#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jpp s LEU 2 N 0.00 5.07 0.14 -0.89 0.20 -1.26 -5.08 118.68 116.85 2jpp s LEU 2 Ca 0.00 -1.54 -0.18 0.00 0.69 0.00 0.00 54.13 53.10 2jpp s LEU 2 Cb 0.00 -1.95 -0.07 0.00 -0.43 0.00 0.00 46.19 43.74 2jpp s LEU 2 CO 0.00 -0.52 0.61 -0.63 -0.29 0.00 0.00 176.35 175.53 2jpp s ILE 3 N 1.38 4.72 0.10 6.68 1.09 -1.26 -5.09 121.20 128.83 2jpp s ILE 3 Ca 0.03 1.13 -0.03 0.00 -1.10 0.00 0.00 60.65 60.68 2jpp s ILE 3 Cb -0.23 -3.85 -0.03 0.00 -1.06 0.00 0.00 42.46 37.29 2jpp s ILE 3 CO 0.01 0.36 0.06 -0.76 -0.10 0.00 0.00 174.94 174.52 2jpp s LEU 4 N -1.61 1.92 -0.56 2.97 1.43 -1.26 -5.12 118.68 116.44 2jpp s LEU 4 Ca 0.36 -1.04 0.04 0.00 -1.03 0.00 0.00 54.13 52.46 2jpp s LEU 4 Cb -0.17 0.43 0.15 0.00 0.03 0.00 0.00 46.19 46.62 2jpp s LEU 4 CO 0.20 -0.70 0.35 -0.89 0.23 0.00 0.00 176.35 175.54 2jpp s THR 5 N -3.97 2.30 0.88 5.49 2.01 -1.26 -5.10 115.64 115.98 2jpp s THR 5 Ca 0.15 -3.48 -0.13 0.00 0.31 0.00 0.00 61.69 58.54 2jpp s THR 5 Cb 0.07 -2.56 0.14 0.00 0.01 0.00 0.00 72.50 70.16 2jpp s THR 5 CO -0.04 -0.93 1.24 -0.13 -0.69 0.00 0.00 174.62 174.07 2jpp s ARG 6 N -0.57 1.29 0.29 4.92 1.81 -1.26 -5.11 118.95 120.32 2jpp s ARG 6 Ca 0.21 -0.22 0.10 0.00 -1.72 0.00 0.00 55.73 54.11 2jpp s ARG 6 Cb -0.16 -1.92 -0.05 0.00 -0.45 0.00 0.00 34.95 32.37 2jpp s ARG 6 CO -0.08 -1.99 -0.15 0.15 -0.68 0.00 0.00 175.30 172.56 2jpp s LYS 7 N -5.70 1.66 0.08 3.54 1.02 -1.26 -5.06 119.74 114.02 2jpp s LYS 7 Ca 0.68 -1.80 -0.33 0.00 0.02 0.00 0.00 55.97 54.54 2jpp s LYS 7 Cb -0.07 -1.59 -0.13 0.00 -0.52 0.00 0.00 37.83 35.52 2jpp s LYS 7 CO 0.51 0.22 1.72 0.28 -0.92 0.00 0.00 175.35 177.16 2jpp n VAL 8 N -0.64 0.24 -0.01 3.17 0.31 -1.26 -1.31 118.33 118.84 2jpp n VAL 8 Ca -0.05 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 2jpp n VAL 8 Cb 0.61 -1.77 0.00 0.00 -0.91 0.00 0.00 33.84 31.78 2jpp n VAL 8 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2jpp n GLY 9 N 3.88 0.32 3.97 2.92 0.00 0.05 -5.02 105.19 111.32 2jpp n GLY 9 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.97 2jpp n GLY 9 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jpp s GLU 10 N -0.90 2.05 0.32 1.61 2.02 -0.43 -4.91 118.70 118.46 2jpp s GLU 10 Ca 0.00 -0.73 -0.02 0.00 0.02 0.00 0.00 54.97 54.24 2jpp s GLU 10 Cb 0.00 -2.31 -0.01 0.00 0.10 0.00 0.00 34.13 31.91 2jpp s GLU 10 CO 0.00 -1.20 0.41 -1.54 0.02 0.00 0.00 175.26 172.95 2jpp s SER 11 N -4.58 0.88 0.14 -0.19 1.04 -1.26 -2.37 113.70 107.35 2jpp s SER 11 Ca 0.62 -1.47 0.01 0.00 0.48 0.00 0.00 55.95 55.59 2jpp s SER 11 Cb -0.08 0.61 -0.04 0.00 0.10 0.00 0.00 66.02 66.60 2jpp s SER 11 CO 0.43 -1.20 -0.02 -0.63 0.98 0.00 0.00 173.24 172.80 2jpp s ILE 12 N -3.32 0.59 0.07 -1.02 -1.09 0.74 -4.98 121.20 112.18 2jpp s ILE 12 Ca 0.32 -1.95 0.04 0.00 -2.23 0.00 0.00 60.65 56.83 2jpp s ILE 12 Cb 0.01 -1.93 -0.03 0.00 -1.58 0.00 0.00 42.46 38.92 2jpp s ILE 12 CO 0.20 -0.63 -0.11 0.20 -1.23 0.00 0.00 174.94 173.37 2jpp s ASN 13 N -3.10 1.32 -0.01 3.58 -0.87 -1.26 -0.87 114.94 113.73 2jpp s ASN 13 Ca 0.19 -0.67 -0.02 0.00 -1.57 0.00 0.00 52.86 50.79 2jpp s ASN 13 Cb 0.06 0.00 -0.00 0.00 -0.02 0.00 0.00 41.25 41.29 2jpp s ASN 13 CO 0.00 -0.19 0.05 -0.63 -2.57 0.00 0.00 177.10 173.76 2jpp s ILE 14 N -1.73 0.04 -0.10 0.60 1.01 -0.79 -4.88 121.20 115.35 2jpp s ILE 14 Ca -0.02 -0.34 0.00 0.00 0.00 0.00 0.00 60.65 60.29 2jpp s ILE 14 Cb -0.07 -0.18 0.00 0.00 0.01 0.00 0.00 42.46 42.21 2jpp s ILE 14 CO 0.01 -0.18 0.00 0.61 0.00 0.00 0.00 174.94 175.37 2jpp n GLY 15 N 2.44 0.09 3.17 6.18 0.00 -1.26 -1.27 105.19 114.54 2jpp n GLY 15 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2jpp n GLY 15 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jpp n ASP 16 N -0.69 -3.95 0.00 1.61 2.03 -1.26 -4.68 116.55 109.60 2jpp n ASP 16 Ca -0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.30 2jpp n ASP 16 Cb 0.47 -2.84 0.00 0.00 -0.72 0.00 0.00 41.12 38.03 2jpp n ASP 16 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2jpp n ASP 17 N -0.61 0.47 -4.28 1.67 8.00 -1.03 -5.08 116.55 115.69 2jpp n ASP 17 Ca 0.00 -1.06 -0.23 0.00 0.71 0.00 0.00 54.79 54.21 2jpp n ASP 17 Cb 0.31 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.28 2jpp n ASP 17 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2jpp s ILE 18 N -0.06 1.65 -0.01 0.53 1.01 -0.39 -4.41 121.20 119.51 2jpp s ILE 18 Ca 0.00 -1.56 0.01 0.00 0.00 0.00 0.00 60.65 59.10 2jpp s ILE 18 Cb 0.00 -1.53 0.01 0.00 0.01 0.00 0.00 42.46 40.94 2jpp s ILE 18 CO 0.00 -0.11 -0.02 -0.89 0.00 0.00 0.00 174.94 173.92 2jpp s THR 19 N -1.27 0.19 -0.06 2.92 2.01 0.14 -1.88 115.64 117.68 2jpp s THR 19 Ca 0.06 -0.06 0.05 0.00 0.31 0.00 0.00 61.69 62.05 2jpp s THR 19 Cb -0.10 -0.20 -0.00 0.00 0.01 0.00 0.00 72.50 72.21 2jpp s THR 19 CO 0.04 0.08 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.20 2jpp s ILE 20 N 0.21 1.82 -0.02 1.82 -1.09 -0.05 -0.17 121.20 123.73 2jpp s ILE 20 Ca -0.02 -0.92 0.01 0.00 -2.23 0.00 0.00 60.65 57.49 2jpp s ILE 20 Cb -0.04 -1.56 0.01 0.00 -1.58 0.00 0.00 42.46 39.28 2jpp s ILE 20 CO -0.01 0.51 -0.05 -0.89 -1.23 0.00 0.00 174.94 173.28 2jpp s THR 21 N 0.05 0.44 -0.62 2.92 2.01 -0.76 -0.19 115.64 119.49 2jpp s THR 21 Ca -0.08 -0.16 -0.21 0.00 0.31 0.00 0.00 61.69 61.55 2jpp s THR 21 Cb -0.14 -0.42 0.08 0.00 0.01 0.00 0.00 72.50 72.03 2jpp s THR 21 CO 0.04 0.16 0.86 -0.51 -0.69 0.00 0.00 174.62 174.48 2jpp s ILE 22 N 0.32 4.52 0.10 1.82 1.10 -1.00 -0.95 121.20 127.10 2jpp s ILE 22 Ca -0.04 -0.49 0.17 0.00 -0.51 0.00 0.00 60.65 59.78 2jpp s ILE 22 Cb -0.07 -4.58 0.10 0.00 0.15 0.00 0.00 42.46 38.05 2jpp s ILE 22 CO -0.00 -1.28 1.64 -0.07 -2.11 0.00 0.00 174.94 173.12 2jpp h LEU 23 N 10.79 0.00 0.00 8.50 3.38 -1.24 0.17 115.31 136.92 2jpp h LEU 23 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2jpp h LEU 23 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2jpp h LEU 23 CO 1.13 0.44 0.00 0.61 0.09 0.00 0.00 178.44 180.72 2jpp n GLY 24 N 0.51 2.50 3.88 0.83 0.00 -1.00 -4.57 105.19 107.34 2jpp n GLY 24 Ca 0.00 -1.12 -0.30 0.00 0.00 0.00 0.00 46.02 44.60 2jpp n GLY 24 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jpp s VAL 25 N -2.00 4.03 -0.29 1.61 -7.23 -1.26 -0.92 120.40 114.34 2jpp s VAL 25 Ca 0.00 0.64 0.18 0.00 -1.81 0.00 0.00 61.98 61.00 2jpp s VAL 25 Cb 0.00 -3.65 0.46 0.00 0.56 0.00 0.00 36.38 33.75 2jpp s VAL 25 CO 0.00 -0.85 1.31 -1.20 -0.31 0.00 0.00 175.10 174.04 2jpp n SER 26 N -2.88 0.18 0.00 4.85 7.64 -0.13 -4.69 113.62 118.59 2jpp n SER 26 Ca 0.06 -2.11 0.00 0.00 1.01 0.00 0.00 58.87 57.83 2jpp n SER 26 Cb 0.56 0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.81 2jpp n SER 26 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jpp n GLY 27 N -1.03 1.56 0.10 0.23 0.00 -1.26 -2.36 105.19 102.42 2jpp n GLY 27 Ca -0.04 -0.52 0.10 0.00 0.00 0.00 0.00 46.02 45.56 2jpp n GLY 27 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2jpp n GLN 28 N 12.18 0.14 -3.42 1.61 7.27 -1.26 -4.71 117.38 129.19 2jpp n GLN 28 Ca 0.00 0.40 -0.19 0.00 0.07 0.00 0.00 57.00 57.28 2jpp n GLN 28 Cb 0.00 -1.77 -0.00 0.00 2.41 0.00 0.00 30.24 30.87 2jpp n GLN 28 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 2jpp s GLN 29 N -3.24 3.05 -0.18 3.69 -0.21 -1.00 -5.12 119.66 116.64 2jpp s GLN 29 Ca 0.04 -1.07 -0.04 0.00 0.02 0.00 0.00 55.36 54.31 2jpp s GLN 29 Cb 0.09 -2.79 0.09 0.00 1.00 0.00 0.00 33.01 31.40 2jpp s GLN 29 CO 0.34 0.01 0.28 0.08 -2.12 0.00 0.00 175.29 173.88 2jpp s VAL 30 N -2.21 -0.43 -0.65 1.09 1.01 -1.26 -0.96 120.40 116.98 2jpp s VAL 30 Ca 0.46 0.08 -0.27 0.00 0.00 0.00 0.00 61.98 62.24 2jpp s VAL 30 Cb -0.09 -0.60 0.02 0.00 0.00 0.00 0.00 36.38 35.71 2jpp s VAL 30 CO 0.31 -0.04 1.36 -0.60 0.00 0.00 0.00 175.10 176.13 2jpp s ARG 31 N 2.42 3.21 0.32 2.72 3.52 -0.10 -4.94 118.95 126.10 2jpp s ARG 31 Ca 0.05 0.11 0.09 0.00 -0.13 0.00 0.00 55.73 55.85 2jpp s ARG 31 Cb -0.14 -4.16 -0.05 0.00 -1.56 0.00 0.00 34.95 29.04 2jpp s ARG 31 CO -0.11 -2.08 0.06 0.42 -0.81 0.00 0.00 175.30 172.77 2jpp s ILE 32 N 6.06 3.03 0.06 4.11 1.01 -1.26 -0.71 121.20 133.49 2jpp s ILE 32 Ca 0.44 -1.84 0.01 0.00 0.00 0.00 0.00 60.65 59.25 2jpp s ILE 32 Cb -0.09 -2.88 -0.04 0.00 0.01 0.00 0.00 42.46 39.46 2jpp s ILE 32 CO 0.20 -0.24 -0.05 -0.83 0.00 0.00 0.00 174.94 174.01 2jpp s GLY 33 N -3.76 0.56 -0.06 6.18 0.00 -0.12 -4.88 107.32 105.24 2jpp s GLY 33 Ca 0.35 -1.11 0.03 0.00 0.00 0.00 0.00 44.72 43.98 2jpp s GLY 33 CO 0.21 -1.21 -0.13 -0.42 0.00 0.00 0.00 173.10 171.55 2jpp s ILE 34 N -3.10 1.20 -0.18 0.90 1.09 -1.26 -1.83 121.20 118.02 2jpp s ILE 34 Ca 0.03 -0.54 -0.01 0.00 -1.10 0.00 0.00 60.65 59.03 2jpp s ILE 34 Cb 0.02 -1.07 0.05 0.00 -1.06 0.00 0.00 42.46 40.40 2jpp s ILE 34 CO -0.05 0.36 -0.01 0.21 -0.10 0.00 0.00 174.94 175.35 2jpp s ASN 35 N 0.46 2.93 0.08 3.58 2.47 0.76 -5.00 114.94 120.22 2jpp s ASN 35 Ca -0.11 -0.77 -0.05 0.00 0.42 0.00 0.00 52.86 52.35 2jpp s ASN 35 Cb -0.14 -0.80 -0.02 0.00 -1.45 0.00 0.00 41.25 38.84 2jpp s ASN 35 CO 0.03 -0.24 0.09 0.00 -3.72 0.00 0.00 177.10 173.26 2jpp s ALA 36 N 1.71 0.15 0.82 1.71 0.00 -1.26 -0.69 121.76 124.20 2jpp s ALA 36 Ca -0.01 -0.92 -0.11 0.00 0.00 0.00 0.00 51.96 50.92 2jpp s ALA 36 Cb -0.16 0.43 0.08 0.00 0.00 0.00 0.00 23.12 23.47 2jpp s ALA 36 CO -0.07 -0.45 1.09 -1.25 0.00 0.00 0.00 175.76 175.07 2jpp s PRO 37 N -3.90 1.87 0.00 0.00 0.04 -1.26 -4.90 135.00 126.84 2jpp s PRO 37 Ca 0.07 0.88 0.15 0.00 0.04 0.00 0.00 61.00 62.14 2jpp s PRO 37 Cb 0.06 -1.87 0.92 0.00 0.04 0.00 0.00 34.50 33.64 2jpp s PRO 37 CO -0.10 -1.83 1.33 1.63 0.04 0.00 0.00 177.00 178.07 2jpp n LYS 38 N -3.61 0.50 0.15 4.56 4.76 -1.26 -2.20 118.16 121.06 2jpp n LYS 38 Ca 0.08 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.63 2jpp n LYS 38 Cb 0.55 -1.48 0.53 0.00 -1.84 0.00 0.00 35.03 32.79 2jpp n LYS 38 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2jpp n ASP 39 N -0.98 0.67 -4.12 4.39 2.03 -1.26 -4.78 116.55 112.50 2jpp n ASP 39 Ca 0.12 0.70 -0.19 0.00 0.52 0.00 0.00 54.79 55.94 2jpp n ASP 39 Cb 0.05 -0.83 -0.09 0.00 -0.72 0.00 0.00 41.12 39.53 2jpp n ASP 39 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2jpp s VAL 40 N -3.40 0.45 0.31 5.18 -7.23 -0.94 -5.18 120.40 109.59 2jpp s VAL 40 Ca 0.02 -2.00 0.10 0.00 -1.81 0.00 0.00 61.98 58.29 2jpp s VAL 40 Cb 0.08 -2.55 -0.05 0.00 0.56 0.00 0.00 36.38 34.42 2jpp s VAL 40 CO 0.34 0.00 -0.06 0.00 -0.31 0.00 0.00 175.10 175.07 2jpp s ALA 41 N -3.61 3.05 -0.23 1.32 0.00 -1.26 -4.88 121.76 116.15 2jpp s ALA 41 Ca 0.35 -1.90 -0.04 0.00 0.00 0.00 0.00 51.96 50.37 2jpp s ALA 41 Cb 0.06 -0.38 0.12 0.00 0.00 0.00 0.00 23.12 22.92 2jpp s ALA 41 CO 0.16 0.16 0.40 0.54 0.00 0.00 0.00 175.76 177.03 2jpp s VAL 42 N -2.49 -0.64 0.08 0.00 0.11 -1.26 -5.10 120.40 111.10 2jpp s VAL 42 Ca 0.33 0.03 -0.04 0.00 -2.93 0.00 0.00 61.98 59.37 2jpp s VAL 42 Cb -0.02 -0.76 -0.03 0.00 -1.53 0.00 0.00 36.38 34.04 2jpp s VAL 42 CO 0.18 -0.04 0.06 -1.00 -3.33 0.00 0.00 175.10 170.98 2jpp s HIS 43 N 2.59 0.43 0.67 1.54 3.76 -1.26 -5.13 115.29 117.89 2jpp s HIS 43 Ca 0.07 -0.92 -0.09 0.00 -0.15 0.00 0.00 55.06 53.97 2jpp s HIS 43 Cb -0.14 -0.28 0.02 0.00 1.11 0.00 0.00 32.58 33.29 2jpp s HIS 43 CO -0.15 -0.46 1.02 -0.98 -0.85 0.00 0.00 174.74 173.32 2jpp s ARG 44 N -3.92 2.74 0.35 1.40 1.70 -1.26 -4.86 118.95 115.10 2jpp s ARG 44 Ca 0.09 0.19 0.14 0.00 -0.47 0.00 0.00 55.73 55.68 2jpp s ARG 44 Cb 0.07 -2.12 0.63 0.00 -0.57 0.00 0.00 34.95 32.95 2jpp s ARG 44 CO -0.09 -0.98 1.74 0.93 -1.08 0.00 0.00 175.30 175.83 2jpp h GLU 45 N -0.51 0.00 0.00 3.89 5.08 -2.02 0.05 114.58 121.08 2jpp h GLU 45 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 2jpp h GLU 45 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 2jpp h GLU 45 CO 0.63 0.44 0.00 -1.91 -1.00 0.00 0.00 179.01 177.17 2jpp n GLU 46 N -3.82 0.71 0.00 2.33 4.07 -1.26 -3.08 120.64 119.59 2jpp n GLU 46 Ca -0.01 0.01 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2jpp n GLU 46 Cb 0.49 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 30.37 2jpp n GLU 46 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 2jpp n ILE 47 N -1.09 0.00 -0.04 6.31 2.08 -0.97 -4.52 119.36 121.13 2jpp n ILE 47 Ca 0.18 0.00 -0.15 0.00 0.56 0.00 0.00 62.75 63.34 2jpp n ILE 47 Cb 0.13 -0.03 -0.08 0.00 -0.75 0.00 0.00 39.64 38.91 2jpp n ILE 47 CO 0.00 0.00 0.00 0.22 0.56 0.00 0.00 176.55 177.33 2jpp h TYR 48 N 0.00 0.67 0.00 1.39 3.20 -1.05 -3.04 116.97 118.14 2jpp h TYR 48 Ca 0.00 -0.26 0.00 0.00 3.14 0.00 0.00 58.73 61.61 2jpp h TYR 48 Cb 0.23 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.38 2jpp h TYR 48 CO 0.00 1.01 0.00 1.04 -1.64 0.00 0.00 178.16 178.57 2jpp n GLN 49 N -4.30 0.28 -0.18 1.82 6.02 -1.18 -1.93 117.38 117.92 2jpp n GLN 49 Ca -0.07 0.10 0.11 0.00 -0.01 0.00 0.00 57.00 57.13 2jpp n GLN 49 Cb 0.54 -1.50 0.27 0.00 1.02 0.00 0.00 30.24 30.57 2jpp n GLN 49 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 2jpp n ARG 50 N -1.17 2.23 0.00 -1.09 0.63 -1.15 -4.34 116.66 111.77 2jpp n ARG 50 Ca 0.08 -1.87 0.00 0.00 -0.92 0.00 0.00 57.85 55.13 2jpp n ARG 50 Cb 0.08 -1.46 0.00 0.00 0.45 0.00 0.00 32.46 31.53 2jpp n ARG 50 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 2jpp n ILE 51 N 1.07 0.00 0.52 5.15 5.41 -0.81 -4.79 119.36 125.91 2jpp n ILE 51 Ca 0.18 0.00 0.07 0.00 1.00 0.00 0.00 62.75 64.00 2jpp n ILE 51 Cb 0.49 -0.45 0.30 0.00 -0.71 0.00 0.00 39.64 39.28 2jpp n ILE 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2jpp n GLN 52 N -0.12 0.06 0.00 0.38 0.00 -1.26 -5.17 117.38 111.27 2jpp n GLN 52 Ca 0.00 0.23 0.16 0.00 0.00 0.00 0.00 57.00 57.39 2jpp n GLN 52 Cb 0.00 -1.50 0.89 0.00 0.00 0.00 0.00 30.24 29.63 2jpp n GLN 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06