#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hnl s ASP 2 N 0.00 2.79 0.25 0.00 -1.08 -1.26 -4.90 116.67 112.48 3hnl s ASP 2 Ca 0.00 1.74 0.03 0.00 -0.52 0.00 0.00 52.55 53.80 3hnl s ASP 2 Cb 0.00 -2.36 0.32 0.00 -1.46 0.00 0.00 42.92 39.42 3hnl s ASP 2 CO 0.00 -3.10 1.63 0.25 0.52 0.00 0.00 175.17 174.47 3hnl h LEU 3 N -1.87 0.39 0.57 -1.34 6.46 -1.97 -2.76 115.31 114.79 3hnl h LEU 3 Ca -0.50 -0.18 -0.03 0.00 -0.12 0.00 0.00 57.88 57.05 3hnl h LEU 3 Cb 1.29 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 41.11 3hnl h LEU 3 CO 0.49 0.79 -0.29 -0.33 -0.62 0.00 0.00 178.44 178.48 3hnl h GLU 4 N 0.30 -0.76 -0.51 1.25 3.07 -1.99 -2.37 114.58 113.57 3hnl h GLU 4 Ca 0.02 0.05 0.08 0.00 -0.50 0.00 0.00 59.36 59.01 3hnl h GLU 4 Cb 0.91 0.17 -0.07 0.00 -0.84 0.00 0.00 28.75 28.92 3hnl h GLU 4 CO 0.08 -0.51 0.14 -0.44 -1.40 0.00 0.00 179.01 176.89 3hnl h ASP 5 N -0.79 0.09 -0.96 1.42 5.19 -1.94 -1.27 116.42 118.16 3hnl h ASP 5 Ca -0.08 0.08 0.04 0.00 -0.62 0.00 0.00 57.03 56.45 3hnl h ASP 5 Cb 0.61 0.09 -0.06 0.00 0.18 0.00 0.00 39.33 40.15 3hnl h ASP 5 CO 0.12 0.08 0.63 0.78 -3.12 0.00 0.00 179.24 177.72 3hnl h ASN 6 N 0.30 1.03 0.09 6.45 2.35 -1.47 -1.05 115.58 123.28 3hnl h ASN 6 Ca 0.25 -0.01 -0.15 0.00 -0.55 0.00 0.00 56.30 55.85 3hnl h ASN 6 Cb 0.31 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 3hnl h ASN 6 CO -0.29 0.70 -0.51 0.24 -1.65 0.00 0.00 177.43 175.91 3hnl h MET 7 N 1.19 0.47 -0.16 0.81 2.86 -0.82 -2.08 114.93 117.21 3hnl h MET 7 Ca 0.39 -0.28 -0.03 0.00 -2.06 0.00 0.00 59.70 57.72 3hnl h MET 7 Cb 0.04 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 3hnl h MET 7 CO -0.13 0.87 -0.01 0.93 1.06 0.00 0.00 176.91 179.64 3hnl h GLU 8 N 0.37 0.28 -0.46 1.72 4.39 -0.78 -0.98 114.58 119.12 3hnl h GLU 8 Ca 0.01 -0.09 0.09 0.00 0.34 0.00 0.00 59.36 59.71 3hnl h GLU 8 Cb 1.02 -0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 29.57 3hnl h GLU 8 CO 0.09 0.52 -0.06 1.15 -1.16 0.00 0.00 179.01 179.55 3hnl h THR 9 N 0.02 0.58 -0.07 1.13 2.02 -1.18 0.46 112.91 115.87 3hnl h THR 9 Ca 0.04 -0.02 0.01 0.00 0.77 0.00 0.00 66.41 67.21 3hnl h THR 9 Cb 0.39 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 3hnl h THR 9 CO 0.01 0.01 0.01 -0.07 0.37 0.00 0.00 175.52 175.85 3hnl h LEU 10 N 0.05 0.01 0.10 2.58 4.07 -1.32 -1.63 115.31 119.17 3hnl h LEU 10 Ca 0.23 0.01 -0.01 0.00 0.08 0.00 0.00 57.88 58.19 3hnl h LEU 10 Cb 0.35 0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.10 3hnl h LEU 10 CO -0.43 0.02 -0.05 -1.13 -1.08 0.00 0.00 178.44 175.76 3hnl h ASN 11 N 0.05 -0.12 -0.86 -0.43 -1.24 -0.68 -2.51 115.58 109.78 3hnl h ASN 11 Ca 0.03 -0.15 -0.00 0.00 0.71 0.00 0.00 56.30 56.89 3hnl h ASN 11 Cb 0.02 0.03 -0.04 0.00 0.73 0.00 0.00 38.32 39.06 3hnl h ASN 11 CO -0.04 0.08 0.53 0.44 -1.29 0.00 0.00 177.43 177.15 3hnl h ASP 12 N -0.32 1.02 1.19 1.15 3.32 -0.06 -2.57 116.42 120.15 3hnl h ASP 12 Ca -0.01 -0.06 -0.07 0.00 0.02 0.00 0.00 57.03 56.90 3hnl h ASP 12 Cb 0.26 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3hnl h ASP 12 CO 0.02 0.78 -0.36 0.78 -1.72 0.00 0.00 179.24 178.74 3hnl h ASN 13 N 1.18 0.00 -0.69 6.45 4.21 -1.32 -1.04 115.58 124.37 3hnl h ASN 13 Ca 0.31 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 57.79 3hnl h ASN 13 Cb -0.07 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.10 3hnl h ASN 13 CO -0.06 0.36 0.30 0.25 -1.29 0.00 0.00 177.43 176.99 3hnl h LEU 14 N 0.00 0.95 -0.22 1.61 5.85 -1.07 -1.37 115.31 121.07 3hnl h LEU 14 Ca -0.00 -0.13 -0.21 0.00 0.84 0.00 0.00 57.88 58.38 3hnl h LEU 14 Cb 1.05 -0.25 0.01 0.00 0.37 0.00 0.00 40.66 41.84 3hnl h LEU 14 CO 0.05 0.83 -0.69 0.11 -0.34 0.00 0.00 178.44 178.40 3hnl h LYS 15 N 1.03 0.83 -0.49 1.25 1.79 -1.07 -2.45 116.57 117.46 3hnl h LYS 15 Ca 0.24 -0.61 0.07 0.00 -2.18 0.00 0.00 60.65 58.17 3hnl h LYS 15 Cb 0.17 0.11 -0.06 0.00 -1.58 0.00 0.00 32.23 30.86 3hnl h LYS 15 CO -0.02 1.23 0.15 0.28 -1.08 0.00 0.00 179.45 180.01 3hnl h VAL 16 N 0.60 0.80 0.06 0.50 2.07 -1.12 -2.19 116.25 116.96 3hnl h VAL 16 Ca -0.03 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 3hnl h VAL 16 Cb 1.31 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 31.54 3hnl h VAL 16 CO 0.15 0.06 -0.03 0.40 0.02 0.00 0.00 177.57 178.16 3hnl h ILE 17 N 0.31 0.94 -1.00 4.57 2.04 -1.18 -1.41 117.51 121.77 3hnl h ILE 17 Ca 0.24 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.27 3hnl h ILE 17 Cb 0.28 0.94 -0.10 0.00 -0.74 0.00 0.00 36.82 37.20 3hnl h ILE 17 CO -0.27 0.00 0.62 -0.08 0.00 0.00 0.00 178.15 178.42 3hnl h GLU 18 N -0.08 0.79 -0.00 2.37 4.81 -1.28 -2.16 114.58 119.03 3hnl h GLU 18 Ca -0.01 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3hnl h GLU 18 Cb 0.06 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.26 3hnl h GLU 18 CO 0.01 0.53 -0.34 1.63 -0.73 0.00 0.00 179.01 180.11 3hnl n LYS 19 N -4.71 0.29 -1.89 1.92 5.02 -0.84 -4.97 118.16 112.98 3hnl n LYS 19 Ca 0.22 -0.15 -0.39 0.00 -2.02 0.00 0.00 58.31 55.97 3hnl n LYS 19 Cb 0.51 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 34.05 3hnl n LYS 19 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hnl s ALA 20 N -2.81 3.00 -0.19 7.82 0.00 -0.57 -4.96 121.76 124.05 3hnl s ALA 20 Ca 0.17 1.29 0.02 0.00 0.00 0.00 0.00 51.96 53.44 3hnl s ALA 20 Cb 0.18 -3.53 0.02 0.00 0.00 0.00 0.00 23.12 19.79 3hnl s ALA 20 CO 0.61 -1.15 0.62 -0.25 0.00 0.00 0.00 175.76 175.59 3hnl n ASP 21 N -0.60 1.29 -3.97 0.00 10.43 -1.26 -5.06 116.55 117.37 3hnl n ASP 21 Ca 0.08 -1.21 -0.08 0.00 2.57 0.00 0.00 54.79 56.15 3hnl n ASP 21 Cb 0.44 -0.01 -0.08 0.00 1.84 0.00 0.00 41.12 43.32 3hnl n ASP 21 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3hnl s ASN 22 N -0.27 0.26 0.25 -2.24 2.20 -1.26 -5.07 114.94 108.82 3hnl s ASN 22 Ca 0.02 -0.84 -0.03 0.00 -0.94 0.00 0.00 52.86 51.07 3hnl s ASN 22 Cb 0.01 0.29 0.30 0.00 -2.00 0.00 0.00 41.25 39.86 3hnl s ASN 22 CO 0.02 -0.70 1.75 0.00 -2.94 0.00 0.00 177.10 175.24 3hnl h ALA 23 N 2.89 1.08 -0.68 3.54 0.00 -1.97 -3.14 119.26 120.99 3hnl h ALA 23 Ca -0.34 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.28 3hnl h ALA 23 Cb 1.18 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 3hnl h ALA 23 CO 0.59 0.59 0.31 0.00 0.00 0.00 0.00 179.25 180.74 3hnl h ALA 24 N 1.23 0.87 -0.94 0.00 0.00 -1.97 -0.24 119.26 118.22 3hnl h ALA 24 Ca 0.16 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.98 3hnl h ALA 24 Cb 0.44 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 3hnl h ALA 24 CO 0.02 0.45 0.60 1.96 0.00 0.00 0.00 179.25 182.27 3hnl h GLN 25 N 0.94 1.06 -0.21 0.00 1.08 -1.98 -1.28 115.11 114.73 3hnl h GLN 25 Ca 0.23 -0.06 -0.11 0.00 -1.45 0.00 0.00 58.65 57.26 3hnl h GLN 25 Cb 0.14 -0.24 -0.00 0.00 -0.05 0.00 0.00 27.48 27.33 3hnl h GLN 25 CO -0.03 0.70 -0.30 0.28 -0.95 0.00 0.00 178.83 178.54 3hnl h VAL 26 N 1.10 1.33 0.41 -0.54 2.07 -1.34 -2.54 116.25 116.74 3hnl h VAL 26 Ca 0.40 -1.51 -0.01 0.00 0.82 0.00 0.00 66.70 66.40 3hnl h VAL 26 Cb 0.14 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 3hnl h VAL 26 CO -0.16 0.46 -0.28 0.11 0.02 0.00 0.00 177.57 177.72 3hnl h LYS 27 N 0.25 -0.65 -0.60 1.57 1.57 -0.83 -1.68 116.57 116.20 3hnl h LYS 27 Ca 0.02 0.04 0.09 0.00 -1.87 0.00 0.00 60.65 58.94 3hnl h LYS 27 Cb 0.88 0.15 -0.07 0.00 0.08 0.00 0.00 32.23 33.26 3hnl h LYS 27 CO 0.07 -0.43 0.21 0.22 -0.57 0.00 0.00 179.45 178.95 3hnl h ASP 28 N -0.67 0.20 -0.54 0.86 1.82 -1.30 -1.65 116.42 115.14 3hnl h ASP 28 Ca -0.04 0.08 -0.09 0.00 -0.39 0.00 0.00 57.03 56.59 3hnl h ASP 28 Cb 0.57 0.07 -0.02 0.00 0.68 0.00 0.00 39.33 40.63 3hnl h ASP 28 CO 0.02 0.12 0.00 0.00 -1.61 0.00 0.00 179.24 177.77 3hnl h ALA 29 N 1.42 0.92 -0.63 -0.78 0.00 -1.29 -2.39 119.26 116.51 3hnl h ALA 29 Ca 0.30 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 3hnl h ALA 29 Cb 0.38 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3hnl h ALA 29 CO -0.31 0.64 0.13 -0.07 0.00 0.00 0.00 179.25 179.64 3hnl h LEU 30 N 0.91 0.97 -0.83 0.00 3.38 -0.82 -1.76 115.31 117.16 3hnl h LEU 30 Ca 0.17 -0.25 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 3hnl h LEU 30 Cb 0.53 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3hnl h LEU 30 CO 0.03 0.97 -0.12 0.71 0.09 0.00 0.00 178.44 180.12 3hnl h THR 31 N 0.94 1.26 -0.37 0.22 1.35 -1.16 -1.12 112.91 114.02 3hnl h THR 31 Ca 0.19 -1.16 -0.06 0.00 -0.55 0.00 0.00 66.41 64.83 3hnl h THR 31 Cb 0.39 1.06 -0.02 0.00 -1.73 0.00 0.00 68.15 67.85 3hnl h THR 31 CO 0.01 0.40 -0.02 0.11 -0.25 0.00 0.00 175.52 175.76 3hnl h LYS 32 N 0.68 0.59 -0.21 4.72 1.57 -1.27 -1.46 116.57 121.19 3hnl h LYS 32 Ca 0.12 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 3hnl h LYS 32 Cb 0.59 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 3hnl h LYS 32 CO 0.04 0.63 0.02 0.52 -0.57 0.00 0.00 179.45 180.09 3hnl h MET 33 N 0.56 0.35 -0.69 3.15 2.86 -0.82 -2.57 114.93 117.78 3hnl h MET 33 Ca 0.11 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 3hnl h MET 33 Cb 0.38 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.97 3hnl h MET 33 CO 0.02 0.52 0.44 0.00 1.06 0.00 0.00 176.91 178.94 3hnl h ALA 34 N 0.82 0.87 -0.76 6.32 0.00 -1.01 -1.49 119.26 124.02 3hnl h ALA 34 Ca 0.06 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3hnl h ALA 34 Cb 0.34 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3hnl h ALA 34 CO 0.01 0.32 0.50 0.00 0.00 0.00 0.00 179.25 180.07 3hnl h ALA 35 N 1.24 1.48 -0.21 0.00 0.00 -1.26 -0.85 119.26 119.67 3hnl h ALA 35 Ca 0.25 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.96 3hnl h ALA 35 Cb -0.08 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.42 3hnl h ALA 35 CO -0.05 0.47 -0.47 0.00 0.00 0.00 0.00 179.25 179.20 3hnl h ALA 36 N 1.54 0.34 -0.45 0.00 0.00 -0.98 -2.00 119.26 117.70 3hnl h ALA 36 Ca 0.28 -0.48 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 3hnl h ALA 36 Cb -0.08 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3hnl h ALA 36 CO -0.07 0.49 0.14 0.00 0.00 0.00 0.00 179.25 179.82 3hnl h ALA 37 N 0.60 0.60 -0.95 0.00 0.00 -1.08 0.37 119.26 118.80 3hnl h ALA 37 Ca 0.00 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.74 3hnl h ALA 37 Cb 1.08 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 3hnl h ALA 37 CO 0.10 0.24 0.63 0.00 0.00 0.00 0.00 179.25 180.22 3hnl h ALA 38 N 1.00 1.20 -0.08 0.00 0.00 -1.14 -2.19 119.26 118.06 3hnl h ALA 38 Ca 0.15 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.83 3hnl h ALA 38 Cb 0.26 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3hnl h ALA 38 CO -0.01 0.60 -0.65 0.22 0.00 0.00 0.00 179.25 179.41 3hnl h ASP 39 N 1.28 0.35 0.76 0.00 -0.00 -1.07 -2.85 116.42 114.89 3hnl h ASP 39 Ca 0.35 -0.21 0.00 0.00 -0.00 0.00 0.00 57.03 57.16 3hnl h ASP 39 Cb -0.15 -0.10 0.00 0.00 -0.00 0.00 0.00 39.33 39.08 3hnl h ASP 39 CO -0.07 0.90 0.00 0.00 -0.00 0.00 0.00 179.24 180.07 3hnl n ALA 40 N -2.48 1.71 -0.32 -0.78 0.00 0.09 -3.80 120.51 114.93 3hnl n ALA 40 Ca -0.03 0.06 0.03 0.00 0.00 0.00 0.00 53.44 53.49 3hnl n ALA 40 Cb 0.65 -1.38 0.17 0.00 0.00 0.00 0.00 19.45 18.90 3hnl n ALA 40 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 3hnl h TRP 41 N 0.00 0.98 -0.00 0.00 2.91 -1.18 -1.69 115.95 116.97 3hnl h TRP 41 Ca 0.00 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.05 3hnl h TRP 41 Cb 0.38 -0.31 0.00 0.00 -0.51 0.00 0.00 29.16 28.72 3hnl h TRP 41 CO 0.00 0.45 0.00 -1.13 -1.03 0.00 0.00 178.44 176.73 3hnl n SER 42 N -4.66 0.11 -4.84 2.65 3.41 -1.25 -4.82 113.62 104.23 3hnl n SER 42 Ca 0.14 -1.06 -0.32 0.00 -0.26 0.00 0.00 58.87 57.36 3hnl n SER 42 Cb 0.24 -0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.13 3hnl n SER 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hnl s ALA 43 N -2.00 3.23 -0.28 7.33 0.00 -0.64 -5.06 121.76 124.34 3hnl s ALA 43 Ca 0.46 0.13 -0.04 0.00 0.00 0.00 0.00 51.96 52.50 3hnl s ALA 43 Cb 0.21 -2.89 0.02 0.00 0.00 0.00 0.00 23.12 20.47 3hnl s ALA 43 CO 0.36 0.22 0.02 0.99 0.00 0.00 0.00 175.76 177.34 3hnl s THR 44 N -2.11 3.45 0.48 0.00 2.01 -1.26 -4.99 115.64 113.22 3hnl s THR 44 Ca 0.56 -0.90 -0.23 0.00 0.31 0.00 0.00 61.69 61.44 3hnl s THR 44 Cb -0.10 -2.80 -0.07 0.00 0.01 0.00 0.00 72.50 69.55 3hnl s THR 44 CO 0.18 0.10 1.25 -2.16 -0.69 0.00 0.00 174.62 173.30 3hnl s PRO 45 N 1.41 3.60 0.33 4.92 0.04 -1.26 -4.86 135.00 139.17 3hnl s PRO 45 Ca 0.01 1.99 0.10 0.00 0.04 0.00 0.00 61.00 63.14 3hnl s PRO 45 Cb -0.17 -2.42 0.99 0.00 0.04 0.00 0.00 34.50 32.93 3hnl s PRO 45 CO -0.01 -0.75 1.63 -1.35 0.04 0.00 0.00 177.00 176.57 3hnl h PRO 46 N 1.97 0.18 0.00 0.56 0.11 -1.99 0.30 132.00 133.13 3hnl h PRO 46 Ca -0.50 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.57 3hnl h PRO 46 Cb 1.26 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 3hnl h PRO 46 CO 0.60 0.12 -0.13 0.87 -0.21 0.00 0.00 178.00 179.25 3hnl h LYS 47 N 0.19 0.00 -0.44 1.05 6.56 -1.91 -2.95 116.57 119.07 3hnl h LYS 47 Ca 0.69 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.28 3hnl h LYS 47 Cb 1.56 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.22 3hnl h LYS 47 CO -0.69 0.13 0.00 1.28 -2.06 0.00 0.00 179.45 178.11 3hnl n LEU 48 N -3.39 4.17 0.26 2.94 4.77 0.08 -4.66 117.00 121.17 3hnl n LEU 48 Ca -0.01 -2.61 0.13 0.00 -0.03 0.00 0.00 56.01 53.49 3hnl n LEU 48 Cb 0.32 -0.50 0.73 0.00 -2.33 0.00 0.00 43.42 41.63 3hnl n LEU 48 CO 0.30 0.72 0.98 -0.08 -1.33 0.00 0.00 177.39 177.98 3hnl h GLU 49 N 2.81 0.00 -0.25 3.23 4.81 -1.32 -1.95 114.58 121.90 3hnl h GLU 49 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3hnl h GLU 49 Cb 1.36 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.74 3hnl h GLU 49 CO 0.21 0.11 0.00 -0.40 -0.73 0.00 0.00 179.01 178.20 3hnl n ASP 50 N -3.59 2.79 -4.92 1.04 5.75 -1.26 -4.90 116.55 111.45 3hnl n ASP 50 Ca -0.02 -1.89 -0.30 0.00 -0.01 0.00 0.00 54.79 52.57 3hnl n ASP 50 Cb 0.24 -0.16 -0.04 0.00 -1.03 0.00 0.00 41.12 40.13 3hnl n ASP 50 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3hnl s LYS 51 N -1.68 3.51 0.51 0.11 -0.14 -0.73 -5.09 119.74 116.22 3hnl s LYS 51 Ca 0.35 -0.33 -0.20 0.00 -1.36 0.00 0.00 55.97 54.43 3hnl s LYS 51 Cb 0.21 -2.93 -0.07 0.00 -1.68 0.00 0.00 37.83 33.35 3hnl s LYS 51 CO 0.30 0.51 1.07 -1.54 -0.76 0.00 0.00 175.35 174.94 3hnl s SER 52 N -2.71 6.11 0.58 2.83 1.04 -1.26 -4.93 113.70 115.36 3hnl s SER 52 Ca 0.37 2.02 0.28 0.00 0.48 0.00 0.00 55.95 59.11 3hnl s SER 52 Cb -0.12 -2.57 1.58 0.00 0.10 0.00 0.00 66.02 65.01 3hnl s SER 52 CO 0.27 -0.94 2.04 -0.65 0.98 0.00 0.00 173.24 174.94 3hnl h PRO 53 N 1.43 0.00 -0.36 4.02 0.11 -1.98 -1.12 132.00 134.10 3hnl h PRO 53 Ca -0.50 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.53 3hnl h PRO 53 Cb 1.24 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.30 3hnl h PRO 53 CO 0.58 0.00 0.03 -0.40 -0.21 0.00 0.00 178.00 178.00 3hnl n ASP 54 N -3.84 3.62 -4.74 -2.05 3.85 -1.26 -4.53 116.55 107.59 3hnl n ASP 54 Ca 0.04 -3.26 -0.35 0.00 -0.71 0.00 0.00 54.79 50.51 3hnl n ASP 54 Cb 0.44 -0.60 0.06 0.00 -1.35 0.00 0.00 41.12 39.67 3hnl n ASP 54 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 3hnl s SER 55 N -1.98 4.76 0.28 -1.12 1.04 -0.43 -4.83 113.70 111.43 3hnl s SER 55 Ca 0.45 2.28 0.02 0.00 0.48 0.00 0.00 55.95 59.18 3hnl s SER 55 Cb 0.37 -2.58 0.65 0.00 0.10 0.00 0.00 66.02 64.56 3hnl s SER 55 CO 0.07 -1.87 1.73 -0.65 0.98 0.00 0.00 173.24 173.49 3hnl h PRO 56 N 0.20 0.49 -0.89 4.02 0.11 -1.95 -1.38 132.00 132.61 3hnl h PRO 56 Ca -0.48 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 3hnl h PRO 56 Cb 1.28 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 32.24 3hnl h PRO 56 CO 0.53 0.32 0.53 0.93 -0.21 0.00 0.00 178.00 180.10 3hnl h GLU 57 N 0.51 1.21 -0.35 1.05 5.08 -1.93 0.23 114.58 120.37 3hnl h GLU 57 Ca 0.52 -0.12 -0.15 0.00 -1.00 0.00 0.00 59.36 58.61 3hnl h GLU 57 Cb 0.88 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 3hnl h GLU 57 CO -0.45 0.86 -0.36 0.52 -1.00 0.00 0.00 179.01 178.57 3hnl h MET 58 N 1.23 0.87 -0.73 2.33 2.86 -1.63 0.13 114.93 119.99 3hnl h MET 58 Ca 0.32 -0.46 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 3hnl h MET 58 Cb -0.04 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.61 3hnl h MET 58 CO -0.06 1.11 0.47 0.45 1.06 0.00 0.00 176.91 179.94 3hnl h HIS 59 N 0.67 0.94 -0.29 -0.22 3.86 -1.00 -1.56 115.15 117.54 3hnl h HIS 59 Ca 0.05 0.01 -0.15 0.00 -1.16 0.00 0.00 60.37 59.13 3hnl h HIS 59 Cb 0.95 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 29.10 3hnl h HIS 59 CO 0.07 0.60 -0.43 0.22 0.86 0.00 0.00 177.93 179.25 3hnl h ASP 60 N 1.00 0.79 0.01 2.45 3.58 -0.81 0.11 116.42 123.55 3hnl h ASP 60 Ca 0.27 -0.37 0.03 0.00 0.42 0.00 0.00 57.03 57.37 3hnl h ASP 60 Cb -0.09 -0.22 -0.04 0.00 1.72 0.00 0.00 39.33 40.70 3hnl h ASP 60 CO -0.06 1.11 -0.20 0.15 -2.88 0.00 0.00 179.24 177.36 3hnl h PHE 61 N 0.59 -0.53 -0.87 0.28 3.57 -0.62 -1.02 116.94 118.35 3hnl h PHE 61 Ca 0.04 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 3hnl h PHE 61 Cb 0.99 0.24 -0.04 0.00 2.79 0.00 0.00 35.95 39.92 3hnl h PHE 61 CO 0.05 -0.29 0.52 0.00 -2.23 0.00 0.00 178.31 176.37 3hnl h ARG 62 N -0.33 1.17 -0.19 1.11 3.08 -1.06 -1.71 114.38 116.45 3hnl h ARG 62 Ca 0.06 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 3hnl h ARG 62 Cb 0.40 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 3hnl h ARG 62 CO -0.18 0.82 0.10 1.25 -1.07 0.00 0.00 179.97 180.89 3hnl h HIS 63 N 1.19 0.24 -0.70 3.04 2.76 -0.39 -1.34 115.15 119.95 3hnl h HIS 63 Ca 0.31 0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.49 3hnl h HIS 63 Cb -0.05 -0.08 -0.04 0.00 1.55 0.00 0.00 27.41 28.79 3hnl h HIS 63 CO 0.00 0.17 0.46 0.78 -1.30 0.00 0.00 177.93 178.05 3hnl h GLY 64 N 0.31 0.99 1.70 5.26 0.00 -0.23 -0.38 103.07 110.72 3hnl h GLY 64 Ca 0.07 -0.36 -0.08 0.00 0.00 0.00 0.00 47.33 46.95 3hnl h GLY 64 CO -0.01 0.35 -0.24 0.74 0.00 0.00 0.00 176.54 177.37 3hnl h PHE 65 N 0.94 0.39 -0.05 5.60 0.05 -1.33 -2.64 116.94 119.89 3hnl h PHE 65 Ca 0.26 -0.08 -0.00 0.00 3.82 0.00 0.00 57.97 61.97 3hnl h PHE 65 Cb -0.09 -0.10 -0.00 0.00 2.00 0.00 0.00 35.95 37.76 3hnl h PHE 65 CO -0.03 0.58 0.03 2.35 -0.18 0.00 0.00 178.31 181.05 3hnl h TRP 66 N 0.32 0.07 -0.14 -0.55 2.91 -0.54 -0.02 115.95 118.00 3hnl h TRP 66 Ca 0.05 -0.00 0.01 0.00 1.13 0.00 0.00 58.89 60.08 3hnl h TRP 66 Cb 0.61 -0.02 -0.01 0.00 -0.51 0.00 0.00 29.16 29.22 3hnl h TRP 66 CO 0.01 0.15 0.06 0.82 -1.03 0.00 0.00 178.44 178.45 3hnl h ILE 67 N -0.03 0.98 -0.59 2.65 2.04 -1.11 -2.30 117.51 119.15 3hnl h ILE 67 Ca 0.02 -0.04 0.06 0.00 1.00 0.00 0.00 64.86 65.90 3hnl h ILE 67 Cb 0.11 0.84 -0.06 0.00 -0.74 0.00 0.00 36.82 36.97 3hnl h ILE 67 CO -0.00 0.02 0.29 0.25 0.00 0.00 0.00 178.15 178.71 3hnl h LEU 68 N 0.13 0.40 -0.47 1.44 5.85 -1.32 -1.60 115.31 119.73 3hnl h LEU 68 Ca 0.06 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 3hnl h LEU 68 Cb 0.02 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 3hnl h LEU 68 CO -0.05 0.26 0.21 0.40 -0.34 0.00 0.00 178.44 178.92 3hnl h ILE 69 N 0.55 1.20 -0.93 4.05 2.04 -0.73 0.13 117.51 123.81 3hnl h ILE 69 Ca 0.27 -0.58 0.03 0.00 1.00 0.00 0.00 64.86 65.59 3hnl h ILE 69 Cb 0.22 0.70 -0.05 0.00 -0.74 0.00 0.00 36.82 36.95 3hnl h ILE 69 CO -0.21 0.22 0.61 1.23 0.00 0.00 0.00 178.15 180.00 3hnl h GLY 70 N 0.62 1.35 1.57 5.37 0.00 -1.16 -1.82 103.07 108.99 3hnl h GLY 70 Ca 0.16 -0.47 -0.16 0.00 0.00 0.00 0.00 47.33 46.86 3hnl h GLY 70 CO -0.02 0.41 -0.60 1.46 0.00 0.00 0.00 176.54 177.79 3hnl h GLN 71 N 1.19 0.45 -0.56 4.80 4.20 -0.69 -0.92 115.11 123.57 3hnl h GLN 71 Ca 0.37 -0.30 -0.08 0.00 0.06 0.00 0.00 58.65 58.70 3hnl h GLN 71 Cb -0.02 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 3hnl h GLN 71 CO -0.11 0.92 0.04 0.82 -0.67 0.00 0.00 178.83 179.83 3hnl h ILE 72 N 0.33 1.25 -0.70 2.54 2.04 -0.64 -1.88 117.51 120.46 3hnl h ILE 72 Ca -0.00 -1.02 -0.05 0.00 1.00 0.00 0.00 64.86 64.78 3hnl h ILE 72 Cb 1.14 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.97 3hnl h ILE 72 CO 0.11 0.37 0.25 -0.74 0.00 0.00 0.00 178.15 178.14 3hnl h HIS 73 N 0.87 1.09 -0.69 1.37 2.76 -1.06 0.54 115.15 120.03 3hnl h HIS 73 Ca 0.17 -0.09 0.00 0.00 -2.20 0.00 0.00 60.37 58.25 3hnl h HIS 73 Cb 0.45 -0.32 -0.03 0.00 1.55 0.00 0.00 27.41 29.06 3hnl h HIS 73 CO 0.03 0.86 0.44 -0.44 -1.30 0.00 0.00 177.93 177.51 3hnl h ASP 74 N 1.01 0.81 -0.42 3.26 3.32 -0.82 -0.33 116.42 123.25 3hnl h ASP 74 Ca 0.23 -0.04 -0.10 0.00 0.02 0.00 0.00 57.03 57.14 3hnl h ASP 74 Cb 0.25 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 3hnl h ASP 74 CO -0.01 0.61 -0.09 0.00 -1.72 0.00 0.00 179.24 178.03 3hnl h ALA 75 N 1.24 0.93 -0.59 3.45 0.00 -0.93 -2.40 119.26 120.96 3hnl h ALA 75 Ca 0.25 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3hnl h ALA 75 Cb -0.07 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 3hnl h ALA 75 CO -0.05 0.63 0.35 1.25 0.00 0.00 0.00 179.25 181.43 3hnl h LEU 76 N 0.79 0.71 -1.16 0.00 5.85 -0.22 -2.43 115.31 118.85 3hnl h LEU 76 Ca 0.13 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 3hnl h LEU 76 Cb 0.60 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 3hnl h LEU 76 CO 0.04 0.57 0.21 0.45 -0.34 0.00 0.00 178.44 179.37 3hnl h HIS 77 N 0.80 0.81 -0.44 1.25 3.86 -0.81 -1.52 115.15 119.10 3hnl h HIS 77 Ca 0.21 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.38 3hnl h HIS 77 Cb -0.01 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.19 3hnl h HIS 77 CO -0.02 0.63 0.28 -0.07 0.86 0.00 0.00 177.93 179.61 3hnl h LEU 78 N 0.79 0.51 -0.60 2.43 3.38 -1.12 -1.80 115.31 118.91 3hnl h LEU 78 Ca 0.19 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3hnl h LEU 78 Cb 0.17 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3hnl h LEU 78 CO -0.02 0.39 0.39 0.00 0.09 0.00 0.00 178.44 179.30 3hnl h ALA 79 N 1.14 0.76 0.00 1.53 0.00 -0.99 -1.22 119.26 120.48 3hnl h ALA 79 Ca 0.16 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3hnl h ALA 79 Cb -0.04 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.51 3hnl h ALA 79 CO -0.03 0.20 0.00 -0.91 0.00 0.00 0.00 179.25 178.50 3hnl h ASN 80 N 0.81 0.00 0.14 0.00 -0.26 -1.05 0.11 115.58 115.32 3hnl h ASN 80 Ca 0.22 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.96 3hnl h ASN 80 Cb -0.08 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.18 3hnl h ASN 80 CO -0.05 0.00 -0.10 -0.62 -1.06 0.00 0.00 177.43 175.60 3hnl n GLU 81 N -2.74 1.15 -0.76 0.81 1.02 -0.70 -4.94 120.64 114.48 3hnl n GLU 81 Ca 0.01 -0.58 0.00 0.00 -0.02 0.00 0.00 57.16 56.57 3hnl n GLU 81 Cb 0.24 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 3hnl n GLU 81 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hnl n GLY 82 N 1.23 0.65 3.02 0.62 0.00 0.03 -4.97 105.19 105.77 3hnl n GLY 82 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 3hnl n GLY 82 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hnl n LYS 83 N -2.68 3.68 0.01 1.61 5.02 -0.51 -4.84 118.16 120.44 3hnl n LYS 83 Ca 0.00 -3.75 -0.13 0.00 -2.02 0.00 0.00 58.31 52.41 3hnl n LYS 83 Cb 0.00 -2.88 -0.09 0.00 -0.02 0.00 0.00 35.03 32.04 3hnl n LYS 83 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3hnl h VAL 84 N 3.88 1.25 -0.86 -0.18 2.07 -1.86 -0.48 116.25 120.08 3hnl h VAL 84 Ca 0.35 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 3hnl h VAL 84 Cb 0.68 1.76 -0.04 0.00 -1.52 0.00 0.00 31.29 32.18 3hnl h VAL 84 CO 1.49 0.19 0.49 0.11 0.02 0.00 0.00 177.57 179.88 3hnl h LYS 85 N -0.32 1.18 -0.49 1.57 1.79 -1.97 0.42 116.57 118.75 3hnl h LYS 85 Ca -0.00 -0.12 -0.10 0.00 -2.18 0.00 0.00 60.65 58.25 3hnl h LYS 85 Cb 0.32 -0.24 -0.02 0.00 -1.58 0.00 0.00 32.23 30.71 3hnl h LYS 85 CO 0.00 0.85 -0.09 1.49 -1.08 0.00 0.00 179.45 180.62 3hnl h GLU 86 N 1.19 0.89 -0.24 3.15 4.81 -1.93 -0.45 114.58 122.01 3hnl h GLU 86 Ca 0.30 -0.30 -0.14 0.00 -0.13 0.00 0.00 59.36 59.10 3hnl h GLU 86 Cb -0.00 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 3hnl h GLU 86 CO -0.05 0.94 -0.42 0.00 -0.73 0.00 0.00 179.01 178.74 3hnl h ALA 87 N 1.09 0.82 -0.62 2.92 0.00 -0.32 -0.56 119.26 122.59 3hnl h ALA 87 Ca 0.13 -0.45 -0.07 0.00 0.00 0.00 0.00 54.91 54.52 3hnl h ALA 87 Cb 0.60 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3hnl h ALA 87 CO 0.04 0.65 0.10 1.96 0.00 0.00 0.00 179.25 182.00 3hnl h GLN 88 N 0.47 1.04 -0.41 0.00 4.20 -0.72 -1.34 115.11 118.35 3hnl h GLN 88 Ca 0.04 -0.28 -0.06 0.00 0.06 0.00 0.00 58.65 58.40 3hnl h GLN 88 Cb 0.93 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.58 3hnl h GLN 88 CO 0.08 0.97 0.02 0.00 -0.67 0.00 0.00 178.83 179.23 3hnl h ALA 89 N 1.03 0.55 -0.93 3.87 0.00 -0.92 -1.77 119.26 121.09 3hnl h ALA 89 Ca 0.19 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.86 3hnl h ALA 89 Cb 0.44 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 3hnl h ALA 89 CO 0.01 0.31 0.61 0.00 0.00 0.00 0.00 179.25 180.19 3hnl h ALA 90 N 0.90 1.18 -0.45 0.00 0.00 -1.03 -1.95 119.26 117.91 3hnl h ALA 90 Ca 0.12 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3hnl h ALA 90 Cb 0.45 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3hnl h ALA 90 CO 0.02 0.58 0.11 0.00 0.00 0.00 0.00 179.25 179.96 3hnl h ALA 91 N 1.34 0.59 -0.78 0.00 0.00 -1.04 -2.67 119.26 116.70 3hnl h ALA 91 Ca 0.34 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 55.06 3hnl h ALA 91 Cb -0.14 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.44 3hnl h ALA 91 CO -0.07 0.28 0.52 1.49 0.00 0.00 0.00 179.25 181.46 3hnl h GLU 92 N 0.60 1.00 0.00 0.00 4.57 -1.08 -2.20 114.58 117.47 3hnl h GLU 92 Ca 0.14 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 3hnl h GLU 92 Cb 0.32 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 3hnl h GLU 92 CO 0.00 0.66 0.00 1.04 -1.18 0.00 0.00 179.01 179.54 3hnl n GLN 93 N -4.43 0.09 0.23 1.92 1.13 -0.75 -2.50 117.38 113.06 3hnl n GLN 93 Ca 0.09 0.24 0.12 0.00 -1.94 0.00 0.00 57.00 55.51 3hnl n GLN 93 Cb 0.05 -1.65 0.73 0.00 0.11 0.00 0.00 30.24 29.48 3hnl n GLN 93 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 3hnl h LEU 94 N 0.00 0.00 -2.01 1.08 4.07 -1.09 -2.90 115.31 114.45 3hnl h LEU 94 Ca 0.00 0.00 0.16 0.00 0.08 0.00 0.00 57.88 58.12 3hnl h LEU 94 Cb 0.41 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.13 3hnl h LEU 94 CO 0.00 0.00 0.40 0.11 -1.08 0.00 0.00 178.44 177.87 3hnl h LYS 95 N 0.00 0.00 0.00 1.13 1.57 -1.64 0.15 116.57 117.78 3hnl h LYS 95 Ca 0.04 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.74 3hnl h LYS 95 Cb 0.20 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 3hnl h LYS 95 CO -0.00 0.00 -0.41 1.79 -0.57 0.00 0.00 179.45 180.26 3hnl h THR 96 N 0.00 1.27 0.01 -0.16 1.35 -1.77 0.11 112.91 113.73 3hnl h THR 96 Ca 0.25 -1.43 -0.26 0.00 -0.55 0.00 0.00 66.41 64.43 3hnl h THR 96 Cb 1.05 1.78 0.02 0.00 -1.73 0.00 0.00 68.15 69.26 3hnl h THR 96 CO -0.00 0.41 -1.02 0.74 -0.25 0.00 0.00 175.52 175.39 3hnl h THR 97 N 0.00 1.30 -0.24 6.82 2.02 -0.93 -1.38 112.91 120.49 3hnl h THR 97 Ca -0.00 -2.25 0.06 0.00 0.77 0.00 0.00 66.41 64.99 3hnl h THR 97 Cb 0.74 2.44 -0.07 0.00 -1.74 0.00 0.00 68.15 69.53 3hnl h THR 97 CO 0.05 0.69 -0.23 0.00 0.37 0.00 0.00 175.52 176.41 3hnl h ASN 99 N -0.23 0.74 -0.60 0.00 -1.24 -0.80 -2.26 115.58 111.19 3hnl h ASN 99 Ca 0.14 -0.34 0.10 0.00 0.71 0.00 0.00 56.30 56.91 3hnl h ASN 99 Cb 0.44 -0.21 -0.08 0.00 0.73 0.00 0.00 38.32 39.21 3hnl h ASN 99 CO -0.38 1.06 0.19 0.00 -1.29 0.00 0.00 177.43 177.01 3hnl h ALA 100 N 0.98 0.75 -0.18 1.57 0.00 -1.13 0.85 119.26 122.10 3hnl h ALA 100 Ca 0.05 0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 3hnl h ALA 100 Cb 0.94 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 3hnl h ALA 100 CO 0.09 -0.23 -0.19 0.00 0.00 0.00 0.00 179.25 178.91 3hnl h HIS 102 N 0.11 1.12 -0.62 0.00 -0.00 -0.86 0.13 115.15 115.04 3hnl h HIS 102 Ca 0.03 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.41 3hnl h HIS 102 Cb 0.74 -0.36 -0.03 0.00 -0.00 0.00 0.00 27.41 27.76 3hnl h HIS 102 CO 0.08 0.53 0.30 0.37 -0.00 0.00 0.00 177.93 179.22 3hnl h GLN 103 N 1.06 0.89 0.01 2.45 5.75 -0.87 0.04 115.11 124.44 3hnl h GLN 103 Ca 0.44 -0.13 -0.13 0.00 -0.15 0.00 0.00 58.65 58.68 3hnl h GLN 103 Cb 0.27 -0.16 0.01 0.00 1.07 0.00 0.00 27.48 28.67 3hnl h GLN 103 CO -0.20 0.71 -0.52 0.87 -2.65 0.00 0.00 178.83 177.03 3hnl h LYS 104 N 0.85 0.34 0.00 1.69 1.57 -1.34 -3.42 116.57 116.26 3hnl h LYS 104 Ca 0.21 -0.38 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 3hnl h LYS 104 Cb 0.11 0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.53 3hnl h LYS 104 CO -0.03 1.07 -0.03 0.66 -0.57 0.00 0.00 179.45 180.55 3hnl n TYR 105 N -4.28 0.00 1.54 -1.35 0.53 0.40 -5.11 117.16 108.89 3hnl n TYR 105 Ca -0.10 0.00 0.14 0.00 -1.02 0.00 0.00 57.90 56.92 3hnl n TYR 105 Cb 0.64 0.00 0.56 0.00 -1.03 0.00 0.00 39.34 39.51 3hnl n TYR 105 CO 0.00 0.00 0.00 -2.13 -1.02 0.00 0.00 176.86 173.71