12 117.16 112.94 3hnj n TYR 105 Ca -0.21 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 57.82 3hnj n TYR 105 Cb 1.08 0.00 0.55 0.00 -0.02 0.00 0.00 39.34 40.95 3hnj n TYR 105 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72