#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p57 s LEU 6 N 0.00 3.52 0.25 1.53 1.43 -1.26 -4.98 118.68 119.17 1p57 s LEU 6 Ca 0.00 2.26 -0.24 0.00 -1.03 0.00 0.00 54.13 55.11 1p57 s LEU 6 Cb 0.00 -4.58 -0.09 0.00 0.03 0.00 0.00 46.19 41.55 1p57 s LEU 6 CO 0.00 -1.71 0.84 -0.47 0.23 0.00 0.00 176.35 175.23 1p57 s TYR 7 N -1.89 3.76 -0.06 0.29 5.04 -1.26 -4.93 117.35 118.29 1p57 s TYR 7 Ca 0.73 1.64 0.28 0.00 -2.44 0.00 0.00 57.07 57.29 1p57 s TYR 7 Cb -0.27 -2.80 1.40 0.00 0.35 0.00 0.00 41.96 40.64 1p57 s TYR 7 CO 0.37 0.35 1.85 -1.00 -1.34 0.00 0.00 175.55 175.78 1p57 h PRO 8 N 3.63 0.00 -5.26 4.97 0.13 -1.95 -3.40 132.00 130.12 1p57 h PRO 8 Ca -0.47 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 63.99 1p57 h PRO 8 Cb 1.20 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.03 1p57 h PRO 8 CO 0.66 0.00 -0.81 0.08 -0.23 0.00 0.00 178.00 177.69 1p57 s VAL 9 N -3.62 2.61 0.10 1.56 1.01 -1.26 -0.78 120.40 120.02 1p57 s VAL 9 Ca -0.01 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.20 1p57 s VAL 9 Cb 0.09 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 1p57 s VAL 9 CO 0.33 0.53 -0.09 -1.10 0.00 0.00 0.00 175.10 174.77 1p57 s GLN 10 N 0.60 0.85 -0.01 2.72 -1.52 -0.41 -4.92 119.66 116.95 1p57 s GLN 10 Ca -0.10 -1.22 0.04 0.00 -1.95 0.00 0.00 55.36 52.13 1p57 s GLN 10 Cb -0.16 -0.42 -0.01 0.00 -0.22 0.00 0.00 33.01 32.20 1p57 s GLN 10 CO 0.03 0.05 -0.12 0.54 -0.25 0.00 0.00 175.29 175.54 1p57 s VAL 11 N -2.86 0.93 0.31 1.09 0.11 -1.26 -0.91 120.40 117.80 1p57 s VAL 11 Ca 0.08 -0.50 -0.27 0.00 -2.93 0.00 0.00 61.98 58.36 1p57 s VAL 11 Cb -0.00 -0.78 -0.09 0.00 -1.53 0.00 0.00 36.38 33.97 1p57 s VAL 11 CO -0.01 0.27 1.00 -0.55 -3.33 0.00 0.00 175.10 172.47 1p57 s SER 12 N -0.24 7.27 0.09 3.54 0.15 -0.40 -4.93 113.70 119.17 1p57 s SER 12 Ca 0.04 2.00 0.25 0.00 0.70 0.00 0.00 55.95 58.94 1p57 s SER 12 Cb -0.05 -2.60 0.42 0.00 -1.71 0.00 0.00 66.02 62.09 1p57 s SER 12 CO -0.00 -0.12 1.37 -1.54 1.20 0.00 0.00 173.24 174.15 1p57 n SER 13 N 0.78 0.62 -0.01 5.45 3.41 -1.26 -1.31 113.62 121.30 1p57 n SER 13 Ca 0.01 0.05 -0.20 0.00 -0.26 0.00 0.00 58.87 58.47 1p57 n SER 13 Cb 0.48 0.15 -0.13 0.00 -0.26 0.00 0.00 64.21 64.44 1p57 n SER 13 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1p57 h ALA 14 N 2.65 0.12 0.00 7.33 0.00 -1.98 -3.42 119.26 123.95 1p57 h ALA 14 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 54.91 53.96 1p57 h ALA 14 Cb 0.68 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1p57 h ALA 14 CO 0.00 0.60 -0.44 -0.40 0.00 0.00 0.00 179.25 179.01 1p57 n ASP 15 N -4.15 0.17 -1.54 0.00 5.68 -1.26 -5.03 116.55 110.43 1p57 n ASP 15 Ca -0.22 -2.02 -0.17 0.00 -0.50 0.00 0.00 54.79 51.87 1p57 n ASP 15 Cb 0.79 -0.20 -0.07 0.00 -1.14 0.00 0.00 41.12 40.49 1p57 n ASP 15 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1p57 n ALA 16 N -0.10 -0.28 -1.78 2.12 0.00 -0.42 -4.81 120.51 115.24 1p57 n ALA 16 Ca 0.01 0.27 -0.36 0.00 0.00 0.00 0.00 53.44 53.36 1p57 n ALA 16 Cb 0.68 -1.75 -0.02 0.00 0.00 0.00 0.00 19.45 18.36 1p57 n ALA 16 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1p57 s ARG 17 N -3.52 3.80 0.14 0.00 1.70 -1.26 0.19 118.95 120.00 1p57 s ARG 17 Ca 0.00 1.63 -0.16 0.00 -0.47 0.00 0.00 55.73 56.73 1p57 s ARG 17 Cb 0.00 -2.34 -0.07 0.00 -0.57 0.00 0.00 34.95 31.97 1p57 s ARG 17 CO 0.00 -0.48 0.58 -0.51 -1.08 0.00 0.00 175.30 173.81 1p57 s LEU 18 N -3.10 4.38 -0.04 -1.89 1.43 -0.81 -1.28 118.68 117.37 1p57 s LEU 18 Ca 0.64 1.17 0.02 0.00 -1.03 0.00 0.00 54.13 54.93 1p57 s LEU 18 Cb -0.25 -3.24 0.01 0.00 0.03 0.00 0.00 46.19 42.75 1p57 s LEU 18 CO 0.30 0.13 -0.07 -0.04 0.23 0.00 0.00 176.35 176.90 1p57 s MET 19 N -1.78 0.94 -0.06 1.70 -1.94 -0.09 -4.14 119.30 113.94 1p57 s MET 19 Ca 0.37 -0.20 0.03 0.00 -1.71 0.00 0.00 55.69 54.18 1p57 s MET 19 Cb -0.16 -0.89 0.01 0.00 2.01 0.00 0.00 34.83 35.79 1p57 s MET 19 CO 0.19 -0.01 -0.14 0.08 -0.01 0.00 0.00 175.02 175.14 1p57 s VAL 20 N 0.63 1.25 0.30 -6.03 1.01 -0.14 -1.29 120.40 116.12 1p57 s VAL 20 Ca -0.09 -0.57 -0.29 0.00 0.00 0.00 0.00 61.98 61.02 1p57 s VAL 20 Cb -0.12 -1.12 -0.10 0.00 0.00 0.00 0.00 36.38 35.04 1p57 s VAL 20 CO 0.01 0.38 1.30 0.12 0.00 0.00 0.00 175.10 176.90 1p57 s PHE 21 N 0.44 3.14 -0.34 5.22 5.36 0.04 -0.49 117.98 131.35 1p57 s PHE 21 Ca -0.11 1.37 0.01 0.00 -0.96 0.00 0.00 56.93 57.24 1p57 s PHE 21 Cb -0.14 -3.64 0.09 0.00 -0.34 0.00 0.00 43.02 38.98 1p57 s PHE 21 CO 0.03 -1.81 0.05 0.34 -1.46 0.00 0.00 175.22 172.38 1p57 s ASP 22 N -0.30 4.86 0.54 6.13 3.68 0.96 -4.90 116.67 127.63 1p57 s ASP 22 Ca 0.51 -1.82 0.31 0.00 2.13 0.00 0.00 52.55 53.67 1p57 s ASP 22 Cb -0.39 -1.68 1.55 0.00 -1.45 0.00 0.00 42.92 40.95 1p57 s ASP 22 CO 0.48 -0.36 2.09 0.07 0.13 0.00 0.00 175.17 177.57 1p57 h LYS 23 N 7.82 0.00 0.00 4.34 2.10 -1.95 0.18 116.57 129.07 1p57 h LYS 23 Ca -0.12 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.53 1p57 h LYS 23 Cb 1.04 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.37 1p57 h LYS 23 CO 0.56 0.09 0.00 1.79 -2.00 0.00 0.00 179.45 179.88 1p57 h THR 24 N 0.00 0.00 0.00 0.07 1.35 -1.95 -3.30 112.91 109.08 1p57 h THR 24 Ca -0.00 -0.58 -0.11 0.00 -0.55 0.00 0.00 66.41 65.17 1p57 h THR 24 Cb 0.34 1.52 -0.02 0.00 -1.73 0.00 0.00 68.15 68.26 1p57 h THR 24 CO 0.01 0.00 -1.48 -0.62 -0.25 0.00 0.00 175.52 173.18 1p57 n GLU 25 N -2.63 2.39 -1.34 4.72 1.02 -0.93 -5.00 120.64 118.86 1p57 n GLU 25 Ca 0.04 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 1p57 n GLU 25 Cb 0.40 -1.19 0.00 0.00 -0.02 0.00 0.00 31.44 30.63 1p57 n GLU 25 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1p57 n GLY 26 N 2.47 0.50 3.46 0.62 0.00 0.59 -5.04 105.19 107.80 1p57 n GLY 26 Ca -0.10 -0.88 -0.22 0.00 0.00 0.00 0.00 46.02 44.81 1p57 n GLY 26 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1p57 s THR 27 N -2.00 1.66 0.05 2.61 -4.23 -1.13 -4.96 115.64 107.65 1p57 s THR 27 Ca 0.00 -2.10 0.01 0.00 -1.18 0.00 0.00 61.69 58.42 1p57 s THR 27 Cb 0.00 -2.59 -0.04 0.00 1.34 0.00 0.00 72.50 71.21 1p57 s THR 27 CO 0.00 -0.21 0.13 0.26 -0.54 0.00 0.00 174.62 174.27 1p57 s TRP 28 N -2.99 3.34 0.18 3.99 0.52 -1.26 -0.03 118.94 122.69 1p57 s TRP 28 Ca 0.32 0.18 0.07 0.00 0.02 0.00 0.00 56.10 56.69 1p57 s TRP 28 Cb 0.05 -1.70 -0.04 0.00 -1.15 0.00 0.00 33.47 30.63 1p57 s TRP 28 CO 0.14 0.56 -0.15 1.03 0.02 0.00 0.00 176.95 178.55 1p57 s ARG 29 N -2.31 1.25 0.56 4.98 0.52 0.36 -0.80 118.95 123.51 1p57 s ARG 29 Ca 0.30 -1.49 -0.03 0.00 -0.52 0.00 0.00 55.73 53.99 1p57 s ARG 29 Cb -0.12 -1.09 0.01 0.00 0.52 0.00 0.00 34.95 34.27 1p57 s ARG 29 CO 0.23 0.19 0.83 -0.51 0.02 0.00 0.00 175.30 176.06 1p57 s LEU 30 N -3.05 3.31 -0.29 2.53 1.02 -0.69 -0.97 118.68 120.54 1p57 s LEU 30 Ca 0.19 0.46 -0.07 0.00 0.02 0.00 0.00 54.13 54.72 1p57 s LEU 30 Cb -0.02 -3.28 0.01 0.00 0.02 0.00 0.00 46.19 42.91 1p57 s LEU 30 CO 0.06 -1.03 0.08 -0.76 0.02 0.00 0.00 176.35 174.72 1p57 s LEU 31 N -4.86 3.84 0.23 1.79 1.43 -1.26 -1.00 118.68 118.85 1p57 s LEU 31 Ca 0.53 -0.68 -0.31 0.00 -1.03 0.00 0.00 54.13 52.65 1p57 s LEU 31 Cb -0.10 -1.89 -0.10 0.00 0.03 0.00 0.00 46.19 44.12 1p57 s LEU 31 CO 0.42 -0.19 1.53 0.00 0.23 0.00 0.00 176.35 178.34 1p57 s SER 33 N 0.66 5.86 0.30 0.00 0.15 -0.27 -4.72 113.70 115.68 1p57 s SER 33 Ca 0.64 2.91 -0.06 0.00 0.70 0.00 0.00 55.95 60.14 1p57 s SER 33 Cb -0.44 -2.65 0.00 0.00 -1.71 0.00 0.00 66.02 61.21 1p57 s SER 33 CO 0.40 -1.19 0.47 -0.94 1.20 0.00 0.00 173.24 173.18 1p57 s SER 34 N -0.53 0.49 0.58 5.45 1.04 -1.26 -4.99 113.70 114.48 1p57 s SER 34 Ca 0.61 -1.29 0.36 0.00 0.48 0.00 0.00 55.95 56.12 1p57 s SER 34 Cb -0.44 0.63 1.62 0.00 0.10 0.00 0.00 66.02 67.93 1p57 s SER 34 CO 0.56 -1.24 2.07 0.03 0.98 0.00 0.00 173.24 175.65 1p57 h ARG 35 N 2.19 0.00 -0.75 4.02 3.08 -2.00 -2.70 114.38 118.23 1p57 h ARG 35 Ca -0.28 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.72 1p57 h ARG 35 Cb 1.24 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.27 1p57 h ARG 35 CO 0.39 0.00 0.06 -1.13 -1.07 0.00 0.00 179.97 178.22 1p57 n SER 36 N -3.07 4.23 -0.30 7.04 3.41 -1.26 -4.62 113.62 119.05 1p57 n SER 36 Ca -0.00 -2.72 0.13 0.00 -0.26 0.00 0.00 58.87 56.03 1p57 n SER 36 Cb 0.25 -0.65 0.30 0.00 -0.26 0.00 0.00 64.21 63.85 1p57 n SER 36 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1p57 h ASN 37 N 2.53 0.00 -0.67 4.04 2.35 -1.88 -0.84 115.58 121.11 1p57 h ASN 37 Ca 0.06 0.20 0.01 0.00 -0.55 0.00 0.00 56.30 56.02 1p57 h ASN 37 Cb 1.65 0.27 -0.03 0.00 0.05 0.00 0.00 38.32 40.25 1p57 h ASN 37 CO 0.40 -0.16 0.44 0.00 -1.65 0.00 0.00 177.43 176.46 1p57 h ALA 38 N 1.79 0.85 -0.03 -0.83 0.00 -1.88 0.15 119.26 119.31 1p57 h ALA 38 Ca 0.56 -0.05 -0.20 0.00 0.00 0.00 0.00 54.91 55.22 1p57 h ALA 38 Cb 1.14 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1p57 h ALA 38 CO -0.66 0.27 -0.85 -0.09 0.00 0.00 0.00 179.25 177.92 1p57 h ARG 39 N 0.91 0.37 -0.42 0.00 9.65 -1.71 -1.78 114.38 121.40 1p57 h ARG 39 Ca 0.25 -0.36 -0.14 0.00 -1.10 0.00 0.00 59.98 58.62 1p57 h ARG 39 Cb -0.10 0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 28.56 1p57 h ARG 39 CO -0.06 1.03 -0.30 0.28 2.80 0.00 0.00 179.97 183.72 1p57 h VAL 40 N 0.23 1.27 -0.13 0.20 2.07 -0.81 -0.17 116.25 118.91 1p57 h VAL 40 Ca -0.05 -1.47 -0.01 0.00 0.82 0.00 0.00 66.70 65.99 1p57 h VAL 40 Cb 1.46 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 32.48 1p57 h VAL 40 CO 0.14 0.50 0.06 0.00 0.02 0.00 0.00 177.57 178.29 1p57 h ALA 41 N 0.85 0.17 0.24 1.67 0.00 -0.66 -1.02 119.26 120.51 1p57 h ALA 41 Ca 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1p57 h ALA 41 Cb 0.88 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1p57 h ALA 41 CO 0.08 -0.25 -0.21 0.78 0.00 0.00 0.00 179.25 179.65 1p57 h GLY 42 N 0.06 -0.48 0.78 0.00 0.00 -1.22 -2.12 103.07 100.10 1p57 h GLY 42 Ca 0.04 0.24 0.04 0.00 0.00 0.00 0.00 47.33 47.65 1p57 h GLY 42 CO -0.00 -0.20 0.33 -2.00 0.00 0.00 0.00 176.54 174.66 1p57 h LEU 43 N -0.47 0.51 -0.51 3.11 5.85 -0.97 -2.14 115.31 120.69 1p57 h LEU 43 Ca -0.01 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1p57 h LEU 43 Cb 0.43 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 1p57 h LEU 43 CO -0.03 0.35 0.34 0.28 -0.34 0.00 0.00 178.44 179.03 1p57 h SER 44 N 0.64 0.58 -0.13 1.25 0.02 -0.99 -1.00 113.55 113.92 1p57 h SER 44 Ca 0.25 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.17 1p57 h SER 44 Cb 0.10 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 1p57 h SER 44 CO -0.14 0.42 0.04 0.00 -1.14 0.00 0.00 176.83 176.01 1p57 h GLU 46 N 0.02 -0.20 -0.81 0.00 5.08 -1.18 -0.44 114.58 117.05 1p57 h GLU 46 Ca 0.04 0.01 0.19 0.00 -1.00 0.00 0.00 59.36 58.60 1p57 h GLU 46 Cb 0.22 0.05 -0.12 0.00 0.50 0.00 0.00 28.75 29.40 1p57 h GLU 46 CO -0.00 -0.13 0.25 1.49 -1.00 0.00 0.00 179.01 179.62 1p57 h GLU 47 N -0.21 0.30 -0.00 2.33 4.57 -1.11 0.62 114.58 121.09 1p57 h GLU 47 Ca 0.11 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.28 1p57 h GLU 47 Cb 0.38 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.90 1p57 h GLU 47 CO -0.30 0.20 -0.02 -1.33 -1.18 0.00 0.00 179.01 176.38 1p57 n MET 48 N -5.12 0.44 -0.15 1.92 2.81 -0.92 -4.89 117.12 111.21 1p57 n MET 48 Ca 0.17 -0.03 0.00 0.00 -1.81 0.00 0.00 57.70 56.04 1p57 n MET 48 Cb 0.54 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.55 1p57 n MET 48 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1p57 n GLY 49 N 1.29 0.92 3.96 3.03 0.00 0.21 -5.09 105.19 109.52 1p57 n GLY 49 Ca 0.14 -0.07 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 1p57 n GLY 49 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1p57 s PHE 50 N -2.00 3.29 -0.06 1.61 0.40 -0.22 -5.00 117.98 116.00 1p57 s PHE 50 Ca 0.00 0.12 -0.24 0.00 -0.60 0.00 0.00 56.93 56.20 1p57 s PHE 50 Cb 0.00 -2.04 -0.26 0.00 0.51 0.00 0.00 43.02 41.23 1p57 s PHE 50 CO 0.00 -0.06 0.96 1.25 0.70 0.00 0.00 175.22 178.07 1p57 h LEU 51 N 0.70 0.26 -8.18 -0.37 5.85 -1.82 -3.31 115.31 108.44 1p57 h LEU 51 Ca -0.48 -0.86 -0.06 0.00 0.84 0.00 0.00 57.88 57.32 1p57 h LEU 51 Cb 1.24 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 42.14 1p57 h LEU 51 CO 0.58 1.08 0.06 0.00 -0.34 0.00 0.00 178.44 179.82 1p57 s ARG 52 N -2.81 1.89 -0.19 1.25 1.70 -1.26 -4.60 118.95 114.92 1p57 s ARG 52 Ca -0.16 -1.36 -0.11 0.00 -0.47 0.00 0.00 55.73 53.63 1p57 s ARG 52 Cb 0.00 0.54 -0.05 0.00 -0.57 0.00 0.00 34.95 34.88 1p57 s ARG 52 CO 0.76 -0.84 0.17 0.00 -1.08 0.00 0.00 175.30 174.32 1p57 s ALA 53 N -3.28 3.66 -0.01 7.88 0.00 -1.26 -0.71 121.76 128.05 1p57 s ALA 53 Ca 0.20 -0.63 -0.16 0.00 0.00 0.00 0.00 51.96 51.36 1p57 s ALA 53 Cb -0.03 -2.23 -0.33 0.00 0.00 0.00 0.00 23.12 20.52 1p57 s ALA 53 CO 0.12 0.13 0.89 -0.07 0.00 0.00 0.00 175.76 176.82 1p57 h LEU 54 N 6.70 0.70 -7.99 0.00 3.38 0.52 -3.47 115.31 115.16 1p57 h LEU 54 Ca -0.41 -0.93 0.03 0.00 0.09 0.00 0.00 57.88 56.66 1p57 h LEU 54 Cb 1.15 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 1p57 h LEU 54 CO 0.76 1.66 0.27 0.28 0.09 0.00 0.00 178.44 181.50 1p57 s THR 55 N -2.55 0.00 0.11 0.22 -1.32 -1.05 -5.02 115.64 106.02 1p57 s THR 55 Ca -0.12 -0.98 -0.17 0.00 -1.21 0.00 0.00 61.69 59.21 1p57 s THR 55 Cb 0.04 -2.52 0.04 0.00 -1.51 0.00 0.00 72.50 68.55 1p57 s THR 55 CO 0.90 0.00 0.43 -1.38 -2.21 0.00 0.00 174.62 172.36 1p57 s HIS 56 N -2.95 -0.26 0.35 9.09 -3.43 -1.26 -0.61 115.29 116.21 1p57 s HIS 56 Ca 0.14 0.03 0.00 0.00 -0.80 0.00 0.00 55.06 54.43 1p57 s HIS 56 Cb -0.05 0.29 -0.00 0.00 -1.43 0.00 0.00 32.58 31.38 1p57 s HIS 56 CO 0.09 -0.69 0.44 -1.13 -2.00 0.00 0.00 174.74 171.46 1p57 n SER 57 N -0.08 -1.22 -4.32 7.38 3.41 -0.48 -4.98 113.62 113.33 1p57 n SER 57 Ca -0.17 -2.99 -0.32 0.00 -0.26 0.00 0.00 58.87 55.13 1p57 n SER 57 Cb 0.63 2.36 -0.15 0.00 -0.26 0.00 0.00 64.21 66.79 1p57 n SER 57 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1p57 s GLU 58 N -2.94 2.80 0.34 4.33 2.12 -1.26 -1.50 118.70 122.59 1p57 s GLU 58 Ca 0.32 -0.81 0.08 0.00 0.36 0.00 0.00 54.97 54.92 1p57 s GLU 58 Cb -0.00 -2.33 -0.04 0.00 0.26 0.00 0.00 34.13 32.02 1p57 s GLU 58 CO 0.23 0.36 0.18 -0.51 -0.54 0.00 0.00 175.26 174.98 1p57 s LEU 59 N -0.08 3.33 -0.14 2.70 1.43 0.95 -4.91 118.68 121.95 1p57 s LEU 59 Ca -0.05 -0.73 0.02 0.00 -1.03 0.00 0.00 54.13 52.34 1p57 s LEU 59 Cb -0.14 -1.83 0.01 0.00 0.03 0.00 0.00 46.19 44.26 1p57 s LEU 59 CO 0.04 -0.33 -0.19 -0.62 0.23 0.00 0.00 176.35 175.48 1p57 s ASP 60 N -3.89 2.91 0.27 2.29 -1.08 -1.26 -1.25 116.67 114.67 1p57 s ASP 60 Ca 0.39 -0.56 -0.00 0.00 -0.52 0.00 0.00 52.55 51.86 1p57 s ASP 60 Cb -0.03 -1.34 0.49 0.00 -1.46 0.00 0.00 42.92 40.58 1p57 s ASP 60 CO 0.24 0.04 1.85 1.62 0.52 0.00 0.00 175.17 179.44 1p57 h VAL 61 N 5.90 0.99 0.00 1.11 3.04 -1.36 0.18 116.25 126.10 1p57 h VAL 61 Ca -0.35 -0.37 0.00 0.00 -1.01 0.00 0.00 66.70 64.98 1p57 h VAL 61 Cb 1.17 -0.17 0.00 0.00 -2.01 0.00 0.00 31.29 30.28 1p57 h VAL 61 CO 0.55 0.19 0.00 0.03 -1.01 0.00 0.00 177.57 177.33 1p57 h ARG 62 N 1.07 0.00 0.00 4.17 3.08 -1.87 0.21 114.38 121.03 1p57 h ARG 62 Ca 0.47 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.44 1p57 h ARG 62 Cb 0.36 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 1p57 h ARG 62 CO -0.23 0.00 -1.30 0.25 -1.07 0.00 0.00 179.97 177.62 1p57 n THR 63 N -2.39 0.29 -0.06 2.04 -2.24 -0.52 -4.76 114.28 106.64 1p57 n THR 63 Ca -0.01 -0.18 -0.02 0.00 -2.27 0.00 0.00 64.05 61.57 1p57 n THR 63 Cb 0.10 -0.81 -0.16 0.00 -2.10 0.00 0.00 70.33 67.36 1p57 n THR 63 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1p57 n ALA 64 N -2.14 2.00 0.00 6.98 0.00 0.53 -5.03 120.51 122.86 1p57 n ALA 64 Ca -0.07 -1.02 0.00 0.00 0.00 0.00 0.00 53.44 52.35 1p57 n ALA 64 Cb 0.62 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.66 1p57 n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p57 n GLY 65 N 1.56 -3.06 0.10 0.00 0.00 0.72 -4.74 105.19 99.77 1p57 n GLY 65 Ca -0.22 -2.00 -0.11 0.00 0.00 0.00 0.00 46.02 43.69 1p57 n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p57 n ALA 66 N 0.39 1.49 -2.40 4.61 0.00 -1.26 -4.51 120.51 118.82 1p57 n ALA 66 Ca 0.00 -1.26 -0.20 0.00 0.00 0.00 0.00 53.44 51.98 1p57 n ALA 66 Cb 0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 19.45 19.22 1p57 n ALA 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1p57 n ALA 67 N -2.80 -0.60 -1.72 0.00 0.00 -1.26 -3.37 120.51 110.75 1p57 n ALA 67 Ca -0.33 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1p57 n ALA 67 Cb 1.13 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 18.40 1p57 n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p57 n GLY 68 N -1.04 0.96 3.63 0.00 0.00 -1.26 -5.09 105.19 102.38 1p57 n GLY 68 Ca -0.23 -0.47 -0.27 0.00 0.00 0.00 0.00 46.02 45.05 1p57 n GLY 68 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1p57 s THR 69 N -2.68 2.10 -0.49 2.61 -4.23 -1.22 -4.65 115.64 107.08 1p57 s THR 69 Ca 0.00 -1.99 0.03 0.00 -1.18 0.00 0.00 61.69 58.56 1p57 s THR 69 Cb 0.00 -2.94 0.15 0.00 1.34 0.00 0.00 72.50 71.05 1p57 s THR 69 CO 0.00 -0.04 0.32 -0.44 -0.54 0.00 0.00 174.62 173.93 1p57 s SER 70 N -3.72 3.29 0.00 3.99 0.01 0.02 -4.97 113.70 112.32 1p57 s SER 70 Ca 0.35 -3.00 0.00 0.00 1.31 0.00 0.00 55.95 54.61 1p57 s SER 70 Cb 0.08 -0.98 0.00 0.00 0.21 0.00 0.00 66.02 65.33 1p57 s SER 70 CO 0.18 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.24 1p57 n GLY 71 N 3.03 -2.39 3.29 3.44 0.00 -1.26 -4.70 105.19 106.59 1p57 n GLY 71 Ca 0.17 -2.06 -0.16 0.00 0.00 0.00 0.00 46.02 43.97 1p57 n GLY 71 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1p57 s PHE 72 N -0.27 1.43 0.06 1.61 0.40 -1.26 -1.71 117.98 118.25 1p57 s PHE 72 Ca 0.00 -0.71 0.07 0.00 -0.60 0.00 0.00 56.93 55.69 1p57 s PHE 72 Cb 0.00 -0.72 -0.03 0.00 0.51 0.00 0.00 43.02 42.78 1p57 s PHE 72 CO 0.00 0.16 -0.19 -0.06 0.70 0.00 0.00 175.22 175.83 1p57 s PHE 73 N -3.22 1.68 0.07 0.36 0.08 -0.17 -2.19 117.98 114.58 1p57 s PHE 73 Ca 0.20 -0.39 0.07 0.00 0.12 0.00 0.00 56.93 56.92 1p57 s PHE 73 Cb 0.02 -0.97 -0.03 0.00 -0.57 0.00 0.00 43.02 41.47 1p57 s PHE 73 CO 0.03 0.12 -0.18 0.00 -0.10 0.00 0.00 175.22 175.09 1p57 s VAL 75 N -1.07 5.46 -0.82 0.00 0.11 -1.26 -1.15 120.40 121.67 1p57 s VAL 75 Ca 0.03 0.23 -0.24 0.00 -2.93 0.00 0.00 61.98 59.07 1p57 s VAL 75 Cb -0.09 -3.43 0.06 0.00 -1.53 0.00 0.00 36.38 31.38 1p57 s VAL 75 CO 0.03 0.56 1.25 -0.62 -3.33 0.00 0.00 175.10 172.98 1p57 s ASP 76 N -0.56 6.31 0.57 3.54 -1.08 -0.11 -4.82 116.67 120.52 1p57 s ASP 76 Ca 0.13 -1.02 0.27 0.00 -0.52 0.00 0.00 52.55 51.41 1p57 s ASP 76 Cb -0.12 -2.52 1.62 0.00 -1.46 0.00 0.00 42.92 40.44 1p57 s ASP 76 CO 0.02 -1.58 2.13 -0.33 0.52 0.00 0.00 175.17 175.93 1p57 h GLU 77 N 9.74 0.00 0.00 4.34 5.08 -1.95 0.31 114.58 132.10 1p57 h GLU 77 Ca -0.10 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.13 1p57 h GLU 77 Cb 1.04 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.27 1p57 h GLU 77 CO 1.28 0.00 -0.63 0.78 -1.00 0.00 0.00 179.01 179.44 1p57 h GLY 78 N 0.00 0.00 0.45 -3.84 0.00 -1.99 -3.21 103.07 94.48 1p57 h GLY 78 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.27 1p57 h GLY 78 CO -0.00 0.00 -1.76 -2.13 0.00 0.00 0.00 176.54 172.65 1p57 n ARG 79 N -3.59 0.65 -0.27 4.80 0.63 -0.67 -4.50 116.66 113.71 1p57 n ARG 79 Ca -0.00 0.02 -0.01 0.00 -0.92 0.00 0.00 57.85 56.94 1p57 n ARG 79 Cb 0.67 -1.65 0.03 0.00 0.45 0.00 0.00 32.46 31.95 1p57 n ARG 79 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 1p57 n LEU 80 N -2.62 -0.46 0.00 6.15 0.00 0.01 -0.32 117.00 119.76 1p57 n LEU 80 Ca -0.11 1.22 0.02 0.00 0.00 0.00 0.00 56.01 57.13 1p57 n LEU 80 Cb 0.78 -0.28 0.10 0.00 0.00 0.00 0.00 43.42 44.02 1p57 n LEU 80 CO 0.44 -1.10 0.46 -2.65 0.00 0.00 0.00 177.39 174.54 1p57 n PRO 81 N -5.03 0.77 0.00 1.96 -0.02 -1.26 -2.11 135.00 129.31 1p57 n PRO 81 Ca 0.07 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.59 1p57 n PRO 81 Cb 0.28 -1.07 0.03 0.00 -0.02 0.00 0.00 33.50 32.72 1p57 n PRO 81 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1p57 n HIS 82 N -0.57 0.00 -3.34 6.00 8.25 0.56 -5.04 115.22 121.08 1p57 n HIS 82 Ca 0.03 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.28 1p57 n HIS 82 Cb 0.01 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.12 1p57 n HIS 82 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1p57 s THR 83 N -0.78 4.19 0.00 1.59 2.01 -0.90 -4.97 115.64 116.79 1p57 s THR 83 Ca 0.10 -0.80 0.00 0.00 0.31 0.00 0.00 61.69 61.29 1p57 s THR 83 Cb 0.07 -3.49 0.00 0.00 0.01 0.00 0.00 72.50 69.09 1p57 s THR 83 CO 0.12 -0.25 0.00 1.67 -0.69 0.00 0.00 174.62 175.47 1p57 n GLN 84 N -1.78 1.64 -4.88 4.92 7.27 -1.26 -5.02 117.38 118.27 1p57 n GLN 84 Ca -0.01 0.00 -0.32 0.00 0.07 0.00 0.00 57.00 56.75 1p57 n GLN 84 Cb 0.58 -0.82 -0.17 0.00 2.41 0.00 0.00 30.24 32.24 1p57 n GLN 84 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 1p57 s ARG 85 N -1.65 2.89 0.16 3.69 0.52 -1.26 -4.88 118.95 118.42 1p57 s ARG 85 Ca 0.00 -0.82 -0.19 0.00 -0.52 0.00 0.00 55.73 54.20 1p57 s ARG 85 Cb 0.00 -2.28 0.06 0.00 0.52 0.00 0.00 34.95 33.25 1p57 s ARG 85 CO 0.00 0.07 1.66 1.25 0.02 0.00 0.00 175.30 178.29 1p57 h LEU 86 N 7.05 -0.49 -1.90 2.53 5.85 -1.95 -2.68 115.31 123.72 1p57 h LEU 86 Ca -0.26 0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.60 1p57 h LEU 86 Cb 1.21 0.27 -0.00 0.00 0.37 0.00 0.00 40.66 42.51 1p57 h LEU 86 CO 0.51 -0.18 0.39 -0.07 -0.34 0.00 0.00 178.44 178.75 1p57 h LEU 87 N -0.10 0.00 -1.25 2.25 4.07 -1.97 -1.76 115.31 116.56 1p57 h LEU 87 Ca 0.16 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.12 1p57 h LEU 87 Cb 0.34 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.08 1p57 h LEU 87 CO -0.37 0.00 0.00 -1.84 -1.08 0.00 0.00 178.44 175.15 1p57 n GLU 88 N -3.06 1.81 -0.49 1.13 0.28 -1.01 -3.83 120.64 115.48 1p57 n GLU 88 Ca 0.00 -1.23 0.05 0.00 -0.16 0.00 0.00 57.16 55.82 1p57 n GLU 88 Cb 0.47 -1.39 0.08 0.00 1.43 0.00 0.00 31.44 32.04 1p57 n GLU 88 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30 1p57 n VAL 89 N 0.46 1.01 -4.37 3.84 0.24 -0.66 -5.05 118.33 113.79 1p57 n VAL 89 Ca 0.16 -1.43 -0.30 0.00 -2.04 0.00 0.00 64.34 60.73 1p57 n VAL 89 Cb 0.35 0.19 -0.11 0.00 -1.47 0.00 0.00 33.84 32.80 1p57 n VAL 89 CO 0.00 0.00 0.00 -0.51 -2.14 0.00 0.00 176.83 174.18 1p57 s ILE 90 N -1.52 2.95 0.04 1.34 2.07 -1.24 -0.93 121.20 123.91 1p57 s ILE 90 Ca 0.22 -1.37 -0.07 0.00 -1.41 0.00 0.00 60.65 58.02 1p57 s ILE 90 Cb 0.21 -2.33 -0.01 0.00 0.13 0.00 0.00 42.46 40.46 1p57 s ILE 90 CO -0.02 0.16 0.12 -0.94 -1.91 0.00 0.00 174.94 172.35 1p57 s SER 91 N -1.98 0.14 0.54 4.50 1.04 -0.30 -4.93 113.70 112.71 1p57 s SER 91 Ca 0.18 -0.50 -0.19 0.00 0.48 0.00 0.00 55.95 55.92 1p57 s SER 91 Cb -0.11 0.25 -0.06 0.00 0.10 0.00 0.00 66.02 66.20 1p57 s SER 91 CO 0.10 -0.53 1.12 -0.69 0.98 0.00 0.00 173.24 174.22 1p57 s VAL 92 N -2.65 3.24 0.34 5.02 1.01 -1.26 0.20 120.40 126.29 1p57 s VAL 92 Ca -0.05 0.77 -0.11 0.00 0.00 0.00 0.00 61.98 62.59 1p57 s VAL 92 Cb -0.01 -3.31 0.02 0.00 0.00 0.00 0.00 36.38 33.09 1p57 s VAL 92 CO -0.05 -0.17 0.63 0.00 0.00 0.00 0.00 175.10 175.51 1p57 n ASP 94 N -1.13 0.91 -3.56 0.00 8.00 -1.26 -4.19 116.55 115.32 1p57 n ASP 94 Ca -0.04 0.40 -0.25 0.00 0.71 0.00 0.00 54.79 55.61 1p57 n ASP 94 Cb 0.61 -0.08 0.04 0.00 -0.02 0.00 0.00 41.12 41.66 1p57 n ASP 94 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1p57 h PRO 96 N -1.40 0.60 0.00 0.00 0.13 -1.98 0.16 132.00 129.51 1p57 h PRO 96 Ca -0.58 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 1p57 h PRO 96 Cb 1.32 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1p57 h PRO 96 CO 0.45 0.40 0.00 0.54 -0.23 0.00 0.00 178.00 179.15 1p57 n ARG 97 N -4.86 0.09 -2.89 0.86 1.74 -1.26 -4.86 116.66 105.48 1p57 n ARG 97 Ca 0.26 0.22 -0.18 0.00 -0.77 0.00 0.00 57.85 57.38 1p57 n ARG 97 Cb 0.70 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.64 1p57 n ARG 97 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1p57 n GLY 98 N -0.20 -0.50 3.26 -0.13 0.00 0.55 -4.90 105.19 103.28 1p57 n GLY 98 Ca 0.05 0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 1p57 n GLY 98 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1p57 s ARG 99 N -5.51 3.18 0.33 1.61 0.52 -1.26 -1.15 118.95 116.66 1p57 s ARG 99 Ca 0.20 -0.79 0.06 0.00 -0.52 0.00 0.00 55.73 54.68 1p57 s ARG 99 Cb -0.10 -2.48 -0.07 0.00 0.52 0.00 0.00 34.95 32.82 1p57 s ARG 99 CO 0.25 0.13 -0.01 -0.59 0.02 0.00 0.00 175.30 175.09 1p57 s PHE 100 N 0.52 2.14 0.07 -0.53 -0.12 -0.38 -1.11 117.98 118.56 1p57 s PHE 100 Ca -0.12 -0.75 -0.19 0.00 -0.05 0.00 0.00 56.93 55.82 1p57 s PHE 100 Cb -0.16 -1.35 -0.07 0.00 -0.63 0.00 0.00 43.02 40.80 1p57 s PHE 100 CO 0.05 0.27 0.55 -1.17 -0.05 0.00 0.00 175.22 174.87 1p57 s LEU 101 N -3.54 4.52 -0.01 -1.99 2.96 -0.49 -0.04 118.68 120.10 1p57 s LEU 101 Ca 0.33 1.23 0.07 0.00 -0.22 0.00 0.00 54.13 55.54 1p57 s LEU 101 Cb 0.07 -2.88 -0.02 0.00 0.50 0.00 0.00 46.19 43.86 1p57 s LEU 101 CO 0.15 0.28 -0.22 0.00 -1.32 0.00 0.00 176.35 175.24 1p57 s ALA 102 N -1.12 1.82 -0.03 5.97 0.00 -0.56 -1.93 121.76 125.91 1p57 s ALA 102 Ca 0.29 -0.97 0.01 0.00 0.00 0.00 0.00 51.96 51.29 1p57 s ALA 102 Cb -0.19 -0.45 0.02 0.00 0.00 0.00 0.00 23.12 22.50 1p57 s ALA 102 CO 0.18 0.44 -0.04 0.00 0.00 0.00 0.00 175.76 176.35 1p57 s ALA 103 N -0.56 0.54 -0.41 0.00 0.00 0.13 -1.38 121.76 120.08 1p57 s ALA 103 Ca 0.08 -0.03 -0.12 0.00 0.00 0.00 0.00 51.96 51.90 1p57 s ALA 103 Cb -0.09 -0.33 0.05 0.00 0.00 0.00 0.00 23.12 22.76 1p57 s ALA 103 CO -0.00 0.00 0.27 0.42 0.00 0.00 0.00 175.76 176.45 1p57 s ILE 104 N 0.73 4.68 0.35 0.00 -1.09 0.22 -4.78 121.20 121.31 1p57 s ILE 104 Ca -0.09 -1.05 0.01 0.00 -2.23 0.00 0.00 60.65 57.29 1p57 s ILE 104 Cb -0.12 -3.73 -0.03 0.00 -1.58 0.00 0.00 42.46 37.00 1p57 s ILE 104 CO -0.00 -0.40 0.55 0.00 -1.23 0.00 0.00 174.94 173.85 1p57 s GLN 106 N -4.32 4.28 0.56 0.00 0.74 0.12 -4.69 119.66 116.34 1p57 s GLN 106 Ca 0.41 2.04 -0.19 0.00 0.05 0.00 0.00 55.36 57.67 1p57 s GLN 106 Cb -0.10 -3.51 -0.05 0.00 1.10 0.00 0.00 33.01 30.45 1p57 s GLN 106 CO 0.36 -0.57 1.14 0.34 -0.55 0.00 0.00 175.29 176.00 1p57 s ASP 107 N 1.81 5.61 0.18 6.67 2.15 -1.26 -4.52 116.67 127.31 1p57 s ASP 107 Ca 0.65 2.20 -0.24 0.00 0.43 0.00 0.00 52.55 55.59 1p57 s ASP 107 Cb -0.34 -2.58 0.05 0.00 -0.30 0.00 0.00 42.92 39.75 1p57 s ASP 107 CO 0.28 -1.29 0.86 0.00 -0.17 0.00 0.00 175.17 174.85 1p57 n GLY 109 N -0.44 1.45 3.11 0.00 0.00 -1.26 -5.00 105.19 103.04 1p57 n GLY 109 Ca -0.06 -0.09 -0.21 0.00 0.00 0.00 0.00 46.02 45.65 1p57 n GLY 109 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1p57 s ARG 110 N -3.86 1.03 0.38 1.61 0.52 -1.26 -5.13 118.95 112.24 1p57 s ARG 110 Ca 0.00 -0.57 -0.15 0.00 -0.52 0.00 0.00 55.73 54.49 1p57 s ARG 110 Cb 0.00 -1.01 -0.09 0.00 0.52 0.00 0.00 34.95 34.38 1p57 s ARG 110 CO 0.00 0.27 0.81 1.03 0.02 0.00 0.00 175.30 177.43 1p57 s ARG 111 N -0.58 3.98 -0.16 3.54 0.52 -1.26 -4.99 118.95 120.00 1p57 s ARG 111 Ca 0.04 0.73 0.18 0.00 -0.52 0.00 0.00 55.73 56.15 1p57 s ARG 111 Cb -0.06 -2.34 0.41 0.00 0.52 0.00 0.00 34.95 33.47 1p57 s ARG 111 CO 0.00 0.03 1.28 1.63 0.02 0.00 0.00 175.30 178.26 1p57 n LYS 112 N -0.79 2.04 -2.81 3.54 4.76 -1.26 -5.03 118.16 118.61 1p57 n LYS 112 Ca 0.04 -2.73 -0.28 0.00 -2.87 0.00 0.00 58.31 52.47 1p57 n LYS 112 Cb 0.54 -1.67 -0.01 0.00 -1.84 0.00 0.00 35.03 32.04 1p57 n LYS 112 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1p57 s LEU 113 N -2.88 3.75 0.00 -0.35 1.43 -1.26 -5.36 118.68 114.02 1p57 s LEU 113 Ca 0.37 0.95 0.00 0.00 -1.03 0.00 0.00 54.13 54.42 1p57 s LEU 113 Cb 0.31 -3.86 0.00 0.00 0.03 0.00 0.00 46.19 42.67 1p57 s LEU 113 CO 0.05 -0.47 0.27 -2.65 0.23 0.00 0.00 176.35 173.79