#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df3 n ILE 20 N 0.00 -0.11 -3.32 6.31 -5.35 -1.26 -4.47 119.36 111.16 3df3 n ILE 20 Ca 0.00 -1.92 0.03 0.00 -0.27 0.00 0.00 62.75 60.59 3df3 n ILE 20 Cb 0.00 0.94 -0.04 0.00 -1.74 0.00 0.00 39.64 38.79 3df3 n ILE 20 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3df3 s ASP 21 N -1.61 -0.18 0.55 7.28 2.15 -1.26 -5.03 116.67 118.56 3df3 s ASP 21 Ca 0.32 0.25 0.24 0.00 0.43 0.00 0.00 52.55 53.79 3df3 s ASP 21 Cb 0.22 1.18 1.44 0.00 -0.30 0.00 0.00 42.92 45.47 3df3 s ASP 21 CO -0.22 -0.04 2.07 0.10 -0.17 0.00 0.00 175.17 176.91 3df3 h TYR 22 N 6.78 0.00 -0.52 -5.34 -0.00 -1.96 -1.17 116.97 114.75 3df3 h TYR 22 Ca -0.16 0.00 -0.08 0.00 0.00 0.00 0.00 58.73 58.49 3df3 h TYR 22 Cb 1.13 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.84 3df3 h TYR 22 CO 0.21 0.00 0.01 1.57 -0.00 0.00 0.00 178.16 179.95 3df3 h LYS 23 N 0.00 0.87 -3.17 0.10 5.09 -1.96 -3.25 116.57 114.26 3df3 h LYS 23 Ca 0.14 -0.24 -0.25 0.00 0.09 0.00 0.00 60.65 60.38 3df3 h LYS 23 Cb 0.59 -0.10 -0.00 0.00 0.10 0.00 0.00 32.23 32.82 3df3 h LYS 23 CO -0.00 0.87 1.61 -3.47 -2.09 0.00 0.00 179.45 176.36 3df3 n ASP 24 N -4.21 3.73 0.22 7.07 -0.08 -0.44 -4.57 116.55 118.28 3df3 n ASP 24 Ca 0.03 -2.18 0.09 0.00 -1.51 0.00 0.00 54.79 51.22 3df3 n ASP 24 Cb 0.31 -0.91 0.50 0.00 2.34 0.00 0.00 41.12 43.36 3df3 n ASP 24 CO 0.00 0.00 0.00 0.16 0.12 0.00 0.00 177.20 177.48 3df3 h ILE 25 N 3.17 0.00 0.25 5.18 3.07 -1.78 -2.15 117.51 125.25 3df3 h ILE 25 Ca 0.32 0.00 -0.01 0.00 1.55 0.00 0.00 64.86 66.71 3df3 h ILE 25 Cb 0.35 0.41 0.00 0.00 -0.27 0.00 0.00 36.82 37.31 3df3 h ILE 25 CO 1.04 0.00 -0.12 0.00 -1.05 0.00 0.00 178.15 178.02 3df3 h ALA 26 N 1.25 -0.34 -0.98 0.16 0.00 -1.92 -3.09 119.26 114.34 3df3 h ALA 26 Ca 0.00 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.83 3df3 h ALA 26 Cb 0.62 0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.47 3df3 h ALA 26 CO 0.00 -0.35 0.63 1.15 0.00 0.00 0.00 179.25 180.68 3df3 h THR 27 N -1.02 1.06 -0.75 0.00 2.02 -1.79 -2.29 112.91 110.14 3df3 h THR 27 Ca -0.03 -0.39 -0.02 0.00 0.77 0.00 0.00 66.41 66.74 3df3 h THR 27 Cb 0.42 -0.17 -0.04 0.00 -1.74 0.00 0.00 68.15 66.63 3df3 h THR 27 CO 0.06 0.21 0.39 -0.07 0.37 0.00 0.00 175.52 176.47 3df3 h LEU 28 N 1.12 0.94 -0.19 2.58 3.38 -1.64 -1.67 115.31 119.83 3df3 h LEU 28 Ca 0.43 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.32 3df3 h LEU 28 Cb 0.21 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3df3 h LEU 28 CO -0.19 0.77 0.09 0.29 0.09 0.00 0.00 178.44 179.49 3df3 n LYS 29 N -4.34 0.02 0.02 1.13 5.02 -0.86 0.34 118.16 119.48 3df3 n LYS 29 Ca 0.07 0.45 -0.08 0.00 -2.02 0.00 0.00 58.31 56.74 3df3 n LYS 29 Cb 0.11 -1.65 -0.13 0.00 -0.02 0.00 0.00 35.03 33.34 3df3 n LYS 29 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 3df3 h ASN 30 N 0.00 0.00 -0.88 4.39 4.21 -1.40 -3.33 115.58 118.57 3df3 h ASN 30 Ca 0.00 0.00 -0.59 0.00 1.21 0.00 0.00 56.30 56.92 3df3 h ASN 30 Cb 0.18 0.00 -0.32 0.00 -1.12 0.00 0.00 38.32 37.06 3df3 h ASN 30 CO 0.00 0.99 0.29 -1.22 -1.29 0.00 0.00 177.43 176.20 3df3 n TYR 31 N -3.18 2.93 -3.67 1.19 4.02 0.15 -4.90 117.16 113.70 3df3 n TYR 31 Ca -0.09 -2.62 -0.13 0.00 -0.01 0.00 0.00 57.90 55.06 3df3 n TYR 31 Cb 1.00 -1.02 -0.13 0.00 -0.02 0.00 0.00 39.34 39.17 3df3 n TYR 31 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3df3 s ILE 32 N -4.55 -0.40 0.00 -0.72 1.01 -1.15 -1.95 121.20 113.44 3df3 s ILE 32 Ca 0.59 0.25 0.00 0.00 0.00 0.00 0.00 60.65 61.49 3df3 s ILE 32 Cb 0.47 -0.47 0.00 0.00 0.01 0.00 0.00 42.46 42.47 3df3 s ILE 32 CO 0.01 0.10 0.00 0.35 0.00 0.00 0.00 174.94 175.41 3df3 n THR 33 N 5.22 0.00 0.09 2.92 -2.24 -0.74 -4.90 114.28 114.63 3df3 n THR 33 Ca -0.09 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.52 3df3 n THR 33 Cb 0.50 -0.78 -0.14 0.00 -2.10 0.00 0.00 70.33 67.81 3df3 n THR 33 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3df3 h GLU 34 N 0.00 0.30 0.00 -0.78 3.07 -1.99 -3.24 114.58 111.94 3df3 h GLU 34 Ca 0.00 -0.52 0.00 0.00 -0.50 0.00 0.00 59.36 58.34 3df3 h GLU 34 Cb 0.00 0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.10 3df3 h GLU 34 CO 0.00 1.21 0.00 0.43 -1.40 0.00 0.00 179.01 179.25 3df3 n SER 35 N -3.53 0.00 0.00 1.42 7.64 -1.26 -3.61 113.62 114.28 3df3 n SER 35 Ca -0.13 -1.07 0.00 0.00 1.01 0.00 0.00 58.87 58.67 3df3 n SER 35 Cb 1.05 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.25 3df3 n SER 35 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3df3 n GLY 36 N 0.14 2.92 3.77 0.23 0.00 -1.22 -3.62 105.19 107.41 3df3 n GLY 36 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 3df3 n GLY 36 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3df3 s LYS 37 N -0.00 3.92 0.56 1.61 -2.85 -1.26 -4.64 119.74 117.08 3df3 s LYS 37 Ca 0.00 2.27 -0.18 0.00 -1.00 0.00 0.00 55.97 57.06 3df3 s LYS 37 Cb 0.00 -2.76 -0.05 0.00 -2.06 0.00 0.00 37.83 32.96 3df3 s LYS 37 CO 0.00 -0.58 1.10 0.96 0.10 0.00 0.00 175.35 176.94 3df3 s ILE 38 N -1.23 3.36 0.16 3.79 -0.00 -1.26 -1.79 121.20 124.23 3df3 s ILE 38 Ca 0.57 0.78 -0.27 0.00 -0.00 0.00 0.00 60.65 61.73 3df3 s ILE 38 Cb -0.40 -3.29 -0.08 0.00 -0.00 0.00 0.00 42.46 38.69 3df3 s ILE 38 CO 0.52 -0.25 0.83 0.68 -0.00 0.00 0.00 174.94 176.73 3df3 s VAL 39 N -2.00 4.36 0.75 8.37 -7.23 -0.82 -4.85 120.40 118.98 3df3 s VAL 39 Ca 0.70 1.82 -0.15 0.00 -1.81 0.00 0.00 61.98 62.53 3df3 s VAL 39 Cb -0.21 -4.20 0.00 0.00 0.56 0.00 0.00 36.38 32.53 3df3 s VAL 39 CO 0.30 0.48 0.78 -2.65 -0.31 0.00 0.00 175.10 173.70 3df3 n PRO 40 N 1.86 0.31 0.32 4.82 -0.02 -1.26 -4.87 135.00 136.16 3df3 n PRO 40 Ca -0.04 0.16 0.21 0.00 -2.02 0.00 0.00 63.50 61.81 3df3 n PRO 40 Cb 0.49 -2.07 1.03 0.00 -0.02 0.00 0.00 33.50 32.92 3df3 n PRO 40 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3df3 h SER 41 N -0.51 0.00 0.06 2.55 4.64 -1.96 -3.07 113.55 115.27 3df3 h SER 41 Ca -0.46 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3df3 h SER 41 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 3df3 h SER 41 CO 0.44 0.00 -0.03 0.08 -0.87 0.00 0.00 176.83 176.45 3df3 h ARG 42 N 0.00 -0.08 -0.40 4.77 0.11 -1.89 0.19 114.38 117.07 3df3 h ARG 42 Ca -0.00 0.01 0.12 0.00 0.10 0.00 0.00 59.98 60.20 3df3 h ARG 42 Cb 0.19 0.02 -0.02 0.00 1.11 0.00 0.00 29.97 31.27 3df3 h ARG 42 CO 0.00 0.36 0.50 0.82 0.10 0.00 0.00 179.97 181.75 3df3 h ILE 43 N -0.97 0.29 0.00 0.08 2.04 -1.90 0.52 117.51 117.57 3df3 h ILE 43 Ca -0.01 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 65.72 3df3 h ILE 43 Cb 0.47 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 3df3 h ILE 43 CO 0.01 0.00 -2.03 0.41 0.00 0.00 0.00 178.15 176.55 3df3 n THR 44 N -3.56 0.57 -1.75 -0.27 -1.04 -1.17 -4.98 114.28 102.08 3df3 n THR 44 Ca 0.07 -0.63 -0.16 0.00 -2.04 0.00 0.00 64.05 61.29 3df3 n THR 44 Cb 0.67 -0.23 -0.05 0.00 -1.82 0.00 0.00 70.33 68.90 3df3 n THR 44 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3df3 n GLY 45 N 1.42 0.94 3.92 3.41 0.00 0.18 -4.99 105.19 110.08 3df3 n GLY 45 Ca -0.13 -0.26 -0.26 0.00 0.00 0.00 0.00 46.02 45.37 3df3 n GLY 45 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3df3 s THR 46 N -2.66 4.55 0.40 2.61 -1.32 -0.84 -5.01 115.64 113.37 3df3 s THR 46 Ca 0.00 -0.03 -0.26 0.00 -1.21 0.00 0.00 61.69 60.19 3df3 s THR 46 Cb 0.00 -3.72 -0.09 0.00 -1.51 0.00 0.00 72.50 67.18 3df3 s THR 46 CO 0.00 -0.66 1.30 -0.13 -2.21 0.00 0.00 174.62 172.93 3df3 s ARG 47 N -4.71 4.00 0.25 7.08 0.52 -1.26 -4.81 118.95 120.02 3df3 s ARG 47 Ca 0.48 2.16 -0.04 0.00 -0.52 0.00 0.00 55.73 57.81 3df3 s ARG 47 Cb -0.10 -2.78 0.29 0.00 0.52 0.00 0.00 34.95 32.88 3df3 s ARG 47 CO 0.43 -0.47 1.81 0.00 0.02 0.00 0.00 175.30 177.08 3df3 h ALA 48 N 2.73 1.14 -0.87 2.13 0.00 -1.96 0.87 119.26 123.30 3df3 h ALA 48 Ca -0.50 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.28 3df3 h ALA 48 Cb 1.24 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.70 3df3 h ALA 48 CO 0.63 0.60 0.54 -0.22 0.00 0.00 0.00 179.25 180.80 3df3 h LYS 49 N 0.99 0.95 0.03 0.00 3.64 -2.01 -1.57 116.57 118.59 3df3 h LYS 49 Ca 0.23 -0.06 -0.26 0.00 -1.27 0.00 0.00 60.65 59.28 3df3 h LYS 49 Cb 0.24 -0.21 0.02 0.00 -0.41 0.00 0.00 32.23 31.87 3df3 h LYS 49 CO -0.01 0.63 -1.05 1.88 -2.27 0.00 0.00 179.45 178.62 3df3 h TYR 50 N 0.98 1.01 -0.80 1.91 0.99 -1.82 -3.29 116.97 115.95 3df3 h TYR 50 Ca 0.38 -0.57 0.14 0.00 2.00 0.00 0.00 58.73 60.68 3df3 h TYR 50 Cb 0.18 -0.11 -0.09 0.00 1.00 0.00 0.00 36.73 37.71 3df3 h TYR 50 CO -0.03 1.40 0.39 0.37 -0.00 0.00 0.00 178.16 180.29 3df3 h GLN 51 N 0.33 0.55 0.47 4.88 5.75 -0.28 0.13 115.11 126.94 3df3 h GLN 51 Ca -0.14 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.31 3df3 h GLN 51 Cb 1.71 -0.12 0.00 0.00 1.07 0.00 0.00 27.48 30.14 3df3 h GLN 51 CO 0.21 0.37 -0.23 0.00 -2.65 0.00 0.00 178.83 176.52 3df3 h ARG 52 N 0.57 -0.61 -0.76 1.69 3.08 -1.37 0.76 114.38 117.73 3df3 h ARG 52 Ca 0.43 0.04 0.13 0.00 0.07 0.00 0.00 59.98 60.65 3df3 h ARG 52 Cb 0.60 0.14 -0.05 0.00 0.08 0.00 0.00 29.97 30.74 3df3 h ARG 52 CO -0.36 -0.41 0.50 0.37 -1.07 0.00 0.00 179.97 179.01 3df3 h GLN 53 N -0.64 0.53 0.38 0.04 4.15 -1.60 -1.78 115.11 116.20 3df3 h GLN 53 Ca -0.06 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.30 3df3 h GLN 53 Cb 0.49 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.06 3df3 h GLN 53 CO 0.10 0.35 -0.18 1.25 -1.93 0.00 0.00 178.83 178.42 3df3 h LEU 54 N 0.55 -0.43 -0.93 -2.39 6.46 -0.55 -3.12 115.31 114.90 3df3 h LEU 54 Ca 0.37 0.01 0.27 0.00 -0.12 0.00 0.00 57.88 58.41 3df3 h LEU 54 Cb 0.67 0.11 -0.15 0.00 -0.73 0.00 0.00 40.66 40.56 3df3 h LEU 54 CO -0.13 -0.19 0.29 0.00 -0.62 0.00 0.00 178.44 177.78 3df3 h ALA 55 N -1.54 1.46 -0.47 1.25 0.00 0.80 0.56 119.26 121.32 3df3 h ALA 55 Ca -0.05 0.24 0.03 0.00 0.00 0.00 0.00 54.91 55.13 3df3 h ALA 55 Cb 0.39 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 3df3 h ALA 55 CO 0.09 -0.54 0.31 0.00 0.00 0.00 0.00 179.25 179.11 3df3 h ARG 56 N 0.18 0.49 -0.60 0.00 3.08 -1.38 -1.73 114.38 114.41 3df3 h ARG 56 Ca 0.62 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.64 3df3 h ARG 56 Cb 1.32 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 31.23 3df3 h ARG 56 CO -0.69 0.33 0.40 0.00 -1.07 0.00 0.00 179.97 178.93 3df3 h ALA 57 N 1.73 0.77 -0.86 0.04 0.00 0.20 -1.89 119.26 119.25 3df3 h ALA 57 Ca 0.19 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.13 3df3 h ALA 57 Cb 0.13 -0.25 -0.07 0.00 0.00 0.00 0.00 17.79 17.61 3df3 h ALA 57 CO -0.05 0.21 0.52 0.82 0.00 0.00 0.00 179.25 180.75 3df3 h ILE 58 N 0.82 0.99 0.31 0.00 5.03 -1.24 0.30 117.51 123.73 3df3 h ILE 58 Ca 0.22 -0.31 -0.02 0.00 -0.12 0.00 0.00 64.86 64.63 3df3 h ILE 58 Cb -0.09 -0.01 0.00 0.00 -3.03 0.00 0.00 36.82 33.70 3df3 h ILE 58 CO -0.05 0.17 -0.15 0.11 -0.68 0.00 0.00 178.15 177.55 3df3 h LYS 59 N 0.92 -0.40 -0.97 2.37 1.57 -1.21 0.13 116.57 118.97 3df3 h LYS 59 Ca 0.39 0.03 0.25 0.00 -1.87 0.00 0.00 60.65 59.45 3df3 h LYS 59 Cb 0.25 0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.59 3df3 h LYS 59 CO -0.20 -0.27 0.66 0.07 -0.57 0.00 0.00 179.45 179.13 3df3 h ARG 60 N -0.43 0.25 -0.32 3.15 0.11 -1.27 0.15 114.38 116.02 3df3 h ARG 60 Ca -0.04 -0.02 -0.13 0.00 0.10 0.00 0.00 59.98 59.89 3df3 h ARG 60 Cb 0.32 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 31.34 3df3 h ARG 60 CO 0.07 0.17 -0.30 0.00 0.10 0.00 0.00 179.97 180.01 3df3 h ALA 61 N 1.58 0.47 0.00 0.08 0.00 -0.78 -2.77 119.26 117.85 3df3 h ALA 61 Ca 0.50 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3df3 h ALA 61 Cb 1.51 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 3df3 h ALA 61 CO -0.15 0.50 -0.01 0.00 0.00 0.00 0.00 179.25 179.59 3df3 h ARG 62 N 0.54 0.00 -0.06 0.00 3.08 0.14 -0.39 114.38 117.69 3df3 h ARG 62 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3df3 h ARG 62 Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.92 3df3 h ARG 62 CO 0.08 0.01 0.00 0.66 -1.07 0.00 0.00 179.97 179.65 3df3 n TYR 63 N -3.64 0.07 -1.09 3.04 0.53 -0.91 -3.22 117.16 111.94 3df3 n TYR 63 Ca -0.03 -0.04 0.08 0.00 -1.02 0.00 0.00 57.90 56.89 3df3 n TYR 63 Cb 0.10 0.00 0.11 0.00 -1.03 0.00 0.00 39.34 38.51 3df3 n TYR 63 CO 0.00 0.00 0.00 1.28 -1.02 0.00 0.00 176.86 177.12 3df3 n LEU 64 N -0.17 1.98 -2.25 7.72 4.32 -0.19 -4.96 117.00 123.45 3df3 n LEU 64 Ca 0.18 -2.67 -0.15 0.00 -0.02 0.00 0.00 56.01 53.35 3df3 n LEU 64 Cb 0.24 -0.33 -0.02 0.00 -1.62 0.00 0.00 43.42 41.70 3df3 n LEU 64 CO 0.14 0.62 -0.18 -0.24 -1.22 0.00 0.00 177.39 176.51 3df3 n SER 65 N -1.14 -4.42 -0.18 -1.43 2.88 -1.19 -4.79 113.62 103.34 3df3 n SER 65 Ca 0.12 0.17 0.11 0.00 -1.33 0.00 0.00 58.87 57.95 3df3 n SER 65 Cb 0.61 -3.78 0.04 0.00 -0.75 0.00 0.00 64.21 60.33 3df3 n SER 65 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3df3 n LEU 66 N -2.71 1.22 -3.76 2.46 4.77 -1.02 -4.92 117.00 113.04 3df3 n LEU 66 Ca -0.17 -0.46 -0.13 0.00 -0.03 0.00 0.00 56.01 55.22 3df3 n LEU 66 Cb 0.61 -0.06 -0.08 0.00 -2.33 0.00 0.00 43.42 41.56 3df3 n LEU 66 CO 0.21 0.26 0.03 -0.76 -1.33 0.00 0.00 177.39 175.80 3df3 s LEU 67 N -2.78 0.84 0.04 2.23 1.43 -1.24 -4.92 118.68 114.28 3df3 s LEU 67 Ca 0.14 0.06 -0.27 0.00 -1.03 0.00 0.00 54.13 53.03 3df3 s LEU 67 Cb 0.17 1.29 -0.05 0.00 0.03 0.00 0.00 46.19 47.63 3df3 s LEU 67 CO 0.71 -0.47 0.86 -2.16 0.23 0.00 0.00 176.35 175.52 3df3 s PRO 68 N -1.44 4.56 0.18 1.29 0.04 -1.26 -4.49 135.00 133.88 3df3 s PRO 68 Ca -0.13 1.23 -0.10 0.00 0.04 0.00 0.00 61.00 62.04 3df3 s PRO 68 Cb -0.05 -3.40 0.08 0.00 0.04 0.00 0.00 34.50 31.18 3df3 s PRO 68 CO 0.04 0.16 1.70 1.88 0.04 0.00 0.00 177.00 180.82 3df3 h TYR 69 N 6.03 1.06 -3.50 0.56 -1.99 -1.89 -3.42 116.97 113.81 3df3 h TYR 69 Ca -0.43 -0.12 -0.21 0.00 2.00 0.00 0.00 58.73 59.97 3df3 h TYR 69 Cb 1.21 -0.30 -0.05 0.00 2.00 0.00 0.00 36.73 39.59 3df3 h TYR 69 CO 0.66 0.88 -0.12 0.25 -0.00 0.00 0.00 178.16 179.82 3df3 n THR 70 N -4.33 0.00 0.43 -2.88 -2.24 -1.25 -4.36 114.28 99.65 3df3 n THR 70 Ca 0.04 -1.32 0.13 0.00 -2.27 0.00 0.00 64.05 60.63 3df3 n THR 70 Cb 0.24 0.80 0.40 0.00 -2.10 0.00 0.00 70.33 69.67 3df3 n THR 70 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 3df3 h ASP 71 N 1.43 0.00 0.00 3.42 3.04 -1.62 -3.38 116.42 119.32 3df3 h ASP 71 Ca -0.20 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.59 3df3 h ASP 71 Cb 0.86 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.15 3df3 h ASP 71 CO 0.27 0.00 0.00 -1.14 -2.04 0.00 0.00 179.24 176.33 3df3 n ARG 72 N -2.59 0.00 0.00 4.15 0.63 -1.26 -5.08 116.66 112.51 3df3 n ARG 72 Ca 0.04 0.13 0.00 0.00 -0.92 0.00 0.00 57.85 57.09 3df3 n ARG 72 Cb 0.40 -0.51 0.00 0.00 0.45 0.00 0.00 32.46 32.80 3df3 n ARG 72 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84