#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i21 h ILE 20 N 0.00 0.00 -3.22 3.84 2.10 -2.02 -3.42 117.51 114.79 3i21 h ILE 20 Ca 0.00 -0.15 -0.18 0.00 1.08 0.00 0.00 64.86 65.62 3i21 h ILE 20 Cb 0.00 0.79 -0.26 0.00 -1.09 0.00 0.00 36.82 36.26 3i21 h ILE 20 CO 0.00 0.00 -0.48 -1.81 -1.08 0.00 0.00 178.15 174.78 3i21 s ASP 21 N -4.23 -0.22 0.00 2.19 1.01 -1.26 -5.01 116.67 109.15 3i21 s ASP 21 Ca 0.01 0.42 0.29 0.00 0.71 0.00 0.00 52.55 53.99 3i21 s ASP 21 Cb 0.08 0.42 1.33 0.00 1.01 0.00 0.00 42.92 45.77 3i21 s ASP 21 CO 0.32 -0.08 1.95 0.00 0.21 0.00 0.00 175.17 177.57 3i21 n TYR 22 N 3.03 0.00 1.15 4.23 0.18 -1.26 -3.25 117.16 121.24 3i21 n TYR 22 Ca -0.13 0.00 0.12 0.00 1.88 0.00 0.00 57.90 59.77 3i21 n TYR 22 Cb 0.58 -0.33 0.24 0.00 -0.38 0.00 0.00 39.34 39.45 3i21 n TYR 22 CO 0.00 0.00 0.00 0.36 -2.08 0.00 0.00 176.86 175.14 3i21 n LYS 23 N -1.30 0.88 -0.65 -3.48 2.85 -1.26 -4.20 118.16 111.00 3i21 n LYS 23 Ca 0.12 -0.61 -0.05 0.00 -1.05 0.00 0.00 58.31 56.72 3i21 n LYS 23 Cb 0.28 -1.49 -0.07 0.00 -0.65 0.00 0.00 35.03 33.10 3i21 n LYS 23 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 3i21 n ASP 24 N -0.53 4.72 0.00 -5.58 4.64 -1.20 -4.67 116.55 113.92 3i21 n ASP 24 Ca 0.11 -2.31 0.01 0.00 -1.38 0.00 0.00 54.79 51.21 3i21 n ASP 24 Cb 0.38 -1.12 0.04 0.00 -1.04 0.00 0.00 41.12 39.38 3i21 n ASP 24 CO 0.00 0.00 0.00 2.30 -0.82 0.00 0.00 177.20 178.68 3i21 n ILE 25 N 2.01 0.00 0.07 5.18 -5.35 -1.26 -0.90 119.36 119.11 3i21 n ILE 25 Ca 0.17 0.00 -0.13 0.00 -0.27 0.00 0.00 62.75 62.52 3i21 n ILE 25 Cb 0.61 -0.74 -0.05 0.00 -1.74 0.00 0.00 39.64 37.73 3i21 n ILE 25 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3i21 h ALA 26 N 1.71 0.36 0.06 -1.28 0.00 -1.95 -3.34 119.26 114.82 3i21 h ALA 26 Ca 0.00 -0.72 -0.37 0.00 0.00 0.00 0.00 54.91 53.82 3i21 h ALA 26 Cb 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3i21 h ALA 26 CO 0.00 0.83 -2.21 0.25 0.00 0.00 0.00 179.25 178.12 3i21 n THR 27 N -3.73 1.63 0.28 0.00 -2.24 -0.08 -4.30 114.28 105.84 3i21 n THR 27 Ca -0.07 -0.64 0.18 0.00 -2.27 0.00 0.00 64.05 61.25 3i21 n THR 27 Cb 0.84 -1.48 0.96 0.00 -2.10 0.00 0.00 70.33 68.55 3i21 n THR 27 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3i21 h LEU 28 N 0.03 0.00 -0.30 3.22 4.07 -1.72 0.31 115.31 120.93 3i21 h LEU 28 Ca -0.49 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.47 3i21 h LEU 28 Cb 1.99 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.73 3i21 h LEU 28 CO 0.01 0.00 -0.03 0.07 -1.08 0.00 0.00 178.44 177.41 3i21 h LYS 29 N 0.00 0.00 0.00 1.13 2.10 -1.75 -2.89 116.57 115.16 3i21 h LYS 29 Ca 0.03 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.68 3i21 h LYS 29 Cb 0.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.60 3i21 h LYS 29 CO -0.00 0.03 0.00 -0.97 -2.00 0.00 0.00 179.45 176.51 3i21 h ASN 30 N 0.00 0.00 -0.23 7.07 -1.24 -0.58 -3.24 115.58 117.37 3i21 h ASN 30 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 3i21 h ASN 30 Cb 0.92 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.97 3i21 h ASN 30 CO 0.00 0.00 0.00 -1.22 -1.29 0.00 0.00 177.43 174.92 3i21 n TYR 31 N -2.85 0.57 -4.31 0.67 4.02 -1.09 -4.98 117.16 109.19 3i21 n TYR 31 Ca 0.00 -0.73 -0.17 0.00 -0.01 0.00 0.00 57.90 56.99 3i21 n TYR 31 Cb 0.24 -0.17 -0.10 0.00 -0.02 0.00 0.00 39.34 39.29 3i21 n TYR 31 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 176.86 176.81 3i21 s ILE 32 N -2.06 1.54 0.58 -0.72 -5.25 -1.22 -1.86 121.20 112.22 3i21 s ILE 32 Ca 0.30 -2.09 -0.08 0.00 -0.99 0.00 0.00 60.65 57.79 3i21 s ILE 32 Cb 0.23 -1.91 -0.02 0.00 2.95 0.00 0.00 42.46 43.70 3i21 s ILE 32 CO 0.09 -0.59 0.94 0.42 -1.79 0.00 0.00 174.94 174.01 3i21 s THR 33 N -2.89 4.38 -0.89 8.37 -4.23 0.18 -4.84 115.64 115.73 3i21 s THR 33 Ca 0.19 0.44 0.00 0.00 -1.18 0.00 0.00 61.69 61.14 3i21 s THR 33 Cb -0.01 -3.73 0.00 0.00 1.34 0.00 0.00 72.50 70.10 3i21 s THR 33 CO 0.05 -0.85 0.42 -0.62 -0.54 0.00 0.00 174.62 173.08 3i21 n GLU 34 N -2.61 0.76 0.00 3.99 -0.58 -1.26 -0.65 120.64 120.29 3i21 n GLU 34 Ca 0.04 0.00 0.01 0.00 -0.42 0.00 0.00 57.16 56.79 3i21 n GLU 34 Cb 0.55 -1.35 0.01 0.00 -0.57 0.00 0.00 31.44 30.09 3i21 n GLU 34 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 3i21 n SER 35 N 0.18 1.19 0.00 1.62 3.41 -1.26 -5.02 113.62 113.73 3i21 n SER 35 Ca 0.00 -1.09 0.00 0.00 -0.26 0.00 0.00 58.87 57.52 3i21 n SER 35 Cb 0.21 0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 3i21 n SER 35 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i21 n GLY 36 N 0.18 3.20 3.44 5.00 0.00 0.18 -3.84 105.19 113.35 3i21 n GLY 36 Ca 0.02 -0.96 -0.49 0.00 0.00 0.00 0.00 46.02 44.58 3i21 n GLY 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i21 n LYS 37 N 0.00 0.19 -2.19 1.61 5.02 -1.26 -4.32 118.16 117.21 3i21 n LYS 37 Ca 0.00 0.07 -0.43 0.00 -2.02 0.00 0.00 58.31 55.93 3i21 n LYS 37 Cb 0.00 -1.19 -0.02 0.00 -0.02 0.00 0.00 35.03 33.80 3i21 n LYS 37 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3i21 s ILE 38 N -0.85 3.72 0.24 -0.18 1.01 -1.26 -0.65 121.20 123.23 3i21 s ILE 38 Ca 0.67 0.75 -0.31 0.00 0.00 0.00 0.00 60.65 61.76 3i21 s ILE 38 Cb -0.94 -3.93 -0.11 0.00 0.01 0.00 0.00 42.46 37.49 3i21 s ILE 38 CO 0.56 -0.56 1.64 -0.69 0.00 0.00 0.00 174.94 175.90 3i21 s VAL 39 N 5.93 2.14 0.27 2.92 1.01 -0.78 -4.92 120.40 126.97 3i21 s VAL 39 Ca 0.70 0.11 -0.30 0.00 0.00 0.00 0.00 61.98 62.49 3i21 s VAL 39 Cb -0.19 -3.07 -0.10 0.00 0.00 0.00 0.00 36.38 33.02 3i21 s VAL 39 CO 0.32 0.01 1.41 -2.84 0.00 0.00 0.00 175.10 174.00 3i21 s PRO 40 N 0.45 4.29 0.26 2.72 0.02 -1.26 -4.84 135.00 136.63 3i21 s PRO 40 Ca 0.69 2.28 -0.03 0.00 0.02 0.00 0.00 61.00 63.96 3i21 s PRO 40 Cb -0.48 -3.10 0.40 0.00 0.02 0.00 0.00 34.50 31.34 3i21 s PRO 40 CO 0.39 -0.37 1.87 0.66 -0.33 0.00 0.00 177.00 179.22 3i21 h SER 41 N 4.61 0.98 -1.65 2.53 4.64 -1.92 0.51 113.55 123.25 3i21 h SER 41 Ca -0.47 0.01 0.48 0.00 -0.47 0.00 0.00 61.79 61.35 3i21 h SER 41 Cb 1.22 -0.19 -0.07 0.00 -0.31 0.00 0.00 62.40 63.05 3i21 h SER 41 CO 0.74 0.62 1.18 0.08 -0.87 0.00 0.00 176.83 178.58 3i21 h ARG 42 N 1.11 0.00 0.02 4.77 0.11 -1.92 0.92 114.38 119.39 3i21 h ARG 42 Ca 0.42 -0.00 -0.39 0.00 0.10 0.00 0.00 59.98 60.11 3i21 h ARG 42 Cb 0.20 -0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.21 3i21 h ARG 42 CO -0.18 0.00 -2.36 -0.89 0.10 0.00 0.00 179.97 176.64 3i21 n ILE 43 N -4.05 1.55 1.26 0.08 2.08 0.10 -4.31 119.36 116.07 3i21 n ILE 43 Ca 0.37 -0.54 0.14 0.00 0.56 0.00 0.00 62.75 63.28 3i21 n ILE 43 Cb 1.70 -1.57 0.69 0.00 -0.75 0.00 0.00 39.64 39.71 3i21 n ILE 43 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 3i21 n THR 44 N -3.49 0.06 -2.42 1.39 -2.24 -0.58 -4.89 114.28 102.11 3i21 n THR 44 Ca -0.44 0.02 -0.13 0.00 -2.27 0.00 0.00 64.05 61.23 3i21 n THR 44 Cb 0.97 -0.54 -0.01 0.00 -2.10 0.00 0.00 70.33 68.66 3i21 n THR 44 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i21 n GLY 45 N 1.22 -0.46 3.68 3.38 0.00 0.31 -4.91 105.19 108.39 3i21 n GLY 45 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 3i21 n GLY 45 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3i21 s THR 46 N -2.62 4.94 0.67 2.61 -1.32 -1.23 -5.02 115.64 113.66 3i21 s THR 46 Ca 0.00 1.51 -0.17 0.00 -1.21 0.00 0.00 61.69 61.82 3i21 s THR 46 Cb 0.00 -4.08 -0.08 0.00 -1.51 0.00 0.00 72.50 66.83 3i21 s THR 46 CO 0.00 0.08 0.33 -2.11 -2.21 0.00 0.00 174.62 170.71 3i21 n ARG 47 N 4.95 0.29 0.02 7.08 1.85 -1.26 -4.55 116.66 125.04 3i21 n ARG 47 Ca 0.02 0.12 -0.08 0.00 -1.00 0.00 0.00 57.85 56.92 3i21 n ARG 47 Cb 0.49 -1.60 0.09 0.00 -1.05 0.00 0.00 32.46 30.39 3i21 n ARG 47 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3i21 h ALA 48 N -0.19 0.78 -0.87 2.89 0.00 -1.96 0.20 119.26 120.11 3i21 h ALA 48 Ca -0.45 -0.49 0.06 0.00 0.00 0.00 0.00 54.91 54.03 3i21 h ALA 48 Cb 1.38 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 19.02 3i21 h ALA 48 CO 0.42 0.68 0.57 -0.22 0.00 0.00 0.00 179.25 180.70 3i21 h LYS 49 N 0.38 0.98 0.14 0.00 3.11 -2.02 -2.73 116.57 116.42 3i21 h LYS 49 Ca 0.01 -0.06 -0.31 0.00 -2.81 0.00 0.00 60.65 57.49 3i21 h LYS 49 Cb 1.03 -0.22 0.00 0.00 -1.00 0.00 0.00 32.23 32.04 3i21 h LYS 49 CO 0.09 0.65 -1.57 1.88 -2.81 0.00 0.00 179.45 177.69 3i21 h TYR 50 N 1.01 0.54 0.00 1.91 0.99 -1.86 -3.33 116.97 116.22 3i21 h TYR 50 Ca 0.37 -0.39 0.00 0.00 2.00 0.00 0.00 58.73 60.70 3i21 h TYR 50 Cb 0.16 -0.02 0.00 0.00 1.00 0.00 0.00 36.73 37.87 3i21 h TYR 50 CO -0.00 1.61 0.33 0.94 -0.00 0.00 0.00 178.16 181.04 3i21 n GLN 51 N -3.78 0.03 -0.10 4.88 -0.06 0.69 -0.18 117.38 118.87 3i21 n GLN 51 Ca -0.25 0.36 -0.20 0.00 -2.00 0.00 0.00 57.00 54.91 3i21 n GLN 51 Cb 0.97 -1.93 -0.11 0.00 -4.06 0.00 0.00 30.24 25.12 3i21 n GLN 51 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3i21 h ARG 52 N 0.00 0.00 -0.12 3.69 3.08 -1.61 -3.34 114.38 116.08 3i21 h ARG 52 Ca 0.00 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.08 3i21 h ARG 52 Cb 0.65 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.64 3i21 h ARG 52 CO 0.00 0.93 -0.49 1.96 -1.07 0.00 0.00 179.97 181.29 3i21 h GLN 53 N -1.00 -0.51 -0.62 0.04 4.20 -0.71 -2.02 115.11 114.49 3i21 h GLN 53 Ca -0.31 0.03 0.06 0.00 0.06 0.00 0.00 58.65 58.49 3i21 h GLN 53 Cb 1.24 0.12 -0.07 0.00 0.30 0.00 0.00 27.48 29.06 3i21 h GLN 53 CO -0.19 -0.34 -0.37 -0.11 -0.67 0.00 0.00 178.83 177.15 3i21 n LEU 54 N -5.15 -0.66 -0.04 1.46 7.94 -0.65 0.58 117.00 120.47 3i21 n LEU 54 Ca -0.06 1.24 -0.08 0.00 -1.11 0.00 0.00 56.01 56.01 3i21 n LEU 54 Cb 0.34 -0.21 -0.02 0.00 0.53 0.00 0.00 43.42 44.07 3i21 n LEU 54 CO 0.08 -0.97 0.77 0.00 -1.11 0.00 0.00 177.39 176.15 3i21 h ALA 55 N 0.18 0.03 -0.21 1.96 0.00 -1.63 0.57 119.26 120.17 3i21 h ALA 55 Ca 0.10 0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.12 3i21 h ALA 55 Cb 0.26 0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 3i21 h ALA 55 CO -0.59 -0.56 -0.37 0.00 0.00 0.00 0.00 179.25 177.74 3i21 h ARG 56 N -0.12 -0.30 -0.31 0.00 2.47 0.89 0.11 114.38 117.12 3i21 h ARG 56 Ca 0.13 0.02 0.07 0.00 -1.26 0.00 0.00 59.98 58.93 3i21 h ARG 56 Cb 0.31 0.07 -0.08 0.00 -1.65 0.00 0.00 29.97 28.62 3i21 h ARG 56 CO -0.30 -0.20 -0.34 0.00 0.56 0.00 0.00 179.97 179.69 3i21 h ALA 57 N -0.54 -0.28 -0.03 0.04 0.00 0.36 -1.62 119.26 117.20 3i21 h ALA 57 Ca 0.04 0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.05 3i21 h ALA 57 Cb 0.41 0.70 -0.05 0.00 0.00 0.00 0.00 17.79 18.86 3i21 h ALA 57 CO -0.36 -0.77 -0.27 0.82 0.00 0.00 0.00 179.25 178.67 3i21 h ILE 58 N -0.31 0.39 -0.51 0.00 2.04 0.65 -0.58 117.51 119.18 3i21 h ILE 58 Ca 0.14 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.10 3i21 h ILE 58 Cb 0.55 0.39 -0.09 0.00 -0.74 0.00 0.00 36.82 36.94 3i21 h ILE 58 CO -0.49 0.00 -0.02 0.11 0.00 0.00 0.00 178.15 177.76 3i21 h LYS 59 N -0.39 0.09 -0.35 2.37 1.57 -0.46 -0.59 116.57 118.82 3i21 h LYS 59 Ca 0.07 -0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.92 3i21 h LYS 59 Cb 0.49 -0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.71 3i21 h LYS 59 CO -0.25 0.06 -0.14 0.00 -0.57 0.00 0.00 179.45 178.55 3i21 h ARG 60 N 0.10 -0.07 -0.58 3.15 3.08 -0.41 -2.16 114.38 117.49 3i21 h ARG 60 Ca 0.26 0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.42 3i21 h ARG 60 Cb 0.39 0.02 -0.08 0.00 0.08 0.00 0.00 29.97 30.38 3i21 h ARG 60 CO -0.44 -0.05 0.12 0.00 -1.07 0.00 0.00 179.97 178.53 3i21 h ALA 61 N 1.22 0.67 -0.26 0.04 0.00 0.38 -1.83 119.26 119.48 3i21 h ALA 61 Ca 0.17 0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.27 3i21 h ALA 61 Cb 0.34 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.22 3i21 h ALA 61 CO -0.40 -0.30 -0.27 0.00 0.00 0.00 0.00 179.25 178.28 3i21 h ARG 62 N 0.26 -0.26 -0.71 0.00 3.08 -0.66 -1.44 114.38 114.65 3i21 h ARG 62 Ca 0.30 0.02 0.12 0.00 0.07 0.00 0.00 59.98 60.49 3i21 h ARG 62 Cb 0.43 0.06 -0.09 0.00 0.08 0.00 0.00 29.97 30.45 3i21 h ARG 62 CO -0.38 -0.17 0.29 1.88 -1.07 0.00 0.00 179.97 180.52 3i21 h TYR 63 N -0.27 0.50 0.00 3.04 -1.99 -1.09 1.06 116.97 118.23 3i21 h TYR 63 Ca 0.14 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.90 3i21 h TYR 63 Cb 0.49 -0.12 0.00 0.00 2.00 0.00 0.00 36.73 39.10 3i21 h TYR 63 CO -0.43 0.10 0.00 1.28 -0.00 0.00 0.00 178.16 179.11 3i21 n LEU 64 N -4.98 0.00 -4.11 3.88 4.77 -0.77 -4.84 117.00 110.95 3i21 n LEU 64 Ca 0.12 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.77 3i21 n LEU 64 Cb 0.36 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.44 3i21 n LEU 64 CO 0.20 0.00 -0.01 -0.24 -1.33 0.00 0.00 177.39 176.02 3i21 n SER 65 N -0.78 -3.47 -0.05 -1.43 2.88 0.37 -4.85 113.62 106.28 3i21 n SER 65 Ca 0.08 -0.94 -0.21 0.00 -1.33 0.00 0.00 58.87 56.47 3i21 n SER 65 Cb 0.04 -3.11 -0.13 0.00 -0.75 0.00 0.00 64.21 60.26 3i21 n SER 65 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 3i21 h LEU 66 N -1.70 0.16 -9.87 2.46 3.38 -1.45 -3.48 115.31 104.81 3i21 h LEU 66 Ca -0.59 -0.72 -0.52 0.00 0.09 0.00 0.00 57.88 56.14 3i21 h LEU 66 Cb 1.38 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 42.02 3i21 h LEU 66 CO 0.74 1.50 -0.53 -0.76 0.09 0.00 0.00 178.44 179.48 3i21 s LEU 67 N -7.73 3.57 -0.20 1.67 1.43 -1.22 -4.99 118.68 111.20 3i21 s LEU 67 Ca -0.24 -0.46 -0.26 0.00 -1.03 0.00 0.00 54.13 52.14 3i21 s LEU 67 Cb 0.04 -2.11 -0.01 0.00 0.03 0.00 0.00 46.19 44.14 3i21 s LEU 67 CO 0.68 -0.16 0.87 -2.16 0.23 0.00 0.00 176.35 175.80 3i21 s PRO 68 N -3.86 4.26 0.00 1.29 0.04 -1.26 -4.28 135.00 131.19 3i21 s PRO 68 Ca 0.36 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.45 3i21 s PRO 68 Cb -0.06 -3.61 0.00 0.00 0.04 0.00 0.00 34.50 30.87 3i21 s PRO 68 CO 0.24 -0.43 0.47 0.66 0.04 0.00 0.00 177.00 177.98 3i21 n TYR 69 N 5.64 0.00 -1.44 0.56 4.02 -1.26 -4.82 117.16 119.86 3i21 n TYR 69 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.95 3i21 n TYR 69 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.80 3i21 n TYR 69 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 176.86 173.48 3i21 n THR 70 N -0.75 0.00 0.05 -0.72 5.66 -1.26 -4.71 114.28 112.55 3i21 n THR 70 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 3i21 n THR 70 Cb 0.00 -1.22 0.00 0.00 -1.55 0.00 0.00 70.33 67.56 3i21 n THR 70 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 3i21 n ASP 71 N 0.00 1.03 -0.08 1.09 4.64 -1.25 -4.72 116.55 117.27 3i21 n ASP 71 Ca 0.00 0.14 -0.01 0.00 -1.38 0.00 0.00 54.79 53.54 3i21 n ASP 71 Cb 0.00 -0.30 -0.00 0.00 -1.04 0.00 0.00 41.12 39.78 3i21 n ASP 71 CO 0.00 0.00 0.00 -2.11 -0.82 0.00 0.00 177.20 174.27 3i21 n ARG 72 N -3.47 -0.06 0.00 -0.67 0.00 -1.26 -5.10 116.66 106.10 3i21 n ARG 72 Ca 0.00 0.29 0.04 0.00 -0.00 0.00 0.00 57.85 58.19 3i21 n ARG 72 Cb 0.03 -0.43 0.04 0.00 -0.00 0.00 0.00 32.46 32.09 3i21 n ARG 72 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35