#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 4.72 0.20 0.00 1.47 -1.26 -4.81 116.67 117.00 3hnj s ASP 2 Ca 0.00 1.65 -0.10 0.00 1.18 0.00 0.00 52.55 55.28 3hnj s ASP 2 Cb 0.00 -2.42 0.25 0.00 -0.34 0.00 0.00 42.92 40.41 3hnj s ASP 2 CO 0.00 -1.87 1.76 0.25 0.68 0.00 0.00 175.17 175.99 3hnj h LEU 3 N -1.01 0.28 -0.49 2.11 6.46 -1.96 -1.14 115.31 119.55 3hnj h LEU 3 Ca -0.45 0.06 0.03 0.00 -0.12 0.00 0.00 57.88 57.41 3hnj h LEU 3 Cb 1.23 0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 41.15 3hnj h LEU 3 CO 0.55 0.18 0.28 -0.33 -0.62 0.00 0.00 178.44 178.49 3hnj h GLU 4 N 0.45 0.53 -0.64 1.25 5.08 -1.99 0.09 114.58 119.36 3hnj h GLU 4 Ca 0.29 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.59 3hnj h GLU 4 Cb 0.31 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 3hnj h GLU 4 CO -0.27 0.35 0.28 -0.44 -1.00 0.00 0.00 179.01 177.94 3hnj h ASP 5 N 0.55 0.86 -0.15 1.42 3.32 -1.77 -0.22 116.42 120.42 3hnj h ASP 5 Ca 0.21 -0.15 -0.09 0.00 0.02 0.00 0.00 57.03 57.02 3hnj h ASP 5 Cb 0.06 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 3hnj h ASP 5 CO -0.11 0.77 -0.18 0.78 -1.72 0.00 0.00 179.24 178.78 3hnj h ASN 6 N 0.89 0.55 -0.23 6.45 2.35 -0.83 -1.00 115.58 123.76 3hnj h ASN 6 Ca 0.22 -0.17 -0.14 0.00 -0.55 0.00 0.00 56.30 55.66 3hnj h ASN 6 Cb 0.16 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 3hnj h ASN 6 CO -0.02 0.74 -0.36 0.24 -1.65 0.00 0.00 177.43 176.38 3hnj h MET 7 N 0.50 0.75 -0.57 0.81 2.86 -0.74 -1.67 114.93 116.87 3hnj h MET 7 Ca 0.08 -0.37 -0.05 0.00 -2.06 0.00 0.00 59.70 57.30 3hnj h MET 7 Cb 0.59 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.23 3hnj h MET 7 CO 0.04 0.99 0.16 0.93 1.06 0.00 0.00 176.91 180.09 3hnj h GLU 8 N 0.63 0.90 -0.68 1.72 5.08 -0.87 -0.84 114.58 120.52 3hnj h GLU 8 Ca 0.06 -0.21 -0.03 0.00 -1.00 0.00 0.00 59.36 58.19 3hnj h GLU 8 Cb 0.90 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.99 3hnj h GLU 8 CO 0.08 0.83 0.32 1.15 -1.00 0.00 0.00 179.01 180.39 3hnj h THR 9 N 0.81 1.23 0.12 1.13 2.02 -1.10 0.79 112.91 117.91 3hnj h THR 9 Ca 0.18 -0.65 -0.01 0.00 0.77 0.00 0.00 66.41 66.71 3hnj h THR 9 Cb 0.32 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 3hnj h THR 9 CO -0.00 0.27 -0.06 -0.07 0.37 0.00 0.00 175.52 176.03 3hnj h LEU 10 N 0.95 -0.13 -0.07 2.58 4.07 -1.19 -2.28 115.31 119.23 3hnj h LEU 10 Ca 0.23 -0.09 0.01 0.00 0.08 0.00 0.00 57.88 58.12 3hnj h LEU 10 Cb 0.13 0.03 -0.01 0.00 1.08 0.00 0.00 40.66 41.89 3hnj h LEU 10 CO -0.03 0.00 -0.00 -1.13 -1.08 0.00 0.00 178.44 176.20 3hnj h ASN 11 N -0.26 -0.03 -0.58 -0.43 -1.24 -0.99 -2.06 115.58 109.98 3hnj h ASN 11 Ca -0.02 0.02 -0.00 0.00 0.71 0.00 0.00 56.30 57.01 3hnj h ASN 11 Cb 0.21 0.03 -0.03 0.00 0.73 0.00 0.00 38.32 39.26 3hnj h ASN 11 CO 0.03 -0.00 0.35 0.44 -1.29 0.00 0.00 177.43 176.95 3hnj h ASP 12 N 0.02 0.70 0.75 1.15 3.32 -0.86 -2.74 116.42 118.76 3hnj h ASP 12 Ca 0.03 -0.06 -0.13 0.00 0.02 0.00 0.00 57.03 56.89 3hnj h ASP 12 Cb 0.04 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 3hnj h ASP 12 CO -0.06 0.56 -0.62 0.78 -1.72 0.00 0.00 179.24 178.19 3hnj h ASN 13 N 0.79 0.00 -0.69 6.45 4.21 -1.35 -1.81 115.58 123.19 3hnj h ASN 13 Ca 0.21 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.67 3hnj h ASN 13 Cb -0.01 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.16 3hnj h ASN 13 CO -0.04 0.62 0.22 0.25 -1.29 0.00 0.00 177.43 177.19 3hnj h LEU 14 N 0.00 0.99 -0.71 1.61 5.85 -1.26 -1.60 115.31 120.19 3hnj h LEU 14 Ca -0.01 -0.20 -0.10 0.00 0.84 0.00 0.00 57.88 58.41 3hnj h LEU 14 Cb 1.16 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.91 3hnj h LEU 14 CO 0.08 0.93 -0.12 0.11 -0.34 0.00 0.00 178.44 179.10 3hnj h LYS 15 N 1.00 0.87 -0.80 1.25 1.57 -1.22 -2.63 116.57 116.61 3hnj h LYS 15 Ca 0.22 -0.31 0.03 0.00 -1.87 0.00 0.00 60.65 58.73 3hnj h LYS 15 Cb 0.29 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.49 3hnj h LYS 15 CO -0.01 0.94 0.51 0.28 -0.57 0.00 0.00 179.45 180.61 3hnj h VAL 16 N 0.78 1.13 -0.38 0.50 2.07 -1.10 -2.77 116.25 116.47 3hnj h VAL 16 Ca 0.13 -0.34 -0.03 0.00 0.82 0.00 0.00 66.70 67.27 3hnj h VAL 16 Cb 0.63 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 3hnj h VAL 16 CO 0.04 0.18 0.11 0.40 0.02 0.00 0.00 177.57 178.33 3hnj h ILE 17 N 1.00 1.22 -0.77 4.57 2.04 -1.10 -1.34 117.51 123.13 3hnj h ILE 17 Ca 0.32 -0.73 0.06 0.00 1.00 0.00 0.00 64.86 65.51 3hnj h ILE 17 Cb 0.01 0.97 -0.05 0.00 -0.74 0.00 0.00 36.82 37.01 3hnj h ILE 17 CO -0.11 0.25 0.51 -0.08 0.00 0.00 0.00 178.15 178.72 3hnj h GLU 18 N 0.47 0.82 -0.01 2.37 4.81 -1.32 -2.41 114.58 119.31 3hnj h GLU 18 Ca 0.12 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 3hnj h GLU 18 Cb 0.28 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.47 3hnj h GLU 18 CO -0.00 0.54 -0.40 1.63 -0.73 0.00 0.00 179.01 180.05 3hnj n LYS 19 N -4.48 0.55 -2.10 1.92 5.02 -1.06 -4.99 118.16 113.03 3hnj n LYS 19 Ca 0.11 -0.35 -0.38 0.00 -2.02 0.00 0.00 58.31 55.68 3hnj n LYS 19 Cb 0.20 -1.49 0.01 0.00 -0.02 0.00 0.00 35.03 33.73 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 -2.69 2.93 -0.22 7.82 0.00 -0.52 -4.99 121.76 124.08 3hnj s ALA 20 Ca 0.18 1.07 -0.14 0.00 0.00 0.00 0.00 51.96 53.08 3hnj s ALA 20 Cb 0.18 -3.45 -0.18 0.00 0.00 0.00 0.00 23.12 19.68 3hnj s ALA 20 CO 0.61 -0.90 -0.00 -0.25 0.00 0.00 0.00 175.76 175.22 3hnj n ASP 21 N -0.66 1.95 -4.69 0.00 10.43 -1.26 -5.05 116.55 117.27 3hnj n ASP 21 Ca 0.08 0.29 -0.27 0.00 2.57 0.00 0.00 54.79 57.47 3hnj n ASP 21 Cb 0.47 -0.84 -0.09 0.00 1.84 0.00 0.00 41.12 42.51 3hnj n ASP 21 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3hnj s ASN 22 N -7.06 4.17 0.21 -2.24 2.20 -1.26 -5.06 114.94 105.91 3hnj s ASN 22 Ca -0.32 -1.25 -0.09 0.00 -0.94 0.00 0.00 52.86 50.26 3hnj s ASN 22 Cb 0.09 -0.35 0.15 0.00 -2.00 0.00 0.00 41.25 39.14 3hnj s ASN 22 CO 0.59 -0.54 1.82 0.00 -2.94 0.00 0.00 177.10 176.03 3hnj h ALA 23 N 1.55 0.98 -0.66 3.54 0.00 -1.95 -3.11 119.26 119.60 3hnj h ALA 23 Ca -0.43 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 54.42 3hnj h ALA 23 Cb 1.25 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.68 3hnj h ALA 23 CO 0.75 0.49 0.37 0.00 0.00 0.00 0.00 179.25 180.85 3hnj h ALA 24 N 1.21 0.88 -0.18 0.00 0.00 -1.97 0.16 119.26 119.37 3hnj h ALA 24 Ca 0.27 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.20 3hnj h ALA 24 Cb 0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3hnj h ALA 24 CO -0.04 0.04 0.10 1.96 0.00 0.00 0.00 179.25 181.31 3hnj h GLN 25 N 0.68 0.21 -0.23 0.00 4.20 -1.97 -1.26 115.11 116.74 3hnj h GLN 25 Ca 0.30 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.97 3hnj h GLN 25 Cb 0.18 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 3hnj h GLN 25 CO -0.18 0.14 0.06 0.28 -0.67 0.00 0.00 178.83 178.46 3hnj h VAL 26 N 0.22 1.20 -0.45 -0.54 2.07 -1.41 -2.00 116.25 115.33 3hnj h VAL 26 Ca 0.07 -0.65 0.06 0.00 0.82 0.00 0.00 66.70 66.99 3hnj h VAL 26 Cb -0.01 1.19 -0.05 0.00 -1.52 0.00 0.00 31.29 30.90 3hnj h VAL 26 CO -0.03 0.21 0.17 0.11 0.02 0.00 0.00 177.57 178.05 3hnj h LYS 27 N 0.20 0.33 -0.38 1.57 1.57 -0.59 -1.27 116.57 117.99 3hnj h LYS 27 Ca 0.07 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.79 3hnj h LYS 27 Cb 0.26 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 3hnj h LYS 27 CO -0.00 0.22 0.05 0.22 -0.57 0.00 0.00 179.45 179.37 3hnj h ASP 28 N 0.34 0.62 -0.76 0.86 -0.00 -1.13 -1.76 116.42 114.59 3hnj h ASP 28 Ca 0.21 -0.27 -0.05 0.00 -0.00 0.00 0.00 57.03 56.92 3hnj h ASP 28 Cb 0.20 -0.17 -0.03 0.00 -0.00 0.00 0.00 39.33 39.33 3hnj h ASP 28 CO -0.21 0.73 0.27 0.00 -0.00 0.00 0.00 179.24 180.04 3hnj h ALA 29 N 0.91 1.00 -0.38 -0.78 0.00 -1.18 -1.40 119.26 117.43 3hnj h ALA 29 Ca 0.12 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 3hnj h ALA 29 Cb 0.38 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3hnj h ALA 29 CO 0.01 0.65 0.04 -0.07 0.00 0.00 0.00 179.25 179.88 3hnj h LEU 30 N 1.12 0.63 -0.61 0.00 3.38 -1.12 -0.51 115.31 118.20 3hnj h LEU 30 Ca 0.25 -0.28 0.09 0.00 0.09 0.00 0.00 57.88 58.03 3hnj h LEU 30 Cb 0.27 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 40.78 3hnj h LEU 30 CO -0.01 0.75 0.25 0.74 0.09 0.00 0.00 178.44 180.25 3hnj h THR 31 N 0.48 0.81 -0.67 0.22 2.02 -1.19 0.17 112.91 114.75 3hnj h THR 31 Ca 0.11 -0.15 -0.08 0.00 0.77 0.00 0.00 66.41 67.06 3hnj h THR 31 Cb 0.40 0.32 -0.03 0.00 -1.74 0.00 0.00 68.15 67.11 3hnj h THR 31 CO 0.01 0.08 0.12 0.11 0.37 0.00 0.00 175.52 176.22 3hnj h LYS 32 N 0.45 1.10 -0.64 6.66 1.57 -1.07 -1.86 116.57 122.78 3hnj h LYS 32 Ca 0.30 -0.28 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 3hnj h LYS 32 Cb 0.34 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 3hnj h LYS 32 CO -0.28 0.99 0.20 0.52 -0.57 0.00 0.00 179.45 180.32 3hnj h MET 33 N 1.03 0.99 -0.52 3.15 2.86 -0.46 -2.18 114.93 119.81 3hnj h MET 33 Ca 0.21 -0.21 0.02 0.00 -2.06 0.00 0.00 59.70 57.66 3hnj h MET 33 Cb 0.42 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.90 3hnj h MET 33 CO 0.01 0.87 0.31 0.00 1.06 0.00 0.00 176.91 179.16 3hnj h ALA 34 N 1.08 0.66 -0.51 6.32 0.00 -0.43 -0.65 119.26 125.73 3hnj h ALA 34 Ca 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3hnj h ALA 34 Cb 0.29 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3hnj h ALA 34 CO -0.01 0.01 0.32 0.00 0.00 0.00 0.00 179.25 179.58 3hnj h ALA 35 N 1.23 0.65 -0.50 0.00 0.00 -1.20 -2.01 119.26 117.43 3hnj h ALA 35 Ca 0.21 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 3hnj h ALA 35 Cb 0.02 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3hnj h ALA 35 CO -0.10 0.12 -0.16 0.00 0.00 0.00 0.00 179.25 179.11 3hnj h ALA 36 N 1.17 0.77 -0.35 0.00 0.00 -1.08 -0.25 119.26 119.51 3hnj h ALA 36 Ca 0.19 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3hnj h ALA 36 Cb -0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3hnj h ALA 36 CO -0.04 0.66 0.16 0.00 0.00 0.00 0.00 179.25 180.04 3hnj h ALA 37 N 0.95 0.46 -0.59 0.00 0.00 -1.06 -1.20 119.26 117.82 3hnj h ALA 37 Ca 0.12 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 3hnj h ALA 37 Cb 0.72 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3hnj h ALA 37 CO 0.06 0.03 0.02 0.00 0.00 0.00 0.00 179.25 179.36 3hnj h ALA 38 N 1.01 0.92 0.00 0.00 0.00 -1.22 -2.44 119.26 117.53 3hnj h ALA 38 Ca 0.12 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 3hnj h ALA 38 Cb 0.15 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3hnj h ALA 38 CO -0.01 0.65 -0.20 0.22 0.00 0.00 0.00 179.25 179.91 3hnj h ASP 39 N 0.94 0.00 0.75 0.00 3.58 -0.88 -2.78 116.42 118.02 3hnj h ASP 39 Ca 0.17 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.62 3hnj h ASP 39 Cb 0.51 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.56 3hnj h ASP 39 CO 0.02 0.20 -0.19 0.00 -2.88 0.00 0.00 179.24 176.39 3hnj n ALA 40 N -2.32 2.82 -0.25 -0.78 0.00 -0.47 -4.51 120.51 114.99 3hnj n ALA 40 Ca -0.01 -0.21 -0.03 0.00 0.00 0.00 0.00 53.44 53.19 3hnj n ALA 40 Cb 0.31 -1.33 0.04 0.00 0.00 0.00 0.00 19.45 18.47 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 0.06 -0.81 -0.55 0.00 2.91 -1.28 -1.24 115.95 115.03 3hnj h TRP 41 Ca 0.00 0.08 -0.04 0.00 1.13 0.00 0.00 58.89 60.06 3hnj h TRP 41 Cb 0.48 0.46 -0.02 0.00 -0.51 0.00 0.00 29.16 29.57 3hnj h TRP 41 CO 0.00 -0.37 0.05 0.43 -1.03 0.00 0.00 178.44 177.52 3hnj n SER 42 N -5.46 5.12 -4.78 2.65 7.64 -1.26 -4.84 113.62 112.69 3hnj n SER 42 Ca 0.07 -2.89 -0.37 0.00 1.01 0.00 0.00 58.87 56.69 3hnj n SER 42 Cb 0.37 -0.68 -0.03 0.00 -1.01 0.00 0.00 64.21 62.87 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 -2.62 3.04 -0.33 -0.43 0.00 -0.47 -5.03 121.76 115.92 3hnj s ALA 43 Ca 0.49 0.81 -0.09 0.00 0.00 0.00 0.00 51.96 53.16 3hnj s ALA 43 Cb 0.38 -3.32 0.01 0.00 0.00 0.00 0.00 23.12 20.19 3hnj s ALA 43 CO 0.14 -0.41 0.16 0.99 0.00 0.00 0.00 175.76 176.64 3hnj s THR 44 N -1.61 4.45 0.47 0.00 2.01 -1.26 -5.04 115.64 114.66 3hnj s THR 44 Ca 0.60 -0.67 -0.22 0.00 0.31 0.00 0.00 61.69 61.71 3hnj s THR 44 Cb -0.25 -3.37 -0.07 0.00 0.01 0.00 0.00 72.50 68.82 3hnj s THR 44 CO 0.31 -0.06 1.16 -2.16 -0.69 0.00 0.00 174.62 173.17 3hnj s PRO 45 N 1.56 3.70 0.30 4.92 0.04 -1.26 -4.87 135.00 139.39 3hnj s PRO 45 Ca 0.03 1.74 0.05 0.00 0.04 0.00 0.00 61.00 62.86 3hnj s PRO 45 Cb -0.18 -2.34 0.80 0.00 0.04 0.00 0.00 34.50 32.82 3hnj s PRO 45 CO 0.06 -0.59 1.66 -1.35 0.04 0.00 0.00 177.00 176.82 3hnj h PRO 46 N 1.91 0.27 0.00 0.56 0.11 -1.99 0.04 132.00 132.90 3hnj h PRO 46 Ca -0.49 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 3hnj h PRO 46 Cb 1.25 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 3hnj h PRO 46 CO 0.60 0.18 -0.01 0.87 -0.21 0.00 0.00 178.00 179.43 3hnj h LYS 47 N 0.28 0.00 -0.06 1.05 6.56 -1.93 -2.87 116.57 119.60 3hnj h LYS 47 Ca 0.60 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.19 3hnj h LYS 47 Cb 1.23 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.89 3hnj h LYS 47 CO -0.62 0.01 0.00 1.28 -2.06 0.00 0.00 179.45 178.06 3hnj n LEU 48 N -3.19 2.55 0.21 2.94 4.77 -0.03 -4.74 117.00 119.51 3hnj n LEU 48 Ca -0.02 -2.77 0.06 0.00 -0.03 0.00 0.00 56.01 53.25 3hnj n LEU 48 Cb 0.13 -0.34 0.55 0.00 -2.33 0.00 0.00 43.42 41.43 3hnj n LEU 48 CO 0.23 0.66 1.00 -0.33 -1.33 0.00 0.00 177.39 177.62 3hnj h GLU 49 N 0.40 0.06 0.00 3.23 5.08 -1.23 -1.99 114.58 120.14 3hnj h GLU 49 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3hnj h GLU 49 Cb 0.94 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.18 3hnj h GLU 49 CO 0.03 0.12 -0.27 0.38 -1.00 0.00 0.00 179.01 178.28 3hnj h ASP 50 N 0.06 0.00 -4.14 1.42 2.03 -1.85 -3.47 116.42 110.48 3hnj h ASP 50 Ca 0.02 -0.07 -0.46 0.00 -0.73 0.00 0.00 57.03 55.79 3hnj h ASP 50 Cb 0.14 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.64 3hnj h ASP 50 CO 0.01 0.03 0.36 -0.54 -1.03 0.00 0.00 179.24 178.07 3hnj s LYS 51 N -3.16 4.05 0.37 4.15 -0.14 -0.75 -5.03 119.74 119.24 3hnj s LYS 51 Ca 0.08 1.03 -0.28 0.00 -1.36 0.00 0.00 55.97 55.44 3hnj s LYS 51 Cb 0.11 -2.15 -0.11 0.00 -1.68 0.00 0.00 37.83 34.00 3hnj s LYS 51 CO 0.66 -0.18 1.49 0.45 -0.76 0.00 0.00 175.35 177.01 3hnj s SER 52 N -2.70 6.35 0.61 2.83 0.15 -1.26 -4.90 113.70 114.77 3hnj s SER 52 Ca 0.60 3.05 0.33 0.00 0.70 0.00 0.00 55.95 60.63 3hnj s SER 52 Cb -0.10 -2.67 1.94 0.00 -1.71 0.00 0.00 66.02 63.49 3hnj s SER 52 CO 0.24 -0.87 2.25 -0.65 1.20 0.00 0.00 173.24 175.41 3hnj h PRO 53 N 3.03 0.00 -0.21 5.44 0.11 -1.95 -1.18 132.00 137.23 3hnj h PRO 53 Ca -0.51 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.49 3hnj h PRO 53 Cb 1.24 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.28 3hnj h PRO 53 CO 0.64 0.00 -0.24 -0.25 -0.21 0.00 0.00 178.00 177.94 3hnj n ASP 54 N -3.62 2.19 -4.78 -2.05 10.43 -1.26 -4.65 116.55 112.81 3hnj n ASP 54 Ca -0.02 -3.81 -0.32 0.00 2.57 0.00 0.00 54.79 53.21 3hnj n ASP 54 Cb 0.13 -0.59 0.07 0.00 1.84 0.00 0.00 41.12 42.57 3hnj n ASP 54 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 3hnj s SER 55 N -2.80 4.86 0.40 -2.24 1.04 -0.45 -4.87 113.70 109.63 3hnj s SER 55 Ca 0.42 1.85 0.13 0.00 0.48 0.00 0.00 55.95 58.83 3hnj s SER 55 Cb 0.39 -2.53 0.96 0.00 0.10 0.00 0.00 66.02 64.94 3hnj s SER 55 CO -0.03 -1.80 1.90 -0.65 0.98 0.00 0.00 173.24 173.65 3hnj h PRO 56 N -0.66 0.51 -0.28 4.02 0.11 -1.96 -1.63 132.00 132.11 3hnj h PRO 56 Ca -0.45 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.60 3hnj h PRO 56 Cb 1.23 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3hnj h PRO 56 CO 0.53 0.34 0.03 0.93 -0.21 0.00 0.00 178.00 179.61 3hnj h GLU 57 N 0.52 0.47 -0.20 1.05 3.07 -1.92 -0.97 114.58 116.61 3hnj h GLU 57 Ca 0.40 -0.14 -0.13 0.00 -0.50 0.00 0.00 59.36 58.98 3hnj h GLU 57 Cb 0.78 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.63 3hnj h GLU 57 CO -0.15 0.61 -0.44 0.52 -1.40 0.00 0.00 179.01 178.15 3hnj h MET 58 N 0.28 0.49 -0.47 2.33 2.86 -1.73 0.16 114.93 118.85 3hnj h MET 58 Ca 0.08 -0.26 -0.01 0.00 -2.06 0.00 0.00 59.70 57.45 3hnj h MET 58 Cb 0.37 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 3hnj h MET 58 CO 0.01 0.84 0.26 0.45 1.06 0.00 0.00 176.91 179.53 3hnj h HIS 59 N 0.40 0.64 -0.34 -0.22 3.86 -1.26 -0.54 115.15 117.69 3hnj h HIS 59 Ca 0.03 -0.01 -0.10 0.00 -1.16 0.00 0.00 60.37 59.12 3hnj h HIS 59 Cb 0.93 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 29.18 3hnj h HIS 59 CO 0.03 0.48 -0.21 0.22 0.86 0.00 0.00 177.93 179.31 3hnj h ASP 60 N 0.62 0.66 -0.12 2.45 3.58 -0.95 -0.69 116.42 121.98 3hnj h ASP 60 Ca 0.17 -0.22 -0.00 0.00 0.42 0.00 0.00 57.03 57.39 3hnj h ASP 60 Cb 0.04 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 40.91 3hnj h ASP 60 CO -0.03 0.87 0.07 0.15 -2.88 0.00 0.00 179.24 177.42 3hnj h PHE 61 N 0.58 0.16 -0.70 0.28 3.57 -0.42 -2.69 116.94 117.73 3hnj h PHE 61 Ca 0.09 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.54 3hnj h PHE 61 Cb 0.68 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.33 3hnj h PHE 61 CO 0.03 0.14 0.24 0.00 -2.23 0.00 0.00 178.31 176.49 3hnj h ARG 62 N 0.13 1.05 -0.99 1.11 3.08 -0.93 -2.73 114.38 115.10 3hnj h ARG 62 Ca 0.04 -0.20 0.09 0.00 0.07 0.00 0.00 59.98 59.98 3hnj h ARG 62 Cb 0.02 -0.17 -0.07 0.00 0.08 0.00 0.00 29.97 29.83 3hnj h ARG 62 CO -0.01 0.88 0.63 1.25 -1.07 0.00 0.00 179.97 181.65 3hnj h HIS 63 N 1.02 1.15 -0.96 3.04 2.76 -0.91 -1.33 115.15 119.93 3hnj h HIS 63 Ca 0.23 0.03 0.10 0.00 -2.20 0.00 0.00 60.37 58.53 3hnj h HIS 63 Cb 0.25 -0.37 -0.08 0.00 1.55 0.00 0.00 27.41 28.76 3hnj h HIS 63 CO 0.02 0.53 0.60 0.78 -1.30 0.00 0.00 177.93 178.56 3hnj h GLY 64 N 1.08 1.53 1.35 5.26 0.00 -1.15 -1.29 103.07 109.83 3hnj h GLY 64 Ca 0.46 -0.41 -0.11 0.00 0.00 0.00 0.00 47.33 47.27 3hnj h GLY 64 CO -0.22 0.19 -0.19 0.74 0.00 0.00 0.00 176.54 177.06 3hnj h PHE 65 N 0.99 0.85 -0.52 5.60 0.05 -1.27 -1.66 116.94 120.98 3hnj h PHE 65 Ca 0.46 -0.18 0.07 0.00 3.82 0.00 0.00 57.97 62.14 3hnj h PHE 65 Cb 0.38 -0.21 -0.06 0.00 2.00 0.00 0.00 35.95 38.06 3hnj h PHE 65 CO -0.02 0.89 0.18 -1.49 -0.18 0.00 0.00 178.31 177.70 3hnj h TRP 66 N 0.67 0.32 -0.28 -0.55 6.55 -0.73 0.67 115.95 122.60 3hnj h TRP 66 Ca 0.10 0.03 -0.01 0.00 0.95 0.00 0.00 58.89 59.95 3hnj h TRP 66 Cb 0.69 -0.07 -0.01 0.00 -0.86 0.00 0.00 29.16 28.91 3hnj h TRP 66 CO 0.03 0.10 0.13 -0.07 -1.05 0.00 0.00 178.44 177.58 3hnj h LEU 67 N 0.36 0.38 -0.29 -4.49 3.38 -1.08 -0.32 115.31 113.25 3hnj h LEU 67 Ca 0.25 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 3hnj h LEU 67 Cb 0.28 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3hnj h LEU 67 CO -0.26 0.41 0.16 0.25 0.09 0.00 0.00 178.44 179.10 3hnj h LEU 68 N 0.32 0.35 -0.59 1.67 5.85 -0.99 -1.87 115.31 120.05 3hnj h LEU 68 Ca 0.10 -0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.78 3hnj h LEU 68 Cb 0.14 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 3hnj h LEU 68 CO -0.01 0.32 0.35 0.40 -0.34 0.00 0.00 178.44 179.16 3hnj h ILE 69 N 0.36 1.05 -0.83 4.05 2.04 -0.67 -1.64 117.51 121.86 3hnj h ILE 69 Ca 0.10 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 3hnj h ILE 69 Cb 0.04 0.30 -0.04 0.00 -0.74 0.00 0.00 36.82 36.38 3hnj h ILE 69 CO -0.02 0.13 0.47 1.23 0.00 0.00 0.00 178.15 179.96 3hnj h GLY 70 N 0.69 1.23 1.01 5.37 0.00 -0.93 -1.38 103.07 109.04 3hnj h GLY 70 Ca 0.24 -0.54 -0.09 0.00 0.00 0.00 0.00 47.33 46.95 3hnj h GLY 70 CO -0.11 0.52 -0.04 0.00 0.00 0.00 0.00 176.54 176.90 3hnj h ALA 71 N 1.25 0.64 -0.50 3.60 0.00 -1.02 -2.89 119.26 120.35 3hnj h ALA 71 Ca 0.29 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3hnj h ALA 71 Cb 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3hnj h ALA 71 CO -0.05 0.48 0.24 0.82 0.00 0.00 0.00 179.25 180.73 3hnj h ILE 72 N 0.70 1.19 -0.70 0.00 2.04 -1.19 -1.98 117.51 117.58 3hnj h ILE 72 Ca 0.13 -0.55 0.11 0.00 1.00 0.00 0.00 64.86 65.55 3hnj h ILE 72 Cb 0.56 0.64 -0.12 0.00 -0.74 0.00 0.00 36.82 37.16 3hnj h ILE 72 CO 0.03 0.22 -0.37 -0.74 0.00 0.00 0.00 178.15 177.29 3hnj h HIS 73 N 0.66 -1.05 -0.32 1.37 2.76 -1.19 -0.23 115.15 117.16 3hnj h HIS 73 Ca 0.17 0.08 -0.09 0.00 -2.20 0.00 0.00 60.37 58.34 3hnj h HIS 73 Cb 0.12 0.56 -0.01 0.00 1.55 0.00 0.00 27.41 29.64 3hnj h HIS 73 CO -0.01 -0.40 -0.14 0.22 -1.30 0.00 0.00 177.93 176.31 3hnj h ASP 74 N -0.13 0.67 -0.96 3.26 1.82 -1.39 -2.79 116.42 116.90 3hnj h ASP 74 Ca 0.25 -0.40 0.12 0.00 -0.39 0.00 0.00 57.03 56.61 3hnj h ASP 74 Cb 0.56 -0.18 -0.08 0.00 0.68 0.00 0.00 39.33 40.30 3hnj h ASP 74 CO -0.77 0.92 0.59 0.00 -1.61 0.00 0.00 179.24 178.37 3hnj h ALA 75 N 0.77 1.45 -0.42 -0.78 0.00 -1.04 -1.92 119.26 117.33 3hnj h ALA 75 Ca 0.07 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 3hnj h ALA 75 Cb 0.66 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3hnj h ALA 75 CO 0.04 0.17 -0.19 1.25 0.00 0.00 0.00 179.25 180.53 3hnj h LEU 76 N 0.93 0.81 -0.52 0.00 5.85 -0.94 -1.56 115.31 119.88 3hnj h LEU 76 Ca 0.48 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 3hnj h LEU 76 Cb 0.49 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 3hnj h LEU 76 CO -0.27 0.99 0.30 0.45 -0.34 0.00 0.00 178.44 179.56 3hnj h HIS 77 N 0.71 0.69 -0.71 1.25 3.86 -1.11 0.15 115.15 119.99 3hnj h HIS 77 Ca 0.10 -0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.35 3hnj h HIS 77 Cb 0.70 -0.23 -0.05 0.00 1.06 0.00 0.00 27.41 28.89 3hnj h HIS 77 CO 0.04 0.50 0.43 -0.07 0.86 0.00 0.00 177.93 179.68 3hnj h LEU 78 N 0.69 0.68 -0.71 2.43 3.38 -1.15 -0.97 115.31 119.67 3hnj h LEU 78 Ca 0.18 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 58.04 3hnj h LEU 78 Cb 0.02 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3hnj h LEU 78 CO -0.03 0.46 -0.33 0.00 0.09 0.00 0.00 178.44 178.63 3hnj h ALA 79 N 1.33 0.89 0.00 1.53 0.00 -0.96 0.05 119.26 122.10 3hnj h ALA 79 Ca 0.30 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 3hnj h ALA 79 Cb 0.09 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3hnj h ALA 79 CO -0.14 0.63 -0.20 -0.91 0.00 0.00 0.00 179.25 178.63 3hnj h ASN 80 N 0.53 0.00 -0.06 0.00 -0.26 -0.28 -2.64 115.58 112.87 3hnj h ASN 80 Ca 0.06 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.80 3hnj h ASN 80 Cb 0.82 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.08 3hnj h ASN 80 CO 0.07 0.20 0.00 -0.62 -1.06 0.00 0.00 177.43 176.02 3hnj n GLU 81 N -4.04 1.40 -1.00 0.81 1.02 -0.41 -4.90 120.64 113.52 3hnj n GLU 81 Ca -0.02 -0.60 0.00 0.00 -0.02 0.00 0.00 57.16 56.52 3hnj n GLU 81 Cb 0.28 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 30.29 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 0.68 2.76 0.62 0.00 -0.99 -4.96 105.19 104.34 3hnj n GLY 82 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.63 3.68 -0.07 1.61 5.02 -0.02 -4.78 118.16 120.96 3hnj n LYS 83 Ca 0.00 -3.34 -0.10 0.00 -2.02 0.00 0.00 58.31 52.85 3hnj n LYS 83 Cb 0.00 -2.92 -0.03 0.00 -0.02 0.00 0.00 35.03 32.06 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 3.56 1.13 -0.37 -0.18 2.07 -1.88 -1.34 116.25 119.25 3hnj h VAL 84 Ca 0.48 -0.35 0.03 0.00 0.82 0.00 0.00 66.70 67.68 3hnj h VAL 84 Cb 0.56 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 3hnj h VAL 84 CO 1.65 0.13 0.17 0.11 0.02 0.00 0.00 177.57 179.65 3hnj h LYS 85 N 0.29 0.34 -0.51 1.57 1.79 -1.96 0.04 116.57 118.14 3hnj h LYS 85 Ca 0.09 -0.02 -0.05 0.00 -2.18 0.00 0.00 60.65 58.49 3hnj h LYS 85 Cb 0.08 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.63 3hnj h LYS 85 CO -0.01 0.23 0.11 0.93 -1.08 0.00 0.00 179.45 179.62 3hnj h GLU 86 N 0.35 0.78 -0.52 3.15 4.39 -1.91 -1.10 114.58 119.73 3hnj h GLU 86 Ca 0.16 -0.16 -0.08 0.00 0.34 0.00 0.00 59.36 59.61 3hnj h GLU 86 Cb 0.08 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.60 3hnj h GLU 86 CO -0.12 0.72 -0.00 0.00 -1.16 0.00 0.00 179.01 178.44 3hnj h ALA 87 N 1.37 0.70 -0.67 3.43 0.00 -0.75 -0.43 119.26 122.90 3hnj h ALA 87 Ca 0.16 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 3hnj h ALA 87 Cb 0.30 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3hnj h ALA 87 CO 0.00 0.51 0.24 1.96 0.00 0.00 0.00 179.25 181.97 3hnj h GLN 88 N 0.78 1.00 -0.47 0.00 4.20 -0.71 -0.74 115.11 119.18 3hnj h GLN 88 Ca 0.15 -0.18 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 3hnj h GLN 88 Cb 0.53 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.12 3hnj h GLN 88 CO 0.03 0.83 0.19 0.87 -0.67 0.00 0.00 178.83 180.08 3hnj h LYS 89 N 0.98 0.69 -0.68 1.46 1.57 -1.03 -1.60 116.57 117.97 3hnj h LYS 89 Ca 0.22 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 3hnj h LYS 89 Cb 0.23 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 3hnj h LYS 89 CO -0.01 0.62 0.30 0.00 -0.57 0.00 0.00 179.45 179.79 3hnj h ALA 90 N 1.04 1.25 -0.58 3.86 0.00 -0.82 -2.01 119.26 121.99 3hnj h ALA 90 Ca 0.16 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3hnj h ALA 90 Cb 0.19 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3hnj h ALA 90 CO -0.01 0.56 0.15 0.00 0.00 0.00 0.00 179.25 179.95 3hnj h ALA 91 N 1.36 0.77 -0.86 0.00 0.00 -0.91 -2.51 119.26 117.11 3hnj h ALA 91 Ca 0.23 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3hnj h ALA 91 Cb 0.14 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 3hnj h ALA 91 CO -0.03 0.47 0.46 0.93 0.00 0.00 0.00 179.25 181.08 3hnj h GLU 92 N 0.84 1.20 -0.05 0.00 4.39 -0.95 -3.10 114.58 116.90 3hnj h GLU 92 Ca 0.18 -0.14 -0.10 0.00 0.34 0.00 0.00 59.36 59.64 3hnj h GLU 92 Cb 0.34 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 3hnj h GLU 92 CO 0.00 0.88 -0.43 -0.07 -1.16 0.00 0.00 179.01 178.23 3hnj h LEU 93 N 1.20 0.13 0.00 1.33 3.38 -1.15 -2.76 115.31 117.44 3hnj h LEU 93 Ca 0.30 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3hnj h LEU 93 Cb 0.04 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3hnj h LEU 93 CO -0.05 0.55 0.00 0.00 0.09 0.00 0.00 178.44 179.03 3hnj n LEU 94 N -4.01 0.00 0.26 1.67 -0.00 -0.97 -2.45 117.00 111.49 3hnj n LEU 94 Ca -0.02 0.18 0.08 0.00 -0.00 0.00 0.00 56.01 56.26 3hnj n LEU 94 Cb 0.48 -0.18 0.65 0.00 -0.00 0.00 0.00 43.42 44.36 3hnj n LEU 94 CO 0.41 -0.04 1.03 0.11 -0.00 0.00 0.00 177.39 178.89 3hnj h LYS 95 N 0.00 0.00 0.00 1.47 1.57 -1.59 -1.98 116.57 116.04 3hnj h LYS 95 Ca 0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 3hnj h LYS 95 Cb 0.14 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 3hnj h LYS 95 CO 0.00 0.05 -0.31 0.00 -0.57 0.00 0.00 179.45 178.62 3hnj h ALA 96 N 1.95 1.48 -0.15 3.86 0.00 -1.71 0.13 119.26 124.82 3hnj h ALA 96 Ca -0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 3hnj h ALA 96 Cb 0.10 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3hnj h ALA 96 CO 0.01 0.39 -0.00 0.82 0.00 0.00 0.00 179.25 180.46 3hnj h ILE 97 N 0.00 1.25 -0.23 0.00 2.04 -1.57 0.08 117.51 119.08 3hnj h ILE 97 Ca -0.00 -0.84 0.06 0.00 1.00 0.00 0.00 64.86 65.07 3hnj h ILE 97 Cb 0.55 1.52 -0.06 0.00 -0.74 0.00 0.00 36.82 38.09 3hnj h ILE 97 CO 0.04 0.25 -0.14 0.00 0.00 0.00 0.00 178.15 178.30 3hnj h ASN 99 N -0.12 0.96 -0.53 0.00 -0.26 -0.90 -1.51 115.58 113.22 3hnj h ASN 99 Ca 0.13 -0.24 -0.02 0.00 -0.56 0.00 0.00 56.30 55.61 3hnj h ASN 99 Cb 0.32 -0.25 -0.02 0.00 -1.06 0.00 0.00 38.32 37.30 3hnj h ASN 99 CO -0.31 0.96 0.26 0.00 -1.06 0.00 0.00 177.43 177.28 3hnj h ALA 100 N 1.04 0.69 -0.23 -0.83 0.00 -0.86 -0.79 119.26 118.27 3hnj h ALA 100 Ca 0.19 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3hnj h ALA 100 Cb 0.39 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3hnj h ALA 100 CO 0.01 0.25 -0.01 0.00 0.00 0.00 0.00 179.25 179.49 3hnj h HIS 102 N 0.18 1.01 -0.78 0.00 -0.00 -1.06 0.56 115.15 115.06 3hnj h HIS 102 Ca 0.06 0.03 0.06 0.00 -0.00 0.00 0.00 60.37 60.53 3hnj h HIS 102 Cb 0.43 -0.33 -0.06 0.00 -0.00 0.00 0.00 27.41 27.45 3hnj h HIS 102 CO 0.04 0.55 0.46 1.96 -0.00 0.00 0.00 177.93 180.94 3hnj h GLN 103 N 1.03 0.81 0.22 2.45 7.50 -1.19 -1.39 115.11 124.54 3hnj h GLN 103 Ca 0.35 -0.05 -0.34 0.00 0.50 0.00 0.00 58.65 59.11 3hnj h GLN 103 Cb 0.08 -0.18 0.02 0.00 0.05 0.00 0.00 27.48 27.45 3hnj h GLN 103 CO -0.14 0.54 -1.61 0.87 -1.50 0.00 0.00 178.83 176.99 3hnj h LYS 104 N 0.84 0.46 0.00 1.46 1.57 -1.46 -3.43 116.57 116.01 3hnj h LYS 104 Ca 0.35 -0.78 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 3hnj h LYS 104 Cb 0.20 0.29 0.00 0.00 0.08 0.00 0.00 32.23 32.80 3hnj h LYS 104 CO -0.18 1.37 -0.18 0.66 -0.57 0.00 0.00 179.45 180.55 3hnj n TYR 105 N -3.64 0.00 1.52 -1.35 0.53 0.15 -5.11 117.16 109.25 3hnj n TYR 105 Ca -0.20 0.00 0.14 0.00 -1.02 0.00 0.00 57.90 56.82 3hnj n TYR 105 Cb 1.09 0.00 0.54 0.00 -1.03 0.00 0.00 39.34 39.94 3hnj n TYR 105 CO 0.00 0.00 0.00 -2.13 -1.02 0.00 0.00 176.86 173.71