#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f72 n GLY 11 N 0.00 4.58 2.71 7.13 0.00 -1.26 -5.18 105.19 113.18 3f72 n GLY 11 Ca 0.00 -0.54 -0.23 0.00 0.00 0.00 0.00 46.02 45.25 3f72 n GLY 11 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3f72 s TYR 12 N 2.94 0.49 -1.48 1.61 5.04 -1.26 -4.89 117.35 119.81 3f72 s TYR 12 Ca 0.00 -0.19 -0.04 0.00 -2.44 0.00 0.00 57.07 54.40 3f72 s TYR 12 Cb 0.00 -0.74 0.03 0.00 0.35 0.00 0.00 41.96 41.61 3f72 s TYR 12 CO 0.00 -0.37 0.46 -0.25 -1.34 0.00 0.00 175.55 174.05 3f72 n ASP 13 N 5.19 -0.81 0.15 4.32 8.00 -1.26 -4.79 116.55 127.35 3f72 n ASP 13 Ca -0.06 -1.03 0.01 0.00 0.71 0.00 0.00 54.79 54.42 3f72 n ASP 13 Cb 0.49 -2.87 0.32 0.00 -0.02 0.00 0.00 41.12 39.04 3f72 n ASP 13 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 3f72 h GLU 14 N -1.77 0.11 0.07 -1.24 4.39 -1.98 0.24 114.58 114.39 3f72 h GLU 14 Ca -0.63 -0.04 -0.31 0.00 0.34 0.00 0.00 59.36 58.72 3f72 h GLU 14 Cb 1.38 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 30.00 3f72 h GLU 14 CO 0.66 0.45 -1.68 1.05 -1.16 0.00 0.00 179.01 178.33 3f72 h GLU 15 N 0.10 0.14 0.35 2.33 4.11 -1.97 -1.09 114.58 118.55 3f72 h GLU 15 Ca 0.01 -0.25 -0.02 0.00 0.07 0.00 0.00 59.36 59.18 3f72 h GLU 15 Cb 0.67 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.01 3f72 h GLU 15 CO 0.05 0.90 -0.17 -0.22 0.07 0.00 0.00 179.01 179.64 3f72 h LYS 16 N 0.04 -0.46 -0.97 1.06 3.64 -1.91 -0.14 116.57 117.83 3f72 h LYS 16 Ca -0.29 0.03 0.23 0.00 -1.27 0.00 0.00 60.65 59.35 3f72 h LYS 16 Cb 2.00 0.10 -0.18 0.00 -0.41 0.00 0.00 32.23 33.75 3f72 h LYS 16 CO 0.11 -0.14 -0.11 0.28 -2.27 0.00 0.00 179.45 177.32 3f72 h VAL 17 N -0.82 0.04 -0.35 2.00 2.07 -1.06 -1.53 116.25 116.59 3f72 h VAL 17 Ca -0.05 -0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.31 3f72 h VAL 17 Cb 0.53 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 3f72 h VAL 17 CO 0.08 0.00 -0.39 -1.13 0.02 0.00 0.00 177.57 176.15 3f72 h ASN 18 N 0.01 0.92 0.06 0.57 -0.73 -1.09 0.13 115.58 115.45 3f72 h ASN 18 Ca 0.52 -0.42 -0.00 0.00 1.87 0.00 0.00 56.30 58.27 3f72 h ASN 18 Cb 0.94 -0.26 -0.01 0.00 0.27 0.00 0.00 38.32 39.27 3f72 h ASN 18 CO -0.95 1.20 -0.09 -0.09 -0.37 0.00 0.00 177.43 177.13 3f72 h ARG 19 N 0.70 -0.15 -1.02 6.67 2.43 -0.66 -2.66 114.38 119.70 3f72 h ARG 19 Ca 0.06 0.01 0.26 0.00 -0.81 0.00 0.00 59.98 59.49 3f72 h ARG 19 Cb 0.97 0.03 -0.12 0.00 -0.42 0.00 0.00 29.97 30.44 3f72 h ARG 19 CO 0.09 -0.10 0.61 0.82 -1.51 0.00 0.00 179.97 179.88 3f72 h ILE 20 N -0.15 0.52 0.00 1.20 2.04 -1.25 0.18 117.51 120.03 3f72 h ILE 20 Ca -0.01 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 3f72 h ILE 20 Cb 0.14 -0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 36.16 3f72 h ILE 20 CO -0.02 0.10 -0.06 1.56 0.00 0.00 0.00 178.15 179.72 3f72 h GLN 21 N 0.53 0.00 0.02 2.37 4.20 -0.69 -1.44 115.11 120.11 3f72 h GLN 21 Ca 0.64 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 59.31 3f72 h GLN 21 Cb 1.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.10 3f72 h GLN 21 CO -0.45 0.06 -0.18 0.78 -0.67 0.00 0.00 178.83 178.37 3f72 h GLY 22 N 0.32 0.10 -0.21 3.46 0.00 -0.32 -2.72 103.07 103.70 3f72 h GLY 22 Ca -0.00 -0.21 0.03 0.00 0.00 0.00 0.00 47.33 47.15 3f72 h GLY 22 CO 0.01 0.19 -0.33 -0.55 0.00 0.00 0.00 176.54 175.86 3f72 h ASP 23 N -0.74 -1.09 -0.85 0.19 3.32 -1.19 -2.43 116.42 113.64 3f72 h ASP 23 Ca -0.03 0.14 0.25 0.00 0.02 0.00 0.00 57.03 57.41 3f72 h ASP 23 Cb 1.05 0.44 -0.03 0.00 0.22 0.00 0.00 39.33 41.00 3f72 h ASP 23 CO 0.03 -0.25 0.74 -0.07 -1.72 0.00 0.00 179.24 177.97 3f72 h LEU 24 N -0.25 0.00 0.00 1.55 3.38 -1.28 0.01 115.31 118.71 3f72 h LEU 24 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3f72 h LEU 24 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3f72 h LEU 24 CO -0.33 0.00 -0.32 1.56 0.09 0.00 0.00 178.44 179.44 3f72 h GLN 25 N 0.00 0.00 -0.09 1.13 1.08 -1.10 -3.04 115.11 113.09 3f72 h GLN 25 Ca 0.40 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.60 3f72 h GLN 25 Cb 1.87 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.30 3f72 h GLN 25 CO -0.00 0.00 0.00 0.25 -0.95 0.00 0.00 178.83 178.13 3f72 n THR 26 N -2.44 0.10 -4.64 -0.54 -2.24 -0.01 -4.93 114.28 99.58 3f72 n THR 26 Ca 0.04 -0.29 -0.26 0.00 -2.27 0.00 0.00 64.05 61.27 3f72 n THR 26 Cb 0.47 0.39 -0.14 0.00 -2.10 0.00 0.00 70.33 68.95 3f72 n THR 26 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3f72 s VAL 27 N -1.90 1.76 -1.37 2.28 0.11 -1.15 -5.03 120.40 115.10 3f72 s VAL 27 Ca 0.35 -1.27 -0.10 0.00 -2.93 0.00 0.00 61.98 58.03 3f72 s VAL 27 Cb 0.19 -1.53 0.10 0.00 -1.53 0.00 0.00 36.38 33.61 3f72 s VAL 27 CO 0.30 0.20 2.13 -0.67 -3.33 0.00 0.00 175.10 173.73 3f72 n ASP 28 N 1.74 5.26 -0.28 3.54 2.03 -1.26 -4.61 116.55 122.98 3f72 n ASP 28 Ca -0.17 -2.99 -0.06 0.00 0.52 0.00 0.00 54.79 52.09 3f72 n ASP 28 Cb 0.53 -1.53 0.06 0.00 -0.72 0.00 0.00 41.12 39.46 3f72 n ASP 28 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 3f72 h ILE 29 N 3.65 1.25 -0.60 5.18 1.08 -1.96 -2.43 117.51 123.68 3f72 h ILE 29 Ca 0.52 -0.78 0.08 0.00 -0.39 0.00 0.00 64.86 64.29 3f72 h ILE 29 Cb 0.57 0.35 -0.07 0.00 -3.07 0.00 0.00 36.82 34.60 3f72 h ILE 29 CO 1.71 0.32 0.26 -1.28 -0.69 0.00 0.00 178.15 178.47 3f72 h SER 30 N 1.09 0.30 0.10 1.72 0.87 -1.96 -1.73 113.55 113.94 3f72 h SER 30 Ca 0.25 0.06 -0.10 0.00 -1.23 0.00 0.00 61.79 60.78 3f72 h SER 30 Cb 0.20 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.16 3f72 h SER 30 CO -0.02 0.19 -0.32 1.23 -0.53 0.00 0.00 176.83 177.38 3f72 h GLY 31 N 0.47 0.36 0.89 5.77 0.00 -1.86 -2.47 103.07 106.23 3f72 h GLY 31 Ca 0.29 -0.30 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 3f72 h GLY 31 CO -0.26 0.28 0.08 -2.08 0.00 0.00 0.00 176.54 174.55 3f72 h VAL 32 N 0.29 1.21 -0.20 4.60 2.07 -1.00 -2.33 116.25 120.88 3f72 h VAL 32 Ca 0.04 -0.68 -0.02 0.00 0.82 0.00 0.00 66.70 66.86 3f72 h VAL 32 Cb 0.70 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 3f72 h VAL 32 CO 0.05 0.22 0.01 -1.28 0.02 0.00 0.00 177.57 176.60 3f72 h SER 33 N 0.30 0.26 -0.26 0.57 0.87 -1.28 0.85 113.55 114.86 3f72 h SER 33 Ca 0.09 -0.03 -0.13 0.00 -1.23 0.00 0.00 61.79 60.49 3f72 h SER 33 Cb 0.26 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.15 3f72 h SER 33 CO -0.00 0.30 -0.32 1.56 -0.53 0.00 0.00 176.83 177.84 3f72 h GLN 34 N 0.28 0.78 0.14 2.24 1.08 -1.07 -2.00 115.11 116.57 3f72 h GLN 34 Ca 0.07 -0.36 -0.01 0.00 -1.45 0.00 0.00 58.65 56.90 3f72 h GLN 34 Cb 0.18 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.60 3f72 h GLN 34 CO 0.00 0.99 -0.07 0.82 -0.95 0.00 0.00 178.83 179.62 3f72 h ILE 35 N 0.66 1.02 -0.33 2.54 1.08 -0.88 -2.14 117.51 119.45 3f72 h ILE 35 Ca 0.07 -0.96 -0.01 0.00 -0.39 0.00 0.00 64.86 63.57 3f72 h ILE 35 Cb 0.86 1.58 -0.02 0.00 -3.07 0.00 0.00 36.82 36.17 3f72 h ILE 35 CO 0.07 0.22 0.15 -0.07 -0.69 0.00 0.00 178.15 177.83 3f72 h LEU 36 N -0.67 0.40 -0.78 1.44 3.38 -0.89 -1.56 115.31 116.62 3f72 h LEU 36 Ca -0.02 -0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.81 3f72 h LEU 36 Cb 0.50 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3f72 h LEU 36 CO 0.03 0.35 -0.24 0.50 0.09 0.00 0.00 178.44 179.17 3f72 h LYS 37 N 0.46 0.65 -0.09 1.13 3.64 -1.37 0.76 116.57 121.74 3f72 h LYS 37 Ca 0.12 -0.26 -0.01 0.00 -1.27 0.00 0.00 60.65 59.23 3f72 h LYS 37 Cb 0.06 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.84 3f72 h LYS 37 CO -0.02 0.84 0.02 0.00 -2.27 0.00 0.00 179.45 178.02 3f72 h ALA 38 N 1.16 0.13 -0.25 5.00 0.00 -0.66 -3.09 119.26 121.56 3f72 h ALA 38 Ca 0.08 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 3f72 h ALA 38 Cb 0.71 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3f72 h ALA 38 CO 0.05 -0.23 -0.49 0.82 0.00 0.00 0.00 179.25 179.40 3f72 h ILE 39 N -0.07 1.30 0.00 0.00 2.04 -0.95 -3.36 117.51 116.48 3f72 h ILE 39 Ca 0.03 -1.70 0.00 0.00 1.00 0.00 0.00 64.86 64.19 3f72 h ILE 39 Cb 0.28 1.64 0.00 0.00 -0.74 0.00 0.00 36.82 38.00 3f72 h ILE 39 CO 0.00 0.54 0.00 0.00 0.00 0.00 0.00 178.15 178.69 3f72 h ALA 40 N 0.92 1.00 -2.70 1.87 0.00 0.62 -2.93 119.26 118.04 3f72 h ALA 40 Ca 0.02 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.42 3f72 h ALA 40 Cb 1.04 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.86 3f72 h ALA 40 CO 0.10 0.00 0.57 0.34 0.00 0.00 0.00 179.25 180.26 3f72 s ASP 41 N -5.13 7.05 0.30 0.00 -1.08 -1.26 -4.78 116.67 111.77 3f72 s ASP 41 Ca -0.03 2.31 0.03 0.00 -0.52 0.00 0.00 52.55 54.34 3f72 s ASP 41 Cb 0.11 -2.61 0.61 0.00 -1.46 0.00 0.00 42.92 39.57 3f72 s ASP 41 CO 0.42 -0.38 1.85 -0.08 0.52 0.00 0.00 175.17 177.50 3f72 h GLU 42 N 4.91 0.91 0.02 4.34 4.81 -1.95 0.28 114.58 127.89 3f72 h GLU 42 Ca -0.45 -0.05 -0.24 0.00 -0.13 0.00 0.00 59.36 58.49 3f72 h GLU 42 Cb 1.21 -0.20 0.01 0.00 0.63 0.00 0.00 28.75 30.40 3f72 h GLU 42 CO 0.73 0.60 -0.99 -0.91 -0.73 0.00 0.00 179.01 177.71 3f72 h ASN 43 N 0.93 0.58 0.05 1.04 4.21 -1.92 -1.49 115.58 118.99 3f72 h ASN 43 Ca 0.48 -0.48 -0.14 0.00 1.21 0.00 0.00 56.30 57.37 3f72 h ASN 43 Cb 0.52 -0.18 -0.01 0.00 -1.12 0.00 0.00 38.32 37.53 3f72 h ASN 43 CO -0.24 1.29 -0.46 0.03 -1.29 0.00 0.00 177.43 176.76 3f72 h ARG 44 N 0.24 0.49 -0.33 0.81 3.08 -1.31 -1.44 114.38 115.91 3f72 h ARG 44 Ca -0.09 -0.27 -0.06 0.00 0.07 0.00 0.00 59.98 59.63 3f72 h ARG 44 Cb 1.64 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.69 3f72 h ARG 44 CO 0.17 0.85 -0.06 0.00 -1.07 0.00 0.00 179.97 179.86 3f72 h ALA 45 N 1.11 1.28 -0.30 0.04 0.00 -0.35 0.27 119.26 121.32 3f72 h ALA 45 Ca 0.03 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 3f72 h ALA 45 Cb 0.95 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3f72 h ALA 45 CO 0.08 0.48 -0.14 0.87 0.00 0.00 0.00 179.25 180.55 3f72 h LYS 46 N 0.51 0.61 -0.30 0.00 1.57 -1.13 -2.07 116.57 115.76 3f72 h LYS 46 Ca 0.10 -0.26 -0.02 0.00 -1.87 0.00 0.00 60.65 58.60 3f72 h LYS 46 Cb 0.42 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 3f72 h LYS 46 CO 0.02 0.84 0.11 0.82 -0.57 0.00 0.00 179.45 180.67 3f72 h ILE 47 N 0.37 1.19 0.22 1.86 1.08 -0.87 -1.35 117.51 120.01 3f72 h ILE 47 Ca 0.07 -0.58 0.01 0.00 -0.39 0.00 0.00 64.86 63.96 3f72 h ILE 47 Cb 0.65 1.01 -0.02 0.00 -3.07 0.00 0.00 36.82 35.39 3f72 h ILE 47 CO 0.04 0.20 -0.27 0.74 -0.69 0.00 0.00 178.15 178.17 3f72 h THR 48 N 0.34 0.43 -0.79 -0.27 2.02 -0.44 -2.10 112.91 112.10 3f72 h THR 48 Ca 0.10 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.36 3f72 h THR 48 Cb 0.20 0.43 -0.07 0.00 -1.74 0.00 0.00 68.15 66.97 3f72 h THR 48 CO -0.01 0.00 0.45 0.22 0.37 0.00 0.00 175.52 176.55 3f72 h TYR 49 N -0.54 0.82 0.00 3.16 3.20 -1.40 -1.51 116.97 120.70 3f72 h TYR 49 Ca 0.00 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.87 3f72 h TYR 49 Cb 0.52 -0.25 -0.00 0.00 1.54 0.00 0.00 36.73 38.53 3f72 h TYR 49 CO -0.19 0.36 -0.14 0.00 -1.64 0.00 0.00 178.16 176.55 3f72 h ALA 50 N 1.42 1.69 -0.00 1.82 0.00 -0.71 -1.85 119.26 121.63 3f72 h ALA 50 Ca 0.37 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3f72 h ALA 50 Cb 0.28 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3f72 h ALA 50 CO -0.22 0.17 -0.06 1.28 0.00 0.00 0.00 179.25 180.42 3f72 n LEU 51 N -4.25 0.19 0.10 0.00 4.77 -0.60 -2.80 117.00 114.40 3f72 n LEU 51 Ca -0.02 0.20 0.12 0.00 -0.03 0.00 0.00 56.01 56.27 3f72 n LEU 51 Cb 0.21 -0.27 0.21 0.00 -2.33 0.00 0.00 43.42 41.24 3f72 n LEU 51 CO 0.35 0.04 0.51 0.00 -1.33 0.00 0.00 177.39 176.96 3f72 n GLN 53 N -2.36 0.68 -4.60 0.00 1.13 -1.17 -4.93 117.38 106.12 3f72 n GLN 53 Ca 0.04 0.21 -0.28 0.00 -1.94 0.00 0.00 57.00 55.03 3f72 n GLN 53 Cb 0.46 -1.58 -0.14 0.00 0.11 0.00 0.00 30.24 29.09 3f72 n GLN 53 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3f72 s ASP 54 N -6.77 2.95 0.28 1.08 1.11 -1.12 -5.00 116.67 109.19 3f72 s ASP 54 Ca -0.31 -0.63 -0.00 0.00 0.18 0.00 0.00 52.55 51.78 3f72 s ASP 54 Cb 0.09 -0.23 0.50 0.00 1.07 0.00 0.00 42.92 44.35 3f72 s ASP 54 CO 0.64 0.18 1.85 -0.08 1.18 0.00 0.00 175.17 178.95 3f72 h GLU 55 N 4.44 1.02 -2.93 8.23 4.57 -1.91 -3.42 114.58 124.58 3f72 h GLU 55 Ca -0.47 -0.06 -0.12 0.00 -1.18 0.00 0.00 59.36 57.53 3f72 h GLU 55 Cb 1.16 -0.23 -0.22 0.00 -0.16 0.00 0.00 28.75 29.30 3f72 h GLU 55 CO 0.42 0.68 -0.27 -1.21 -1.18 0.00 0.00 179.01 177.45 3f72 s GLU 56 N -5.99 0.58 -0.01 1.92 2.02 -1.26 -4.36 118.70 111.61 3f72 s GLU 56 Ca -0.12 0.10 -0.14 0.00 0.02 0.00 0.00 54.97 54.83 3f72 s GLU 56 Cb 0.21 0.27 0.02 0.00 0.10 0.00 0.00 34.13 34.73 3f72 s GLU 56 CO 0.81 -0.14 0.28 -0.51 0.02 0.00 0.00 175.26 175.73 3f72 s LEU 57 N -0.72 0.96 0.48 1.80 1.43 -0.52 -4.98 118.68 117.14 3f72 s LEU 57 Ca -0.08 0.01 0.09 0.00 -1.03 0.00 0.00 54.13 53.12 3f72 s LEU 57 Cb -0.04 1.19 0.04 0.00 0.03 0.00 0.00 46.19 47.40 3f72 s LEU 57 CO 0.03 -0.45 0.63 0.00 0.23 0.00 0.00 176.35 176.79 3f72 h VAL 59 N 0.50 1.10 -0.36 0.00 3.04 -1.99 -1.09 116.25 117.45 3f72 h VAL 59 Ca -0.36 -0.34 -0.09 0.00 -1.01 0.00 0.00 66.70 64.89 3f72 h VAL 59 Cb 1.28 0.86 -0.01 0.00 -2.01 0.00 0.00 31.29 31.42 3f72 h VAL 59 CO 0.45 0.13 -0.14 0.00 -1.01 0.00 0.00 177.57 176.99 3f72 h ASP 61 N 0.51 0.08 -0.36 0.00 3.32 -1.79 -1.66 116.42 116.52 3f72 h ASP 61 Ca 0.08 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 3f72 h ASP 61 Cb 0.67 0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.25 3f72 h ASP 61 CO 0.05 0.08 0.19 0.40 -1.72 0.00 0.00 179.24 178.24 3f72 h ILE 62 N 0.24 1.15 -0.20 0.35 2.04 -0.97 0.38 117.51 120.49 3f72 h ILE 62 Ca 0.17 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 3f72 h ILE 62 Cb 0.17 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 3f72 h ILE 62 CO -0.19 0.15 0.10 0.00 0.00 0.00 0.00 178.15 178.21 3f72 h ALA 63 N 1.05 0.26 -0.84 1.87 0.00 -0.89 0.66 119.26 121.38 3f72 h ALA 63 Ca 0.13 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3f72 h ALA 63 Cb 0.07 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3f72 h ALA 63 CO -0.02 -0.18 0.49 -0.97 0.00 0.00 0.00 179.25 178.57 3f72 h ASN 64 N 0.20 1.01 -0.33 0.00 -1.24 -0.79 0.55 115.58 114.98 3f72 h ASN 64 Ca 0.07 -0.07 -0.02 0.00 0.71 0.00 0.00 56.30 56.99 3f72 h ASN 64 Cb 0.11 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 38.89 3f72 h ASN 64 CO -0.01 0.79 0.14 0.40 -1.29 0.00 0.00 177.43 177.46 3f72 h ILE 65 N 1.15 1.18 0.00 2.57 2.04 -0.16 -2.66 117.51 121.63 3f72 h ILE 65 Ca 0.30 -0.53 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 3f72 h ILE 65 Cb -0.03 0.91 -0.00 0.00 -0.74 0.00 0.00 36.82 36.96 3f72 h ILE 65 CO -0.05 0.19 -0.06 -0.07 0.00 0.00 0.00 178.15 178.16 3f72 h LEU 66 N 0.39 0.00 -1.07 1.44 3.38 -0.71 -3.47 115.31 115.28 3f72 h LEU 66 Ca 0.11 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.96 3f72 h LEU 66 Cb 0.16 0.00 0.05 0.00 0.09 0.00 0.00 40.66 40.96 3f72 h LEU 66 CO -0.01 0.06 -0.22 0.61 0.09 0.00 0.00 178.44 178.97 3f72 n GLY 67 N 0.58 0.44 3.49 0.83 0.00 0.17 -5.05 105.19 105.65 3f72 n GLY 67 Ca 0.02 -0.37 -0.23 0.00 0.00 0.00 0.00 46.02 45.44 3f72 n GLY 67 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3f72 s VAL 68 N -3.10 1.32 0.58 1.61 -7.23 0.18 -5.03 120.40 108.73 3f72 s VAL 68 Ca 0.16 -2.00 -0.19 0.00 -1.81 0.00 0.00 61.98 58.14 3f72 s VAL 68 Cb -0.07 -2.81 -0.04 0.00 0.56 0.00 0.00 36.38 34.02 3f72 s VAL 68 CO 0.23 0.00 1.22 0.42 -0.31 0.00 0.00 175.10 176.66 3f72 s THR 69 N -3.18 2.61 0.34 5.32 -4.23 -1.26 -4.47 115.64 110.77 3f72 s THR 69 Ca 0.35 0.39 0.13 0.00 -1.18 0.00 0.00 61.69 61.39 3f72 s THR 69 Cb 0.09 -3.16 0.34 0.00 1.34 0.00 0.00 72.50 71.10 3f72 s THR 69 CO 0.16 -0.07 1.71 0.40 -0.54 0.00 0.00 174.62 176.28 3f72 h ILE 70 N 0.98 0.44 -0.57 2.99 2.04 -1.91 -1.81 117.51 119.68 3f72 h ILE 70 Ca -0.50 -0.16 -0.03 0.00 1.00 0.00 0.00 64.86 65.17 3f72 h ILE 70 Cb 1.30 -0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 3f72 h ILE 70 CO 0.56 0.08 0.25 0.00 0.00 0.00 0.00 178.15 179.04 3f72 h ALA 71 N 1.75 0.73 -0.24 1.87 0.00 -1.98 -2.45 119.26 118.94 3f72 h ALA 71 Ca 0.67 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 55.29 3f72 h ALA 71 Cb 1.47 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 3f72 h ALA 71 CO -0.49 0.32 -0.48 -0.97 0.00 0.00 0.00 179.25 177.64 3f72 h ASN 72 N 0.77 0.69 -0.05 0.00 -0.00 -1.87 -2.72 115.58 112.40 3f72 h ASN 72 Ca 0.19 -0.34 -0.04 0.00 -0.00 0.00 0.00 56.30 56.11 3f72 h ASN 72 Cb 0.16 -0.19 -0.01 0.00 -0.00 0.00 0.00 38.32 38.27 3f72 h ASN 72 CO -0.02 1.05 -0.08 0.00 -0.00 0.00 0.00 177.43 178.39 3f72 h ALA 73 N 0.97 1.52 0.00 1.57 0.00 -1.21 -2.83 119.26 119.28 3f72 h ALA 73 Ca 0.03 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.61 3f72 h ALA 73 Cb 1.02 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3f72 h ALA 73 CO 0.09 0.34 -0.67 0.77 0.00 0.00 0.00 179.25 179.78 3f72 h SER 74 N 0.28 0.00 0.24 0.00 0.02 -1.14 0.22 113.55 113.18 3f72 h SER 74 Ca 0.06 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.68 3f72 h SER 74 Cb 0.32 0.00 0.04 0.00 0.14 0.00 0.00 62.40 62.89 3f72 h SER 74 CO 0.02 0.67 -1.46 -0.74 -1.14 0.00 0.00 176.83 174.18 3f72 h HIS 75 N 0.00 0.94 -0.04 3.45 6.17 -1.40 -0.97 115.15 123.30 3f72 h HIS 75 Ca -0.01 -0.69 -0.12 0.00 0.71 0.00 0.00 60.37 60.27 3f72 h HIS 75 Cb 1.33 -0.04 -0.01 0.00 2.52 0.00 0.00 27.41 31.21 3f72 h HIS 75 CO 0.00 1.56 -0.52 0.45 0.71 0.00 0.00 177.93 180.13 3f72 h HIS 76 N 0.10 0.14 -0.16 5.26 3.86 -1.22 -1.96 115.15 121.17 3f72 h HIS 76 Ca -0.26 -0.05 -0.16 0.00 -1.16 0.00 0.00 60.37 58.75 3f72 h HIS 76 Cb 2.13 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 30.57 3f72 h HIS 76 CO 0.13 0.61 -0.58 -0.07 0.86 0.00 0.00 177.93 178.88 3f72 h LEU 77 N 0.09 0.56 -0.08 2.43 3.38 -0.87 -1.19 115.31 119.62 3f72 h LEU 77 Ca 0.00 -0.31 0.03 0.00 0.09 0.00 0.00 57.88 57.69 3f72 h LEU 77 Cb 0.95 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.50 3f72 h LEU 77 CO 0.07 1.02 -0.13 -0.09 0.09 0.00 0.00 178.44 179.40 3f72 h ARG 78 N 0.38 -0.18 -0.42 1.13 1.12 -1.08 0.85 114.38 116.18 3f72 h ARG 78 Ca 0.00 0.01 0.04 0.00 -1.11 0.00 0.00 59.98 58.92 3f72 h ARG 78 Cb 1.12 0.04 -0.04 0.00 -0.01 0.00 0.00 29.97 31.08 3f72 h ARG 78 CO 0.11 -0.12 0.19 1.15 -3.11 0.00 0.00 179.97 178.18 3f72 h THR 79 N -0.19 0.94 -0.57 0.20 2.02 -1.18 0.32 112.91 114.45 3f72 h THR 79 Ca 0.07 -0.13 -0.03 0.00 0.77 0.00 0.00 66.41 67.09 3f72 h THR 79 Cb 0.29 0.52 -0.03 0.00 -1.74 0.00 0.00 68.15 67.20 3f72 h THR 79 CO -0.19 0.07 0.23 -0.07 0.37 0.00 0.00 175.52 175.93 3f72 h LEU 80 N 0.38 0.78 -0.44 2.58 3.38 -1.12 -3.16 115.31 117.71 3f72 h LEU 80 Ca 0.18 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 3f72 h LEU 80 Cb 0.12 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3f72 h LEU 80 CO -0.15 0.73 -0.08 0.22 0.09 0.00 0.00 178.44 179.25 3f72 h TYR 81 N 0.78 0.94 -0.18 1.13 3.20 -0.27 0.10 116.97 122.67 3f72 h TYR 81 Ca 0.19 -0.19 0.05 0.00 3.14 0.00 0.00 58.73 61.92 3f72 h TYR 81 Cb 0.19 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 3f72 h TYR 81 CO 0.01 0.93 0.27 0.87 -1.64 0.00 0.00 178.16 178.59 3f72 h LYS 82 N 0.67 0.00 -0.43 1.82 1.57 -0.93 -0.38 116.57 118.90 3f72 h LYS 82 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3f72 h LYS 82 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.92 3f72 h LYS 82 CO 0.04 0.00 0.00 1.04 -0.57 0.00 0.00 179.45 179.96 3f72 n GLN 83 N -3.53 2.43 -0.59 3.15 1.13 -1.04 -4.91 117.38 114.01 3f72 n GLN 83 Ca 0.02 -2.17 0.00 0.00 -1.94 0.00 0.00 57.00 52.91 3f72 n GLN 83 Cb 0.38 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.23 3f72 n GLN 83 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3f72 n GLY 84 N 1.48 0.78 0.08 1.08 0.00 -0.15 -4.89 105.19 103.57 3f72 n GLY 84 Ca 0.20 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.11 3f72 n GLY 84 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3f72 h VAL 85 N 0.00 1.54 -3.19 1.61 2.07 -1.00 -3.39 116.25 113.89 3f72 h VAL 85 Ca 0.00 -3.22 -0.47 0.00 0.82 0.00 0.00 66.70 63.83 3f72 h VAL 85 Cb 0.00 2.84 -0.17 0.00 -1.52 0.00 0.00 31.29 32.44 3f72 h VAL 85 CO 0.00 0.91 -0.76 0.68 0.02 0.00 0.00 177.57 178.42 3f72 s VAL 86 N -2.68 1.70 0.25 2.57 -7.23 -1.20 -0.12 120.40 113.68 3f72 s VAL 86 Ca -0.02 -1.99 0.10 0.00 -1.81 0.00 0.00 61.98 58.26 3f72 s VAL 86 Cb 0.09 -1.86 -0.04 0.00 0.56 0.00 0.00 36.38 35.12 3f72 s VAL 86 CO 0.84 -0.44 -0.09 0.20 -0.31 0.00 0.00 175.10 175.30 3f72 s ASN 87 N -2.87 4.14 0.17 4.85 0.01 -0.88 -4.37 114.94 115.98 3f72 s ASN 87 Ca 0.17 -0.76 0.01 0.00 -0.71 0.00 0.00 52.86 51.58 3f72 s ASN 87 Cb -0.04 -0.63 -0.05 0.00 0.41 0.00 0.00 41.25 40.95 3f72 s ASN 87 CO 0.06 0.04 0.01 0.72 -1.51 0.00 0.00 177.10 176.42 3f72 s PHE 88 N -2.22 1.19 -0.13 2.20 -0.12 -1.26 -1.96 117.98 115.68 3f72 s PHE 88 Ca 0.29 -1.05 0.01 0.00 -0.05 0.00 0.00 56.93 56.14 3f72 s PHE 88 Cb -0.07 -0.68 -0.00 0.00 -0.63 0.00 0.00 43.02 41.64 3f72 s PHE 88 CO 0.17 -0.25 -0.17 -0.98 -0.05 0.00 0.00 175.22 173.94 3f72 s ARG 89 N -3.93 3.21 0.67 1.99 1.70 -0.94 -4.99 118.95 116.65 3f72 s ARG 89 Ca 0.25 -0.77 -0.15 0.00 -0.47 0.00 0.00 55.73 54.59 3f72 s ARG 89 Cb 0.06 -2.53 0.00 0.00 -0.57 0.00 0.00 34.95 31.92 3f72 s ARG 89 CO 0.04 0.12 1.11 0.21 -1.08 0.00 0.00 175.30 175.70 3f72 s LYS 90 N 0.54 2.77 -0.12 3.89 2.47 -1.26 -1.83 119.74 126.20 3f72 s LYS 90 Ca -0.11 1.37 0.18 0.00 -1.56 0.00 0.00 55.97 55.84 3f72 s LYS 90 Cb -0.16 -1.95 0.29 0.00 -1.46 0.00 0.00 37.83 34.54 3f72 s LYS 90 CO 0.04 -1.27 1.16 0.39 0.16 0.00 0.00 175.35 175.83 3f72 n GLU 91 N -2.50 1.50 -1.62 4.03 -0.58 1.56 -4.87 120.64 118.16 3f72 n GLU 91 Ca 0.10 -2.52 -0.00 0.00 -0.42 0.00 0.00 57.16 54.32 3f72 n GLU 91 Cb 0.52 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.90 3f72 n GLU 91 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3f72 n GLY 92 N -1.31 -1.58 4.50 0.62 0.00 -1.26 -4.63 105.19 101.54 3f72 n GLY 92 Ca 0.15 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3f72 n GLY 92 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3f72 n LYS 93 N -0.28 0.00 -2.95 1.61 0.00 -1.26 -4.87 118.16 110.41 3f72 n LYS 93 Ca 0.01 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 57.89 3f72 n LYS 93 Cb 0.03 -2.64 -0.05 0.00 -0.00 0.00 0.00 35.03 32.37 3f72 n LYS 93 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.40 176.92 3f72 s LEU 94 N 0.00 4.32 -0.31 -5.58 -0.00 -1.26 -5.05 118.68 110.80 3f72 s LEU 94 Ca 0.00 -0.36 -0.24 0.00 -0.00 0.00 0.00 54.13 53.53 3f72 s LEU 94 Cb 0.00 -2.81 0.00 0.00 -0.00 0.00 0.00 46.19 43.38 3f72 s LEU 94 CO 0.00 -1.04 0.81 0.00 -0.00 0.00 0.00 176.35 176.12 3f72 s ALA 95 N 3.45 3.52 -0.40 1.48 0.00 -1.26 0.45 121.76 129.00 3f72 s ALA 95 Ca 0.27 -0.40 -0.05 0.00 0.00 0.00 0.00 51.96 51.79 3f72 s ALA 95 Cb -0.14 -3.34 0.09 0.00 0.00 0.00 0.00 23.12 19.74 3f72 s ALA 95 CO 0.19 -1.23 0.21 -0.51 0.00 0.00 0.00 175.76 174.41 3f72 s LEU 96 N 3.02 5.08 0.32 0.00 1.43 -0.76 -3.38 118.68 124.39 3f72 s LEU 96 Ca 0.33 -1.76 -0.27 0.00 -1.03 0.00 0.00 54.13 51.40 3f72 s LEU 96 Cb -0.14 -1.88 -0.09 0.00 0.03 0.00 0.00 46.19 44.11 3f72 s LEU 96 CO 0.13 -0.52 1.00 -0.31 0.23 0.00 0.00 176.35 176.88 3f72 s TYR 97 N 1.26 3.61 0.16 0.29 2.02 0.37 -2.23 117.35 122.84 3f72 s TYR 97 Ca 0.05 1.76 -0.01 0.00 -0.37 0.00 0.00 57.07 58.49 3f72 s TYR 97 Cb -0.23 -3.05 -0.04 0.00 -0.40 0.00 0.00 41.96 38.24 3f72 s TYR 97 CO -0.02 -0.10 0.10 -1.54 -1.57 0.00 0.00 175.55 172.43 3f72 s SER 98 N -1.40 0.22 0.69 2.29 1.04 -0.83 -1.45 113.70 114.27 3f72 s SER 98 Ca 0.50 -1.27 -0.17 0.00 0.48 0.00 0.00 55.95 55.49 3f72 s SER 98 Cb -0.23 0.34 -0.00 0.00 0.10 0.00 0.00 66.02 66.23 3f72 s SER 98 CO 0.29 -0.79 1.05 0.18 0.98 0.00 0.00 173.24 174.96 3f72 n LEU 99 N -0.18 4.18 0.00 2.42 4.77 -1.26 -2.08 117.00 124.85 3f72 n LEU 99 Ca -0.02 0.72 0.12 0.00 -0.03 0.00 0.00 56.01 56.80 3f72 n LEU 99 Cb 0.65 -1.44 0.53 0.00 -2.33 0.00 0.00 43.42 40.82 3f72 n LEU 99 CO 0.31 -1.76 0.89 0.61 -1.33 0.00 0.00 177.39 176.12 3f72 n GLY 100 N 1.06 -1.33 0.00 -0.72 0.00 0.82 -4.42 105.19 100.60 3f72 n GLY 100 Ca 0.14 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3f72 n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f72 n GLY 101 N 1.02 2.04 0.27 -0.02 0.00 -1.26 -4.93 105.19 102.32 3f72 n GLY 101 Ca 0.06 -0.83 0.05 0.00 0.00 0.00 0.00 46.02 45.31 3f72 n GLY 101 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3f72 h GLU 102 N 0.00 0.24 -0.33 1.61 4.39 -2.00 -1.84 114.58 116.64 3f72 h GLU 102 Ca 0.00 -0.02 0.10 0.00 0.34 0.00 0.00 59.36 59.78 3f72 h GLU 102 Cb 0.00 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 3f72 h GLU 102 CO 0.00 0.20 0.30 0.00 -1.16 0.00 0.00 179.01 178.35 3f72 h ALA 103 N 1.84 2.12 0.08 3.43 0.00 -1.99 -0.60 119.26 124.14 3f72 h ALA 103 Ca 0.06 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.66 3f72 h ALA 103 Cb 0.05 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3f72 h ALA 103 CO -0.01 -0.47 -1.57 0.82 0.00 0.00 0.00 179.25 178.02 3f72 h ILE 104 N 0.00 1.08 -0.44 0.00 2.04 -1.71 -1.84 117.51 116.64 3f72 h ILE 104 Ca 0.16 -2.78 0.07 0.00 1.00 0.00 0.00 64.86 63.31 3f72 h ILE 104 Cb 0.75 2.67 -0.06 0.00 -0.74 0.00 0.00 36.82 39.44 3f72 h ILE 104 CO -0.00 0.77 0.10 -0.09 0.00 0.00 0.00 178.15 178.93 3f72 h ARG 105 N 0.05 0.23 -0.30 2.37 2.43 -1.17 -3.02 114.38 114.97 3f72 h ARG 105 Ca -0.25 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 58.81 3f72 h ARG 105 Cb 2.00 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 31.48 3f72 h ARG 105 CO 0.13 0.15 -0.20 1.96 -1.51 0.00 0.00 179.97 180.50 3f72 h GLN 106 N 0.23 0.54 -0.47 0.20 4.20 -1.21 -0.70 115.11 117.91 3f72 h GLN 106 Ca 0.21 -0.19 -0.10 0.00 0.06 0.00 0.00 58.65 58.63 3f72 h GLN 106 Cb 0.26 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 3f72 h GLN 106 CO -0.27 0.71 -0.12 0.82 -0.67 0.00 0.00 178.83 179.30 3f72 h ILE 107 N 0.49 1.26 0.11 2.54 2.04 -1.24 0.30 117.51 123.01 3f72 h ILE 107 Ca 0.08 -1.22 -0.01 0.00 1.00 0.00 0.00 64.86 64.71 3f72 h ILE 107 Cb 0.62 1.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.73 3f72 h ILE 107 CO 0.04 0.42 -0.05 -0.03 0.00 0.00 0.00 178.15 178.53 3f72 h MET 108 N 0.77 -0.15 -0.20 2.37 4.05 -1.39 -1.57 114.93 118.83 3f72 h MET 108 Ca 0.13 0.01 0.02 0.00 -0.28 0.00 0.00 59.70 59.57 3f72 h MET 108 Cb 0.63 0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.45 3f72 h MET 108 CO 0.04 0.34 0.08 0.52 0.23 0.00 0.00 176.91 178.12 3f72 h MET 109 N -0.76 0.17 -0.87 0.39 2.86 -1.13 0.16 114.93 115.75 3f72 h MET 109 Ca -0.02 -0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.63 3f72 h MET 109 Cb 0.55 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 32.13 3f72 h MET 109 CO 0.03 0.11 0.57 0.82 1.06 0.00 0.00 176.91 179.50 3f72 h ILE 110 N 0.18 1.20 -0.67 -1.22 1.08 -0.45 -1.77 117.51 115.86 3f72 h ILE 110 Ca 0.08 -0.40 -0.08 0.00 -0.39 0.00 0.00 64.86 64.08 3f72 h ILE 110 Cb 0.04 -0.06 -0.03 0.00 -3.07 0.00 0.00 36.82 33.71 3f72 h ILE 110 CO -0.07 0.21 0.11 0.00 -0.69 0.00 0.00 178.15 177.71 3f72 h ALA 111 N 1.33 0.94 -0.91 1.87 0.00 -0.95 0.18 119.26 121.73 3f72 h ALA 111 Ca 0.33 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3f72 h ALA 111 Cb -0.10 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.39 3f72 h ALA 111 CO -0.08 0.66 0.55 -0.07 0.00 0.00 0.00 179.25 180.30 3f72 h LEU 112 N 1.02 1.09 0.15 0.00 3.38 -0.53 -2.17 115.31 118.25 3f72 h LEU 112 Ca 0.20 -0.07 -0.30 0.00 0.09 0.00 0.00 57.88 57.80 3f72 h LEU 112 Cb 0.43 -0.28 0.03 0.00 0.09 0.00 0.00 40.66 40.93 3f72 h LEU 112 CO 0.01 0.84 -1.28 0.00 0.09 0.00 0.00 178.44 178.11 3f72 h ALA 113 N 1.30 -0.04 -0.79 1.53 0.00 -0.93 -2.44 119.26 117.89 3f72 h ALA 113 Ca 0.33 -0.78 0.15 0.00 0.00 0.00 0.00 54.91 54.60 3f72 h ALA 113 Cb -0.05 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 3f72 h ALA 113 CO -0.06 0.67 0.52 1.25 0.00 0.00 0.00 179.25 181.64 3f72 h HIS 114 N 0.24 0.55 0.00 0.00 -0.00 -0.70 -1.89 115.15 113.34 3f72 h HIS 114 Ca -0.20 0.02 -0.07 0.00 -0.00 0.00 0.00 60.37 60.12 3f72 h HIS 114 Cb 1.95 -0.17 -0.01 0.00 -0.00 0.00 0.00 27.41 29.18 3f72 h HIS 114 CO 0.12 0.20 -0.32 0.87 -0.00 0.00 0.00 177.93 178.81 3f72 h LYS 115 N 0.46 0.00 -2.18 5.26 1.79 -1.17 -3.02 116.57 117.71 3f72 h LYS 115 Ca 0.39 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.73 3f72 h LYS 115 Cb 0.85 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.45 3f72 h LYS 115 CO -0.14 0.32 -0.17 1.63 -1.08 0.00 0.00 179.45 180.01 3f72 n LYS 116 N -3.58 1.46 0.00 3.15 4.76 -0.71 -5.11 118.16 118.13 3f72 n LYS 116 Ca -0.01 -0.67 0.00 0.00 -2.87 0.00 0.00 58.31 54.77 3f72 n LYS 116 Cb 0.45 -1.77 0.00 0.00 -1.84 0.00 0.00 35.03 31.87 3f72 n LYS 116 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18