#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jv8 s PRO 2 N 0.00 0.54 -0.01 2.89 0.04 -1.26 -4.98 135.00 132.22 1jv8 s PRO 2 Ca 0.00 0.90 0.22 0.00 0.04 0.00 0.00 61.00 62.16 1jv8 s PRO 2 Cb 0.00 -1.72 -0.30 0.00 0.04 0.00 0.00 34.50 32.52 1jv8 s PRO 2 CO 0.00 -2.76 0.58 -3.47 0.04 0.00 0.00 177.00 171.39 1jv8 n ASP 3 N -4.25 0.19 0.29 6.66 2.03 -1.26 -4.18 116.55 116.03 1jv8 n ASP 3 Ca 0.06 -0.12 0.18 0.00 0.52 0.00 0.00 54.79 55.43 1jv8 n ASP 3 Cb 0.55 1.77 0.85 0.00 -0.72 0.00 0.00 41.12 43.56 1jv8 n ASP 3 CO 0.00 0.00 0.00 2.19 -1.92 0.00 0.00 177.20 177.47 1jv8 h PHE 4 N 0.00 0.00 0.00 -0.67 -5.15 -1.95 -1.14 116.94 108.03 1jv8 h PHE 4 Ca 0.00 0.00 -0.05 0.00 -0.20 0.00 0.00 57.97 57.72 1jv8 h PHE 4 Cb 0.93 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.09 1jv8 h PHE 4 CO 0.00 0.04 -0.70 0.00 -2.00 0.00 0.00 178.31 175.65 1jv8 h LEU 6 N 0.00 0.00-10.46 0.00 3.38 -1.39 -3.35 115.31 103.48 1jv8 h LEU 6 Ca -0.03 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.45 1jv8 h LEU 6 Cb 1.18 0.00 0.08 0.00 0.09 0.00 0.00 40.66 42.01 1jv8 h LEU 6 CO 0.02 0.31 0.41 -0.70 0.09 0.00 0.00 178.44 178.57 1jv8 s GLU 7 N -3.45 2.90 0.87 1.13 2.12 -1.10 -4.29 118.70 116.88 1jv8 s GLU 7 Ca 0.02 0.50 -0.12 0.00 0.36 0.00 0.00 54.97 55.73 1jv8 s GLU 7 Cb 0.09 -2.02 0.11 0.00 0.26 0.00 0.00 34.13 32.58 1jv8 s GLU 7 CO 0.67 -1.01 1.11 -1.25 -0.54 0.00 0.00 175.26 174.24 1jv8 s PRO 8 N -5.33 1.47 1.06 4.30 0.04 -1.26 -4.75 135.00 130.54 1jv8 s PRO 8 Ca 0.58 0.50 -0.14 0.00 0.04 0.00 0.00 61.00 61.98 1jv8 s PRO 8 Cb -0.11 -1.86 0.22 0.00 0.04 0.00 0.00 34.50 32.79 1jv8 s PRO 8 CO 0.52 -2.02 1.10 -1.25 0.04 0.00 0.00 177.00 175.40 1jv8 s PRO 9 N -5.17 -0.09 -0.33 0.56 0.04 -1.26 -4.95 135.00 123.80 1jv8 s PRO 9 Ca 0.63 0.30 -0.01 0.00 0.04 0.00 0.00 61.00 61.96 1jv8 s PRO 9 Cb -0.15 -1.70 0.13 0.00 0.04 0.00 0.00 34.50 32.82 1jv8 s PRO 9 CO 0.54 -3.03 0.20 -0.47 0.04 0.00 0.00 177.00 174.28 1jv8 s TYR 10 N -3.01 0.47 0.63 0.56 5.04 -1.26 -4.95 117.35 114.83 1jv8 s TYR 10 Ca 0.67 -1.28 0.29 0.00 -2.44 0.00 0.00 57.07 54.31 1jv8 s TYR 10 Cb -0.16 -0.85 1.52 0.00 0.35 0.00 0.00 41.96 42.82 1jv8 s TYR 10 CO 0.57 -0.84 1.89 1.15 -1.34 0.00 0.00 175.55 176.98 1jv8 h THR 11 N 5.51 0.20 -1.47 4.34 2.02 -1.93 -3.41 112.91 118.17 1jv8 h THR 11 Ca -0.03 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.16 1jv8 h THR 11 Cb 0.99 0.63 -0.00 0.00 -1.74 0.00 0.00 68.15 68.03 1jv8 h THR 11 CO 0.32 0.00 -0.01 0.61 0.37 0.00 0.00 175.52 176.81 1jv8 n GLY 12 N -1.37 -1.27 0.00 2.16 0.00 -1.26 -0.51 105.19 102.94 1jv8 n GLY 12 Ca 0.03 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.94 1jv8 n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1jv8 n PRO 13 N -1.49 1.71 0.00 1.61 -0.04 -1.26 -4.80 135.00 130.73 1jv8 n PRO 13 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1jv8 n PRO 13 Cb 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.47 1jv8 n PRO 13 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jv8 n LYS 15 N -1.54 0.00 -0.62 0.00 2.85 -1.26 -5.02 118.16 112.58 1jv8 n LYS 15 Ca 0.00 -0.96 -0.31 0.00 -1.05 0.00 0.00 58.31 55.99 1jv8 n LYS 15 Cb 0.00 -0.40 0.20 0.00 -0.65 0.00 0.00 35.03 34.18 1jv8 n LYS 15 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1jv8 n ALA 16 N 0.03 -3.41 -3.14 0.58 0.00 -1.26 -4.99 120.51 108.33 1jv8 n ALA 16 Ca 0.00 -1.15 -0.22 0.00 0.00 0.00 0.00 53.44 52.08 1jv8 n ALA 16 Cb 0.71 -1.75 -0.05 0.00 0.00 0.00 0.00 19.45 18.36 1jv8 n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1jv8 n ARG 17 N -3.16 0.74 -4.13 0.00 1.74 -1.25 -4.67 116.66 105.93 1jv8 n ARG 17 Ca 0.03 -3.06 -0.31 0.00 -0.77 0.00 0.00 57.85 53.74 1jv8 n ARG 17 Cb 0.58 -1.27 -0.08 0.00 -1.02 0.00 0.00 32.46 30.67 1jv8 n ARG 17 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1jv8 s ILE 18 N -1.05 4.25 -1.17 0.55 1.01 -1.24 -4.93 121.20 118.60 1jv8 s ILE 18 Ca 0.35 -0.81 -0.11 0.00 0.00 0.00 0.00 60.65 60.08 1jv8 s ILE 18 Cb 0.19 -3.00 0.22 0.00 0.01 0.00 0.00 42.46 39.88 1jv8 s ILE 18 CO -0.12 0.19 1.36 -0.38 0.00 0.00 0.00 174.94 175.98 1jv8 n ILE 19 N 0.74 4.46 -1.86 2.92 2.08 -1.26 -1.93 119.36 124.50 1jv8 n ILE 19 Ca -0.11 -5.04 -0.18 0.00 0.56 0.00 0.00 62.75 57.97 1jv8 n ILE 19 Cb 0.52 -2.48 0.12 0.00 -0.75 0.00 0.00 39.64 37.05 1jv8 n ILE 19 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 1jv8 n ARG 20 N 4.05 -0.59 -4.83 0.38 5.12 -1.08 -4.77 116.66 114.94 1jv8 n ARG 20 Ca 0.31 -1.51 -0.30 0.00 -1.93 0.00 0.00 57.85 54.42 1jv8 n ARG 20 Cb 0.40 -0.78 -0.14 0.00 -1.16 0.00 0.00 32.46 30.78 1jv8 n ARG 20 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 1jv8 s TYR 21 N -2.68 2.41 0.11 -1.55 1.51 0.57 -1.98 117.35 115.74 1jv8 s TYR 21 Ca 0.49 -0.35 -0.01 0.00 -1.01 0.00 0.00 57.07 56.19 1jv8 s TYR 21 Cb -0.02 -1.42 -0.04 0.00 -0.11 0.00 0.00 41.96 40.37 1jv8 s TYR 21 CO 0.34 0.17 0.02 -0.59 -1.11 0.00 0.00 175.55 174.38 1jv8 s PHE 22 N -0.84 0.78 -0.31 2.71 -0.71 -0.34 0.21 117.98 119.48 1jv8 s PHE 22 Ca 0.13 -1.15 -0.18 0.00 -1.04 0.00 0.00 56.93 54.69 1jv8 s PHE 22 Cb -0.10 -0.47 -0.02 0.00 -1.21 0.00 0.00 43.02 41.22 1jv8 s PHE 22 CO 0.03 -0.44 0.50 -0.47 -1.34 0.00 0.00 175.22 173.50 1jv8 s TYR 23 N -3.96 3.21 -0.85 3.49 5.04 -1.26 0.09 117.35 123.11 1jv8 s TYR 23 Ca 0.18 0.36 -0.19 0.00 -2.44 0.00 0.00 57.07 54.98 1jv8 s TYR 23 Cb 0.07 -2.82 0.13 0.00 0.35 0.00 0.00 41.96 39.70 1jv8 s TYR 23 CO -0.02 -0.42 1.02 1.21 -1.34 0.00 0.00 175.55 176.00 1jv8 s ASN 24 N 1.68 6.55 0.56 4.32 3.84 0.12 -4.36 114.94 127.64 1jv8 s ASN 24 Ca 0.19 -1.94 0.41 0.00 0.21 0.00 0.00 52.86 51.74 1jv8 s ASN 24 Cb -0.16 -2.37 1.59 0.00 -0.55 0.00 0.00 41.25 39.76 1jv8 s ASN 24 CO 0.12 -1.06 1.68 0.00 -2.79 0.00 0.00 177.10 175.05 1jv8 h ALA 25 N 8.83 3.38 0.00 1.71 0.00 -1.75 2.43 119.26 133.86 1jv8 h ALA 25 Ca 0.05 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1jv8 h ALA 25 Cb 1.04 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1jv8 h ALA 25 CO 1.07 -1.85 -0.30 0.87 0.00 0.00 0.00 179.25 179.05 1jv8 h LYS 26 N 0.00 0.00 0.00 0.00 1.57 -1.90 -3.09 116.57 113.15 1jv8 h LYS 26 Ca 0.70 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.48 1jv8 h LYS 26 Cb 2.88 0.00 0.00 0.00 0.08 0.00 0.00 32.23 35.19 1jv8 h LYS 26 CO -0.01 0.30 -1.09 0.00 -0.57 0.00 0.00 179.45 178.08 1jv8 n ALA 27 N -2.21 3.02 -0.36 3.86 0.00 0.80 -4.94 120.51 120.68 1jv8 n ALA 27 Ca 0.01 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1jv8 n ALA 27 Cb 0.54 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.99 1jv8 n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jv8 n GLY 28 N 1.30 1.84 0.00 0.00 0.00 -0.34 -4.90 105.19 103.08 1jv8 n GLY 28 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1jv8 n GLY 28 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1jv8 n LEU 29 N 0.00 0.00 -4.58 0.99 -0.00 -1.25 -4.81 117.00 107.35 1jv8 n LEU 29 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 56.01 55.76 1jv8 n LEU 29 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.33 1jv8 n LEU 29 CO 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 177.39 177.03 1jv8 s GLN 31 N -3.64 1.11 0.27 0.00 -0.21 0.11 -4.79 119.66 112.51 1jv8 s GLN 31 Ca 0.33 -1.36 -0.23 0.00 0.02 0.00 0.00 55.36 54.12 1jv8 s GLN 31 Cb -0.01 0.32 -0.09 0.00 1.00 0.00 0.00 33.01 34.22 1jv8 s GLN 31 CO 0.18 -0.38 0.83 0.95 -2.12 0.00 0.00 175.29 174.75 1jv8 s THR 32 N -4.04 4.39 0.25 -0.19 -4.23 -1.26 -1.19 115.64 109.37 1jv8 s THR 32 Ca 0.24 1.55 -0.05 0.00 -1.18 0.00 0.00 61.69 62.25 1jv8 s THR 32 Cb 0.05 -3.94 -0.02 0.00 1.34 0.00 0.00 72.50 69.93 1jv8 s THR 32 CO 0.04 0.19 0.31 0.72 -0.54 0.00 0.00 174.62 175.34 1jv8 s PHE 33 N -1.55 0.89 -0.20 3.99 -0.71 -0.84 -4.92 117.98 114.64 1jv8 s PHE 33 Ca 0.46 -1.14 -0.24 0.00 -1.04 0.00 0.00 56.93 54.97 1jv8 s PHE 33 Cb -0.18 -0.23 -0.01 0.00 -1.21 0.00 0.00 43.02 41.39 1jv8 s PHE 33 CO 0.22 -0.85 0.78 0.08 -1.34 0.00 0.00 175.22 174.11 1jv8 s VAL 34 N -3.91 4.90 0.04 -2.49 1.01 -1.26 -2.64 120.40 116.05 1jv8 s VAL 34 Ca 0.32 1.51 -0.01 0.00 0.00 0.00 0.00 61.98 63.79 1jv8 s VAL 34 Cb 0.03 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 1jv8 s VAL 34 CO 0.13 0.02 0.21 -0.47 0.00 0.00 0.00 175.10 174.99 1jv8 s TYR 35 N 2.29 3.53 -2.13 5.22 5.04 -0.81 -3.58 117.35 126.91 1jv8 s TYR 35 Ca 0.35 0.30 0.24 0.00 -2.44 0.00 0.00 57.07 55.52 1jv8 s TYR 35 Cb -0.16 -1.79 0.28 0.00 0.35 0.00 0.00 41.96 40.64 1jv8 s TYR 35 CO 0.10 0.60 1.27 0.41 -1.34 0.00 0.00 175.55 176.60 1jv8 n GLY 36 N 0.47 0.00 3.49 8.97 0.00 0.34 -3.68 105.19 114.77 1jv8 n GLY 36 Ca -0.07 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1jv8 n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jv8 n ALA 37 N 0.02 0.00 -2.76 4.61 0.00 -1.26 -4.01 120.51 117.11 1jv8 n ALA 37 Ca 0.11 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.47 1jv8 n ALA 37 Cb 0.45 -0.33 -0.11 0.00 0.00 0.00 0.00 19.45 19.47 1jv8 n ALA 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jv8 n ARG 39 N 1.22 -3.86 -2.32 0.00 1.74 -1.26 -4.51 116.66 107.68 1jv8 n ARG 39 Ca -0.21 0.45 -0.35 0.00 -0.77 0.00 0.00 57.85 56.96 1jv8 n ARG 39 Cb 0.56 -5.06 -0.01 0.00 -1.02 0.00 0.00 32.46 26.94 1jv8 n ARG 39 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1jv8 s ALA 40 N -3.47 2.74 0.00 7.54 0.00 -1.26 -4.83 121.76 122.48 1jv8 s ALA 40 Ca 0.51 0.78 0.00 0.00 0.00 0.00 0.00 51.96 53.25 1jv8 s ALA 40 Cb -0.27 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.51 1jv8 s ALA 40 CO 0.89 -0.67 0.00 1.63 0.00 0.00 0.00 175.76 177.61 1jv8 n LYS 41 N -1.20 2.18 0.05 0.00 5.02 -1.26 -4.99 118.16 117.95 1jv8 n LYS 41 Ca 0.11 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.53 1jv8 n LYS 41 Cb 0.51 0.00 0.41 0.00 -0.02 0.00 0.00 35.03 35.93 1jv8 n LYS 41 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1jv8 n ARG 42 N -0.42 0.16 -1.97 1.97 1.74 -1.26 -3.98 116.66 112.90 1jv8 n ARG 42 Ca 0.00 0.10 -0.37 0.00 -0.77 0.00 0.00 57.85 56.82 1jv8 n ARG 42 Cb 0.00 -1.66 -0.00 0.00 -1.02 0.00 0.00 32.46 29.78 1jv8 n ARG 42 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1jv8 n ASN 43 N -1.92 7.30 -3.14 0.55 2.85 -1.26 -4.70 115.26 114.94 1jv8 n ASN 43 Ca 0.06 -3.49 -0.11 0.00 -0.11 0.00 0.00 54.58 50.92 1jv8 n ASN 43 Cb 0.39 -1.19 -0.04 0.00 1.24 0.00 0.00 39.78 40.18 1jv8 n ASN 43 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 1jv8 s ASN 44 N -0.45 -0.16 0.17 1.20 3.84 -1.20 -4.32 114.94 114.02 1jv8 s ASN 44 Ca 0.52 -1.76 0.01 0.00 0.21 0.00 0.00 52.86 51.83 1jv8 s ASN 44 Cb 0.32 1.08 -0.04 0.00 -0.55 0.00 0.00 41.25 42.06 1jv8 s ASN 44 CO -0.24 -0.16 0.33 -0.36 -2.79 0.00 0.00 177.10 173.89 1jv8 s PHE 45 N 1.07 3.49 -0.49 0.43 0.08 0.56 -4.76 117.98 118.35 1jv8 s PHE 45 Ca 0.24 0.22 0.24 0.00 0.12 0.00 0.00 56.93 57.75 1jv8 s PHE 45 Cb -0.05 -1.75 0.40 0.00 -0.57 0.00 0.00 43.02 41.04 1jv8 s PHE 45 CO -0.07 0.45 1.56 -0.22 -0.10 0.00 0.00 175.22 176.84 1jv8 h LYS 46 N 2.09 0.00 -3.96 0.44 1.63 -1.94 1.66 116.57 116.50 1jv8 h LYS 46 Ca -0.48 0.00 -0.13 0.00 -0.85 0.00 0.00 60.65 59.19 1jv8 h LYS 46 Cb 1.19 0.00 -0.17 0.00 -0.60 0.00 0.00 32.23 32.65 1jv8 h LYS 46 CO 0.68 0.00 -0.59 -1.54 -3.45 0.00 0.00 179.45 174.55 1jv8 s SER 47 N -5.65 0.27 0.49 4.20 1.04 -1.26 -4.72 113.70 108.07 1jv8 s SER 47 Ca 0.07 -0.66 0.19 0.00 0.48 0.00 0.00 55.95 56.02 1jv8 s SER 47 Cb 0.08 0.20 1.23 0.00 0.10 0.00 0.00 66.02 67.63 1jv8 s SER 47 CO 0.67 -0.51 2.07 0.00 0.98 0.00 0.00 173.24 176.45 1jv8 h ALA 48 N 3.65 1.66 0.00 5.32 0.00 -1.98 -0.78 119.26 127.13 1jv8 h ALA 48 Ca -0.33 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.41 1jv8 h ALA 48 Cb 1.18 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1jv8 h ALA 48 CO 0.53 0.15 -0.31 0.93 0.00 0.00 0.00 179.25 180.55 1jv8 h GLU 49 N 0.00 0.00 -0.04 0.00 5.08 -1.99 -2.29 114.58 115.34 1jv8 h GLU 49 Ca -0.00 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.17 1jv8 h GLU 49 Cb 0.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1jv8 h GLU 49 CO 0.02 0.31 -0.78 0.22 -1.00 0.00 0.00 179.01 177.77 1jv8 h ASP 50 N 0.00 0.38 -0.04 1.42 3.58 -1.55 -2.25 116.42 117.96 1jv8 h ASP 50 Ca -0.00 -0.26 -0.03 0.00 0.42 0.00 0.00 57.03 57.15 1jv8 h ASP 50 Cb 1.03 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.97 1jv8 h ASP 50 CO 0.04 1.01 -0.09 0.00 -2.88 0.00 0.00 179.24 177.33 1jv8 h MET 52 N -0.40 -0.80 -0.52 0.00 2.86 -1.42 1.09 114.93 115.75 1jv8 h MET 52 Ca 0.00 0.05 0.15 0.00 -2.06 0.00 0.00 59.70 57.84 1jv8 h MET 52 Cb 0.68 0.18 -0.02 0.00 0.06 0.00 0.00 31.60 32.50 1jv8 h MET 52 CO 0.02 -0.53 0.75 0.00 1.06 0.00 0.00 176.91 178.21 1jv8 h ARG 53 N -0.83 0.00 0.00 1.72 3.08 -1.49 1.40 114.38 118.25 1jv8 h ARG 53 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1jv8 h ARG 53 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.78 1jv8 h ARG 53 CO -0.05 0.00 -0.61 2.41 -1.07 0.00 0.00 179.97 180.64 1jv8 n THR 54 N -3.29 0.94 -1.36 2.04 -1.04 -0.06 -4.65 114.28 106.85 1jv8 n THR 54 Ca 0.11 0.28 -0.24 0.00 -2.04 0.00 0.00 64.05 62.15 1jv8 n THR 54 Cb 0.93 -2.03 0.14 0.00 -1.82 0.00 0.00 70.33 67.55 1jv8 n THR 54 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jv8 n GLY 56 N -1.04 3.81 2.70 0.00 0.00 0.48 -4.51 105.19 106.63 1jv8 n GLY 56 Ca 0.55 -1.24 -0.33 0.00 0.00 0.00 0.00 46.02 45.00 1jv8 n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jv8 n GLY 57 N 1.01 5.77 0.00 -0.02 0.00 -1.26 -4.97 105.19 105.72 1jv8 n GLY 57 Ca 0.35 -2.63 0.00 0.00 0.00 0.00 0.00 46.02 43.74 1jv8 n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32