#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tf0 s ILE 2 N 0.00 -0.52 -1.22 2.28 -1.09 -1.26 -5.01 121.20 114.38 1tf0 s ILE 2 Ca 0.00 -0.17 0.16 0.00 -2.23 0.00 0.00 60.65 58.42 1tf0 s ILE 2 Cb 0.00 0.00 0.21 0.00 -1.58 0.00 0.00 42.46 41.09 1tf0 s ILE 2 CO 0.00 0.00 1.49 0.47 -1.23 0.00 0.00 174.94 175.67 1tf0 n ASP 3 N 3.59 0.00 -0.11 3.58 8.00 -1.26 -3.27 116.55 127.08 1tf0 n ASP 3 Ca 0.10 0.27 -0.14 0.00 0.71 0.00 0.00 54.79 55.73 1tf0 n ASP 3 Cb 0.61 -0.39 -0.03 0.00 -0.02 0.00 0.00 41.12 41.29 1tf0 n ASP 3 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1tf0 h GLN 4 N 0.00 0.92 -0.14 -1.24 4.20 -1.97 0.87 115.11 117.75 1tf0 h GLN 4 Ca 0.00 -0.51 -0.00 0.00 0.06 0.00 0.00 58.65 58.20 1tf0 h GLN 4 Cb 0.21 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 1tf0 h GLN 4 CO 0.00 1.16 0.08 2.35 -0.67 0.00 0.00 178.83 181.75 1tf0 h TRP 5 N 0.73 0.19 -0.59 2.96 7.01 -1.98 0.54 115.95 124.81 1tf0 h TRP 5 Ca 0.05 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.04 1tf0 h TRP 5 Cb 1.03 -0.06 -0.03 0.00 -2.10 0.00 0.00 29.16 28.00 1tf0 h TRP 5 CO 0.07 0.18 0.35 -0.07 -2.79 0.00 0.00 178.44 176.17 1tf0 h LEU 6 N 0.14 0.72 0.38 0.65 3.38 -1.58 0.06 115.31 119.06 1tf0 h LEU 6 Ca 0.05 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1tf0 h LEU 6 Cb 0.05 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 1tf0 h LEU 6 CO -0.01 0.57 -0.47 0.25 0.09 0.00 0.00 178.44 178.87 1tf0 h LEU 7 N 0.80 -1.33 -0.86 1.67 6.46 0.12 0.69 115.31 122.86 1tf0 h LEU 7 Ca 0.21 0.11 0.17 0.00 -0.12 0.00 0.00 57.88 58.26 1tf0 h LEU 7 Cb -0.00 0.45 -0.16 0.00 -0.73 0.00 0.00 40.66 40.22 1tf0 h LEU 7 CO -0.04 -0.59 -0.22 0.50 -0.62 0.00 0.00 178.44 177.47 1tf0 h LYS 8 N -0.88 -0.00 0.00 1.25 1.63 0.14 -0.90 116.57 117.81 1tf0 h LYS 8 Ca -0.05 0.00 -0.10 0.00 -0.85 0.00 0.00 60.65 59.66 1tf0 h LYS 8 Cb 0.78 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.40 1tf0 h LYS 8 CO -0.11 -0.00 -0.45 -0.91 -3.45 0.00 0.00 179.45 174.53 1tf0 h ASN 9 N -0.00 0.00 0.44 4.20 -0.26 0.31 -2.40 115.58 117.87 1tf0 h ASN 9 Ca 0.41 0.00 -0.23 0.00 -0.56 0.00 0.00 56.30 55.92 1tf0 h ASN 9 Cb 0.63 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.89 1tf0 h ASN 9 CO -0.89 0.45 -1.00 0.00 -1.06 0.00 0.00 177.43 174.94 1tf0 h ALA 10 N 1.55 0.33 0.39 -0.83 0.00 0.17 -3.35 119.26 117.52 1tf0 h ALA 10 Ca -0.00 -0.75 -0.02 0.00 0.00 0.00 0.00 54.91 54.14 1tf0 h ALA 10 Cb 0.84 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1tf0 h ALA 10 CO 0.06 0.86 -0.19 0.87 0.00 0.00 0.00 179.25 180.86 1tf0 h LYS 11 N 0.18 -0.51 -6.42 0.00 1.57 -1.17 -1.11 116.57 109.10 1tf0 h LYS 11 Ca -0.09 0.03 -0.63 0.00 -1.87 0.00 0.00 60.65 58.10 1tf0 h LYS 11 Cb 1.65 0.12 0.08 0.00 0.08 0.00 0.00 32.23 34.16 1tf0 h LYS 11 CO 0.17 -0.34 0.42 -1.91 -0.57 0.00 0.00 179.45 177.22 1tf0 n GLU 12 N -3.74 1.49 0.00 3.15 2.13 -0.92 -1.91 120.64 120.84 1tf0 n GLU 12 Ca -0.07 0.53 0.00 0.00 0.66 0.00 0.00 57.16 58.29 1tf0 n GLU 12 Cb 0.21 -2.11 0.00 0.00 0.27 0.00 0.00 31.44 29.81 1tf0 n GLU 12 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1tf0 n ASP 13 N 2.17 0.00 -0.16 4.31 -0.08 -1.26 -4.63 116.55 116.90 1tf0 n ASP 13 Ca 0.14 0.00 -0.02 0.00 -1.51 0.00 0.00 54.79 53.40 1tf0 n ASP 13 Cb 0.27 0.00 0.06 0.00 2.34 0.00 0.00 41.12 43.78 1tf0 n ASP 13 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1tf0 h ALA 14 N 0.00 0.46 -0.55 -1.67 0.00 -0.99 0.34 119.26 116.85 1tf0 h ALA 14 Ca 0.00 0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.09 1tf0 h ALA 14 Cb 0.00 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1tf0 h ALA 14 CO 0.00 -0.39 0.32 0.82 0.00 0.00 0.00 179.25 179.99 1tf0 h ILE 15 N 0.11 1.03 -0.64 0.00 2.04 -1.62 0.25 117.51 118.68 1tf0 h ILE 15 Ca 0.25 -0.21 -0.00 0.00 1.00 0.00 0.00 64.86 65.90 1tf0 h ILE 15 Cb 0.38 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 1tf0 h ILE 15 CO -0.42 0.11 0.39 0.00 0.00 0.00 0.00 178.15 178.24 1tf0 h ALA 16 N 1.26 0.81 -0.49 1.87 0.00 -1.66 0.76 119.26 121.81 1tf0 h ALA 16 Ca 0.23 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.09 1tf0 h ALA 16 Cb 0.06 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1tf0 h ALA 16 CO -0.12 0.28 0.28 1.49 0.00 0.00 0.00 179.25 181.18 1tf0 h GLU 17 N 0.86 0.54 -0.17 0.00 4.81 0.95 0.26 114.58 121.84 1tf0 h GLU 17 Ca 0.23 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.39 1tf0 h GLU 17 Cb -0.04 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 1tf0 h GLU 17 CO -0.04 0.36 -0.04 -0.07 -0.73 0.00 0.00 179.01 178.48 1tf0 h LEU 18 N 0.56 0.33 -0.81 1.64 3.38 -0.04 -1.55 115.31 118.81 1tf0 h LEU 18 Ca 0.20 -0.37 0.16 0.00 0.09 0.00 0.00 57.88 57.96 1tf0 h LEU 18 Cb 0.04 -0.09 -0.10 0.00 0.09 0.00 0.00 40.66 40.60 1tf0 h LEU 18 CO -0.10 0.62 0.35 0.11 0.09 0.00 0.00 178.44 179.51 1tf0 h LYS 19 N 0.03 0.45 -0.10 1.13 1.57 -0.49 0.58 116.57 119.72 1tf0 h LYS 19 Ca 0.04 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.74 1tf0 h LYS 19 Cb 0.48 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 1tf0 h LYS 19 CO 0.02 0.30 -0.19 -0.22 -0.57 0.00 0.00 179.45 178.78 1tf0 h LYS 20 N 0.46 0.17 -0.00 3.15 3.64 0.24 -1.22 116.57 123.01 1tf0 h LYS 20 Ca 0.46 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.80 1tf0 h LYS 20 Cb 0.75 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 1tf0 h LYS 20 CO -0.43 0.37 -0.01 0.00 -2.27 0.00 0.00 179.45 177.10 1tf0 n ALA 21 N -2.49 2.64 -0.34 5.00 0.00 0.13 -4.89 120.51 120.55 1tf0 n ALA 21 Ca -0.01 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1tf0 n ALA 21 Cb 0.30 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.27 1tf0 n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tf0 n GLY 22 N 1.11 0.81 3.74 0.00 0.00 -0.46 -5.03 105.19 105.36 1tf0 n GLY 22 Ca 0.20 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1tf0 n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tf0 s ILE 23 N -2.00 3.85 0.00 -0.61 1.01 -0.83 -4.94 121.20 117.67 1tf0 s ILE 23 Ca 0.00 1.67 0.00 0.00 0.00 0.00 0.00 60.65 62.32 1tf0 s ILE 23 Cb 0.00 -4.06 0.00 0.00 0.01 0.00 0.00 42.46 38.41 1tf0 s ILE 23 CO 0.00 0.32 0.25 0.41 0.00 0.00 0.00 174.94 175.92 1tf0 n THR 24 N 2.05 0.03 -4.47 2.92 -1.04 -1.26 -4.04 114.28 108.47 1tf0 n THR 24 Ca 0.01 -0.24 -0.33 0.00 -2.04 0.00 0.00 64.05 61.45 1tf0 n THR 24 Cb 0.46 1.51 -0.15 0.00 -1.82 0.00 0.00 70.33 70.33 1tf0 n THR 24 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1tf0 s SER 25 N -0.03 3.90 0.49 8.00 0.15 -1.26 -4.97 113.70 119.98 1tf0 s SER 25 Ca 0.00 -0.41 0.19 0.00 0.70 0.00 0.00 55.95 56.43 1tf0 s SER 25 Cb 0.00 -1.61 1.03 0.00 -1.71 0.00 0.00 66.02 63.73 1tf0 s SER 25 CO 0.00 0.09 1.52 0.44 1.20 0.00 0.00 173.24 176.49 1tf0 h ASP 26 N 7.28 0.00 -0.98 5.45 3.45 -1.97 -0.70 116.42 128.96 1tf0 h ASP 26 Ca -0.33 0.00 0.01 0.00 0.43 0.00 0.00 57.03 57.14 1tf0 h ASP 26 Cb 1.19 0.00 -0.05 0.00 -0.56 0.00 0.00 39.33 39.91 1tf0 h ASP 26 CO 0.58 0.00 0.64 0.15 -1.57 0.00 0.00 179.24 179.04 1tf0 h PHE 27 N 0.00 1.24 0.17 4.55 3.57 -1.99 0.45 116.94 124.93 1tf0 h PHE 27 Ca 0.00 0.02 -0.27 0.00 3.53 0.00 0.00 57.97 61.26 1tf0 h PHE 27 Cb 0.74 -0.42 0.02 0.00 2.79 0.00 0.00 35.95 39.07 1tf0 h PHE 27 CO 0.00 0.79 -1.25 1.88 -2.23 0.00 0.00 178.31 177.50 1tf0 h TYR 28 N 1.34 0.64 -0.21 0.41 0.05 -1.56 -3.11 116.97 114.52 1tf0 h TYR 28 Ca 0.36 -0.47 -0.04 0.00 0.05 0.00 0.00 58.73 58.63 1tf0 h TYR 28 Cb -0.14 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 37.56 1tf0 h TYR 28 CO 0.00 1.48 -0.03 0.74 -1.05 0.00 0.00 178.16 179.30 1tf0 h PHE 29 N -0.18 0.33 -0.65 4.88 0.04 -1.16 0.19 116.94 120.39 1tf0 h PHE 29 Ca -0.24 -0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.46 1tf0 h PHE 29 Cb 1.85 -0.10 -0.03 0.00 2.20 0.00 0.00 35.95 39.88 1tf0 h PHE 29 CO 0.15 0.37 0.21 -0.91 -0.60 0.00 0.00 178.31 177.53 1tf0 h ASN 30 N 0.31 0.91 -0.30 2.17 2.35 -0.16 -1.08 115.58 119.78 1tf0 h ASN 30 Ca 0.07 -0.15 -0.12 0.00 -0.55 0.00 0.00 56.30 55.55 1tf0 h ASN 30 Cb 0.27 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 1tf0 h ASN 30 CO 0.01 0.84 -0.28 0.00 -1.65 0.00 0.00 177.43 176.36 1tf0 h ALA 31 N 1.28 0.44 -0.68 -0.83 0.00 -0.93 0.59 119.26 119.13 1tf0 h ALA 31 Ca 0.21 -0.40 0.06 0.00 0.00 0.00 0.00 54.91 54.79 1tf0 h ALA 31 Cb 0.25 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.89 1tf0 h ALA 31 CO -0.01 0.45 0.38 0.82 0.00 0.00 0.00 179.25 180.89 1tf0 h ILE 32 N 0.47 0.97 -0.05 0.00 1.08 -1.00 -1.37 117.51 117.61 1tf0 h ILE 32 Ca 0.05 -0.24 -0.05 0.00 -0.39 0.00 0.00 64.86 64.24 1tf0 h ILE 32 Cb 0.84 0.21 -0.01 0.00 -3.07 0.00 0.00 36.82 34.79 1tf0 h ILE 32 CO 0.07 0.13 -0.19 0.78 -0.69 0.00 0.00 178.15 178.25 1tf0 h ASN 33 N 0.70 0.07 0.75 1.72 2.35 0.17 -1.05 115.58 120.28 1tf0 h ASN 33 Ca 0.31 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 1tf0 h ASN 33 Cb 0.19 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.54 1tf0 h ASN 33 CO -0.18 0.26 0.00 0.29 -1.65 0.00 0.00 177.43 176.15 1tf0 n LYS 34 N -4.28 0.12 0.00 0.81 4.76 0.06 -4.63 118.16 114.99 1tf0 n LYS 34 Ca -0.02 0.31 0.00 0.00 -2.87 0.00 0.00 58.31 55.74 1tf0 n LYS 34 Cb 0.27 -1.72 0.00 0.00 -1.84 0.00 0.00 35.03 31.74 1tf0 n LYS 34 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1tf0 n ALA 35 N -1.66 0.00 -0.35 7.82 0.00 -0.40 -4.92 120.51 120.99 1tf0 n ALA 35 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1tf0 n ALA 35 Cb 0.24 0.40 0.00 0.00 0.00 0.00 0.00 19.45 20.08 1tf0 n ALA 35 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1tf0 n LYS 36 N -2.46 0.00 -3.64 0.00 5.02 -1.26 -4.97 118.16 110.85 1tf0 n LYS 36 Ca 0.00 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.24 1tf0 n LYS 36 Cb 0.00 -0.95 -0.07 0.00 -0.02 0.00 0.00 35.03 33.99 1tf0 n LYS 36 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1tf0 s THR 37 N -2.75 0.00 0.09 -0.18 2.01 -1.26 -5.05 115.64 108.50 1tf0 s THR 37 Ca 0.00 0.00 -0.17 0.00 0.31 0.00 0.00 61.69 61.83 1tf0 s THR 37 Cb 0.00 -1.00 -0.07 0.00 0.01 0.00 0.00 72.50 71.44 1tf0 s THR 37 CO 0.00 0.00 1.51 0.58 -0.69 0.00 0.00 174.62 176.02 1tf0 h VAL 38 N 3.99 1.27 -1.01 3.82 2.07 -1.94 -2.33 116.25 122.11 1tf0 h VAL 38 Ca -0.28 -1.03 0.24 0.00 0.82 0.00 0.00 66.70 66.45 1tf0 h VAL 38 Cb 1.18 1.36 -0.11 0.00 -1.52 0.00 0.00 31.29 32.21 1tf0 h VAL 38 CO 0.16 0.33 0.63 -0.33 0.02 0.00 0.00 177.57 178.37 1tf0 h GLU 39 N 0.31 0.52 0.07 1.57 3.07 -1.99 -1.44 114.58 116.68 1tf0 h GLU 39 Ca 0.08 -0.03 -0.24 0.00 -0.50 0.00 0.00 59.36 58.66 1tf0 h GLU 39 Cb 0.50 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.29 1tf0 h GLU 39 CO 0.02 0.34 -1.09 0.93 -1.40 0.00 0.00 179.01 177.81 1tf0 h GLU 40 N 0.53 0.22 -0.24 2.33 5.08 -1.83 -1.21 114.58 119.46 1tf0 h GLU 40 Ca 0.60 -0.32 0.05 0.00 -1.00 0.00 0.00 59.36 58.69 1tf0 h GLU 40 Cb 1.28 0.11 -0.05 0.00 0.50 0.00 0.00 28.75 30.59 1tf0 h GLU 40 CO -0.37 1.11 -0.10 0.28 -1.00 0.00 0.00 179.01 178.93 1tf0 h VAL 41 N 0.08 0.67 0.06 3.13 2.07 -0.90 0.22 116.25 121.58 1tf0 h VAL 41 Ca -0.09 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.44 1tf0 h VAL 41 Cb 1.80 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 32.22 1tf0 h VAL 41 CO 0.17 0.00 -0.09 0.78 0.02 0.00 0.00 177.57 178.45 1tf0 h ASN 42 N -0.06 -0.25 -0.41 0.57 -0.26 -0.96 0.23 115.58 114.44 1tf0 h ASN 42 Ca 0.13 0.03 -0.07 0.00 -0.56 0.00 0.00 56.30 55.83 1tf0 h ASN 42 Cb 0.25 0.10 -0.02 0.00 -1.06 0.00 0.00 38.32 37.59 1tf0 h ASN 42 CO -0.29 -0.14 0.01 0.00 -1.06 0.00 0.00 177.43 175.96 1tf0 h ALA 43 N 0.74 1.11 -0.25 -0.83 0.00 -1.05 -0.59 119.26 118.39 1tf0 h ALA 43 Ca 0.02 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.56 1tf0 h ALA 43 Cb 0.20 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1tf0 h ALA 43 CO -0.05 0.57 -0.28 1.25 0.00 0.00 0.00 179.25 180.73 1tf0 h LEU 44 N 0.75 0.68 -0.22 0.00 7.12 -0.59 -0.48 115.31 122.56 1tf0 h LEU 44 Ca 0.15 -0.49 -0.00 0.00 0.13 0.00 0.00 57.88 57.67 1tf0 h LEU 44 Cb 0.44 -0.19 -0.01 0.00 -0.53 0.00 0.00 40.66 40.36 1tf0 h LEU 44 CO 0.02 1.03 0.14 0.50 -0.13 0.00 0.00 178.44 179.99 1tf0 h LYS 45 N 0.34 0.30 -0.63 1.25 3.64 -0.28 -1.40 116.57 119.80 1tf0 h LYS 45 Ca 0.03 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1tf0 h LYS 45 Cb 0.85 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.58 1tf0 h LYS 45 CO 0.07 0.24 0.32 -0.91 -2.27 0.00 0.00 179.45 176.90 1tf0 h ASN 46 N 0.28 0.79 0.21 4.20 2.35 -0.88 -1.42 115.58 121.11 1tf0 h ASN 46 Ca 0.08 -0.07 -0.11 0.00 -0.55 0.00 0.00 56.30 55.66 1tf0 h ASN 46 Cb 0.01 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.17 1tf0 h ASN 46 CO -0.02 0.65 -0.40 -0.33 -1.65 0.00 0.00 177.43 175.69 1tf0 h GLU 47 N 0.88 0.25 0.02 0.81 4.39 -0.72 0.41 114.58 120.62 1tf0 h GLU 47 Ca 0.22 -0.12 -0.00 0.00 0.34 0.00 0.00 59.36 59.80 1tf0 h GLU 47 Cb 0.06 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1tf0 h GLU 47 CO -0.03 0.62 -0.01 0.82 -1.16 0.00 0.00 179.01 179.24 1tf0 h ILE 48 N 0.21 1.27 -0.42 3.13 2.04 -0.78 0.15 117.51 123.12 1tf0 h ILE 48 Ca 0.02 -0.91 0.06 0.00 1.00 0.00 0.00 64.86 65.04 1tf0 h ILE 48 Cb 0.80 1.87 -0.06 0.00 -0.74 0.00 0.00 36.82 38.69 1tf0 h ILE 48 CO 0.06 0.23 0.08 -0.07 0.00 0.00 0.00 178.15 178.46 1tf0 h LEU 49 N -0.43 0.01 -0.40 1.44 3.38 -0.90 0.20 115.31 118.62 1tf0 h LEU 49 Ca -0.00 0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.08 1tf0 h LEU 49 Cb 0.40 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 1tf0 h LEU 49 CO 0.01 0.04 0.18 0.11 0.09 0.00 0.00 178.44 178.86 1tf0 h LYS 50 N 0.22 0.35 -0.09 1.13 1.79 -0.94 -2.74 116.57 116.29 1tf0 h LYS 50 Ca 0.20 -0.02 -0.04 0.00 -2.18 0.00 0.00 60.65 58.61 1tf0 h LYS 50 Cb 0.24 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.81 1tf0 h LYS 50 CO -0.26 0.23 -0.11 0.00 -1.08 0.00 0.00 179.45 178.23 1tf0 h ALA 51 N 1.23 1.65 0.12 3.86 0.00 0.92 -3.26 119.26 123.78 1tf0 h ALA 51 Ca 0.18 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1tf0 h ALA 51 Cb 0.12 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1tf0 h ALA 51 CO -0.15 0.26 -0.06 1.25 0.00 0.00 0.00 179.25 180.55 1tf0 h HIS 52 N 0.13 -0.15 0.00 0.00 -0.00 -0.39 -3.51 115.15 111.24 1tf0 h HIS 52 Ca 0.03 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.39 1tf0 h HIS 52 Cb 0.29 0.05 0.00 0.00 -0.00 0.00 0.00 27.41 27.75 1tf0 h HIS 52 CO 0.00 0.24 0.00 0.00 -0.00 0.00 0.00 177.93 178.17