#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jr0 s PRO 2 N 0.00 2.34 0.00 1.09 0.04 -1.26 -4.95 135.00 132.25 1jr0 s PRO 2 Ca 0.00 1.60 0.19 0.00 0.04 0.00 0.00 61.00 62.82 1jr0 s PRO 2 Cb 0.00 -1.87 -0.09 0.00 0.04 0.00 0.00 34.50 32.58 1jr0 s PRO 2 CO 0.00 -1.65 0.88 1.04 0.04 0.00 0.00 177.00 177.31 1jr0 n GLN 3 N -2.70 1.31 -3.79 4.56 6.02 -1.26 -4.97 117.38 116.55 1jr0 n GLN 3 Ca 0.12 -0.53 -0.09 0.00 -0.01 0.00 0.00 57.00 56.50 1jr0 n GLN 3 Cb 0.51 -1.36 -0.03 0.00 1.02 0.00 0.00 30.24 30.38 1jr0 n GLN 3 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1jr0 s ASN 4 N -2.38 -0.27 0.36 1.08 2.20 -1.26 -5.06 114.94 109.61 1jr0 s ASN 4 Ca 0.12 -0.54 0.08 0.00 -0.94 0.00 0.00 52.86 51.58 1jr0 s ASN 4 Cb 0.15 0.64 0.69 0.00 -2.00 0.00 0.00 41.25 40.72 1jr0 s ASN 4 CO 0.59 -1.16 1.86 -0.29 -2.94 0.00 0.00 177.10 175.15 1jr0 h ILE 5 N 2.11 1.21 -0.25 0.54 2.10 -1.96 -1.58 117.51 119.69 1jr0 h ILE 5 Ca -0.25 -0.95 -0.04 0.00 1.08 0.00 0.00 64.86 64.69 1jr0 h ILE 5 Cb 1.26 1.29 -0.01 0.00 -1.09 0.00 0.00 36.82 38.27 1jr0 h ILE 5 CO 0.32 0.29 -0.02 0.74 -1.08 0.00 0.00 178.15 178.40 1jr0 h THR 6 N 0.25 1.27 -0.37 2.19 2.02 -1.99 0.78 112.91 117.06 1jr0 h THR 6 Ca 0.05 -0.96 -0.14 0.00 0.77 0.00 0.00 66.41 66.13 1jr0 h THR 6 Cb 0.47 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 68.27 1jr0 h THR 6 CO 0.03 0.30 -0.32 0.44 0.37 0.00 0.00 175.52 176.34 1jr0 h ASP 7 N 0.22 0.87 -0.23 4.18 3.32 -1.95 -2.12 116.42 120.69 1jr0 h ASP 7 Ca 0.07 -0.36 0.01 0.00 0.02 0.00 0.00 57.03 56.77 1jr0 h ASP 7 Cb 0.45 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 1jr0 h ASP 7 CO 0.02 1.11 0.13 0.25 -1.72 0.00 0.00 179.24 179.03 1jr0 h LEU 8 N 0.70 0.22 -1.27 1.55 6.46 -1.14 -2.86 115.31 118.97 1jr0 h LEU 8 Ca 0.07 0.00 0.05 0.00 -0.12 0.00 0.00 57.88 57.88 1jr0 h LEU 8 Cb 0.87 -0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 40.71 1jr0 h LEU 8 CO 0.08 0.16 0.52 0.00 -0.62 0.00 0.00 178.44 178.58 1jr0 n ALA 10 N -2.42 1.45 1.23 0.00 0.00 -0.82 -2.68 120.51 117.26 1jr0 n ALA 10 Ca 0.11 0.09 0.13 0.00 0.00 0.00 0.00 53.44 53.77 1jr0 n ALA 10 Cb 0.16 -1.32 0.65 0.00 0.00 0.00 0.00 19.45 18.94 1jr0 n ALA 10 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1jr0 n GLU 11 N -2.10 0.38 -4.78 0.00 1.02 -0.70 -4.81 120.64 109.65 1jr0 n GLU 11 Ca 0.01 0.04 -0.28 0.00 -0.02 0.00 0.00 57.16 56.91 1jr0 n GLU 11 Cb 0.15 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 29.93 1jr0 n GLU 11 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1jr0 s TYR 12 N -2.55 2.08 0.66 -0.32 1.51 -1.09 -5.14 117.35 112.50 1jr0 s TYR 12 Ca 0.25 -0.39 -0.12 0.00 -1.01 0.00 0.00 57.07 55.79 1jr0 s TYR 12 Cb 0.17 -1.24 -0.01 0.00 -0.11 0.00 0.00 41.96 40.77 1jr0 s TYR 12 CO 0.39 0.11 1.06 -1.01 -1.11 0.00 0.00 175.55 174.98 1jr0 s HIS 13 N -0.80 3.10 -1.52 2.71 3.76 -1.26 -4.15 115.29 117.13 1jr0 s HIS 13 Ca 0.10 1.45 -0.06 0.00 -0.15 0.00 0.00 55.06 56.40 1jr0 s HIS 13 Cb -0.09 -2.91 0.01 0.00 1.11 0.00 0.00 32.58 30.70 1jr0 s HIS 13 CO 0.02 -1.16 0.68 0.09 -0.85 0.00 0.00 174.74 173.51 1jr0 n ASN 14 N -2.77 -6.00 -4.54 1.40 5.03 -1.26 -4.97 115.26 102.15 1jr0 n ASN 14 Ca 0.08 -0.33 -0.26 0.00 0.87 0.00 0.00 54.58 54.94 1jr0 n ASN 14 Cb 0.53 -4.84 -0.10 0.00 -1.02 0.00 0.00 39.78 34.35 1jr0 n ASN 14 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1jr0 s THR 15 N -3.19 2.24 0.11 3.41 -4.23 -1.26 -1.13 115.64 111.61 1jr0 s THR 15 Ca 0.35 -2.22 -0.20 0.00 -1.18 0.00 0.00 61.69 58.45 1jr0 s THR 15 Cb -0.16 -2.62 0.05 0.00 1.34 0.00 0.00 72.50 71.11 1jr0 s THR 15 CO 0.43 -0.22 0.48 0.00 -0.54 0.00 0.00 174.62 174.78 1jr0 s GLN 16 N -3.61 1.11 -0.08 3.99 -2.07 -0.45 -4.89 119.66 113.66 1jr0 s GLN 16 Ca 0.32 -0.52 -0.19 0.00 -1.82 0.00 0.00 55.36 53.15 1jr0 s GLN 16 Cb 0.02 0.50 -0.04 0.00 -1.09 0.00 0.00 33.01 32.40 1jr0 s GLN 16 CO 0.16 -0.44 0.52 0.42 -1.32 0.00 0.00 175.29 174.63 1jr0 s ILE 17 N -3.43 5.11 -0.16 3.63 -1.09 -1.26 -1.38 121.20 122.62 1jr0 s ILE 17 Ca 0.00 1.05 -0.05 0.00 -2.23 0.00 0.00 60.65 59.42 1jr0 s ILE 17 Cb 0.00 -3.86 -0.03 0.00 -1.58 0.00 0.00 42.46 36.99 1jr0 s ILE 17 CO -0.10 0.35 0.02 -1.00 -1.23 0.00 0.00 174.94 172.98 1jr0 s HIS 18 N 0.38 3.15 -0.26 3.97 3.76 -0.02 -4.99 115.29 121.28 1jr0 s HIS 18 Ca 0.28 -0.06 -0.10 0.00 -0.15 0.00 0.00 55.06 55.03 1jr0 s HIS 18 Cb -0.16 -2.00 -0.04 0.00 1.11 0.00 0.00 32.58 31.48 1jr0 s HIS 18 CO 0.13 0.11 0.15 0.99 -0.85 0.00 0.00 174.74 175.27 1jr0 s THR 19 N 0.24 5.02 -0.21 1.30 2.01 -1.26 -1.15 115.64 121.58 1jr0 s THR 19 Ca 0.01 0.07 -0.10 0.00 0.31 0.00 0.00 61.69 61.98 1jr0 s THR 19 Cb -0.13 -3.37 -0.10 0.00 0.01 0.00 0.00 72.50 68.91 1jr0 s THR 19 CO 0.01 0.29 -0.27 0.18 -0.69 0.00 0.00 174.62 174.15 1jr0 n LEU 20 N 4.90 1.64 -4.12 4.42 7.99 0.33 -5.00 117.00 127.15 1jr0 n LEU 20 Ca -0.15 0.23 -0.33 0.00 -0.01 0.00 0.00 56.01 55.75 1jr0 n LEU 20 Cb 0.52 -0.64 -0.04 0.00 -0.11 0.00 0.00 43.42 43.15 1jr0 n LEU 20 CO 0.33 0.48 -0.32 0.59 -1.51 0.00 0.00 177.39 176.96 1jr0 n ASN 21 N -3.88 -0.98 -3.46 -1.43 3.02 0.17 -4.95 115.26 103.76 1jr0 n ASN 21 Ca -0.42 -1.19 -0.13 0.00 -0.03 0.00 0.00 54.58 52.81 1jr0 n ASN 21 Cb 0.81 -2.13 -0.03 0.00 -0.61 0.00 0.00 39.78 37.82 1jr0 n ASN 21 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1jr0 s ASP 22 N -4.12 -0.56 0.69 6.41 2.15 -0.74 -4.91 116.67 115.58 1jr0 s ASP 22 Ca 0.15 0.16 -0.12 0.00 0.43 0.00 0.00 52.55 53.18 1jr0 s ASP 22 Cb -0.07 0.55 0.00 0.00 -0.30 0.00 0.00 42.92 43.10 1jr0 s ASP 22 CO 0.95 -0.83 1.06 -1.59 -0.17 0.00 0.00 175.17 174.59 1jr0 s LYS 23 N -3.05 2.94 0.18 4.34 -2.85 -1.26 -1.05 119.74 118.99 1jr0 s LYS 23 Ca -0.01 1.01 -0.30 0.00 -1.00 0.00 0.00 55.97 55.67 1jr0 s LYS 23 Cb -0.01 -1.99 -0.09 0.00 -2.06 0.00 0.00 37.83 33.69 1jr0 s LYS 23 CO -0.07 -1.10 1.34 0.42 0.10 0.00 0.00 175.35 176.04 1jr0 s ILE 24 N -2.94 3.21 -0.03 3.79 1.01 -1.26 -4.69 121.20 120.28 1jr0 s ILE 24 Ca 0.59 0.95 -0.08 0.00 0.00 0.00 0.00 60.65 62.11 1jr0 s ILE 24 Cb -0.15 -3.61 -0.30 0.00 0.01 0.00 0.00 42.46 38.42 1jr0 s ILE 24 CO 0.52 0.12 0.72 0.15 0.00 0.00 0.00 174.94 176.46 1jr0 h PHE 25 N 5.77 0.63 -3.45 3.97 3.57 -0.79 -3.48 116.94 123.17 1jr0 h PHE 25 Ca -0.44 -0.46 -0.13 0.00 3.53 0.00 0.00 57.97 60.47 1jr0 h PHE 25 Cb 1.21 -0.03 -0.20 0.00 2.79 0.00 0.00 35.95 39.73 1jr0 h PHE 25 CO 0.63 1.58 -0.43 -1.54 -2.23 0.00 0.00 178.31 176.32 1jr0 s SER 26 N -7.18 -0.00 -0.09 0.41 1.04 -0.99 -4.97 113.70 101.91 1jr0 s SER 26 Ca -0.14 -0.20 0.02 0.00 0.48 0.00 0.00 55.95 56.10 1jr0 s SER 26 Cb 0.06 0.24 0.02 0.00 0.10 0.00 0.00 66.02 66.43 1jr0 s SER 26 CO 0.85 -0.43 -0.13 -0.47 0.98 0.00 0.00 173.24 174.05 1jr0 s TYR 27 N -1.67 1.65 -0.04 5.02 5.04 -1.26 -1.79 117.35 124.31 1jr0 s TYR 27 Ca -0.12 -0.71 0.03 0.00 -2.44 0.00 0.00 57.07 53.83 1jr0 s TYR 27 Cb -0.06 -1.23 0.00 0.00 0.35 0.00 0.00 41.96 41.03 1jr0 s TYR 27 CO 0.01 -0.38 -0.13 0.99 -1.34 0.00 0.00 175.55 174.70 1jr0 s THR 28 N 0.93 1.09 0.02 4.34 2.01 -0.03 -5.01 115.64 118.99 1jr0 s THR 28 Ca -0.09 -0.52 0.00 0.00 0.31 0.00 0.00 61.69 61.39 1jr0 s THR 28 Cb -0.15 -0.96 -0.02 0.00 0.01 0.00 0.00 72.50 71.39 1jr0 s THR 28 CO 0.00 0.33 -0.03 -1.83 -0.69 0.00 0.00 174.62 172.40 1jr0 s GLU 29 N 0.18 0.26 -0.01 4.92 -1.05 -1.26 -0.66 118.70 121.08 1jr0 s GLU 29 Ca -0.05 -0.48 0.04 0.00 -0.15 0.00 0.00 54.97 54.33 1jr0 s GLU 29 Cb -0.11 0.06 -0.01 0.00 -0.44 0.00 0.00 34.13 33.64 1jr0 s GLU 29 CO 0.01 -0.03 -0.14 0.45 0.95 0.00 0.00 175.26 176.50 1jr0 s SER 30 N -1.15 1.68 0.00 0.83 0.15 -0.52 -5.01 113.70 109.67 1jr0 s SER 30 Ca -0.12 -0.26 0.13 0.00 0.70 0.00 0.00 55.95 56.39 1jr0 s SER 30 Cb -0.08 -0.18 0.23 0.00 -1.71 0.00 0.00 66.02 64.27 1jr0 s SER 30 CO -0.01 0.17 1.10 0.00 1.20 0.00 0.00 173.24 175.70 1jr0 n LEU 31 N 2.71 2.57 -4.77 3.45 -0.00 -1.26 -2.98 117.00 116.71 1jr0 n LEU 31 Ca -0.14 -1.48 -0.40 0.00 -0.00 0.00 0.00 56.01 53.99 1jr0 n LEU 31 Cb 0.55 -0.13 -0.00 0.00 -0.00 0.00 0.00 43.42 43.84 1jr0 n LEU 31 CO 0.24 0.57 1.03 0.00 -0.00 0.00 0.00 177.39 179.23 1jr0 s ALA 32 N -1.05 3.36 0.23 1.47 0.00 -1.26 -4.82 121.76 119.69 1jr0 s ALA 32 Ca 0.21 1.37 -0.31 0.00 0.00 0.00 0.00 51.96 53.23 1jr0 s ALA 32 Cb 0.12 -3.54 -0.11 0.00 0.00 0.00 0.00 23.12 19.60 1jr0 s ALA 32 CO 0.17 -0.93 1.62 0.20 0.00 0.00 0.00 175.76 176.83 1jr0 s GLY 33 N -0.51 1.69 0.00 0.00 0.00 -1.26 -0.85 107.32 106.39 1jr0 s GLY 33 Ca 0.55 1.51 0.00 0.00 0.00 0.00 0.00 44.72 46.79 1jr0 s GLY 33 CO 0.54 2.66 0.00 0.28 0.00 0.00 0.00 173.10 176.58 1jr0 n LYS 34 N 3.21 -0.04 -2.55 2.90 4.76 -1.26 -4.83 118.16 120.35 1jr0 n LYS 34 Ca 0.12 0.01 -0.10 0.00 -2.87 0.00 0.00 58.31 55.47 1jr0 n LYS 34 Cb 0.37 -3.04 0.03 0.00 -1.84 0.00 0.00 35.03 30.55 1jr0 n LYS 34 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1jr0 n ARG 35 N -2.00 2.34 -2.65 1.97 5.12 -0.03 -4.97 116.66 116.44 1jr0 n ARG 35 Ca 0.00 -3.75 -0.42 0.00 -1.93 0.00 0.00 57.85 51.75 1jr0 n ARG 35 Cb 0.01 -1.81 -0.02 0.00 -1.16 0.00 0.00 32.46 29.48 1jr0 n ARG 35 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1jr0 s GLU 36 N -3.64 3.75 0.22 5.56 8.01 -1.16 -4.37 118.70 127.07 1jr0 s GLU 36 Ca 0.36 -1.59 -0.10 0.00 0.01 0.00 0.00 54.97 53.65 1jr0 s GLU 36 Cb 0.37 -5.32 -0.01 0.00 -4.31 0.00 0.00 34.13 24.86 1jr0 s GLU 36 CO -0.02 -2.12 0.37 0.00 0.01 0.00 0.00 175.26 173.50 1jr0 s MET 37 N 4.13 1.40 0.08 1.61 0.23 -1.16 -4.19 119.30 121.41 1jr0 s MET 37 Ca 0.46 -1.31 0.08 0.00 -1.03 0.00 0.00 55.69 53.89 1jr0 s MET 37 Cb 0.00 0.41 -0.03 0.00 -1.53 0.00 0.00 34.83 33.68 1jr0 s MET 37 CO -0.04 -0.55 -0.21 0.00 -2.03 0.00 0.00 175.02 172.19 1jr0 s ALA 38 N -4.04 1.83 -0.05 3.16 0.00 -1.20 -1.44 121.76 120.03 1jr0 s ALA 38 Ca 0.25 -1.19 0.02 0.00 0.00 0.00 0.00 51.96 51.03 1jr0 s ALA 38 Cb 0.02 -0.29 0.02 0.00 0.00 0.00 0.00 23.12 22.86 1jr0 s ALA 38 CO 0.08 0.39 -0.08 0.42 0.00 0.00 0.00 175.76 176.57 1jr0 s ILE 39 N -1.02 0.77 0.17 0.00 1.01 0.17 -0.87 121.20 121.42 1jr0 s ILE 39 Ca 0.07 -0.27 0.11 0.00 0.00 0.00 0.00 60.65 60.56 1jr0 s ILE 39 Cb -0.10 -0.74 -0.04 0.00 0.01 0.00 0.00 42.46 41.60 1jr0 s ILE 39 CO 0.03 0.27 -0.25 0.27 0.00 0.00 0.00 174.94 175.27 1jr0 s ILE 40 N 0.73 2.29 0.17 2.92 -4.36 -0.03 -0.85 121.20 122.07 1jr0 s ILE 40 Ca -0.12 -1.93 0.05 0.00 -0.26 0.00 0.00 60.65 58.39 1jr0 s ILE 40 Cb -0.14 -2.06 -0.05 0.00 1.25 0.00 0.00 42.46 41.46 1jr0 s ILE 40 CO 0.02 -0.06 -0.09 0.42 0.24 0.00 0.00 174.94 175.47 1jr0 s THR 41 N -1.48 1.22 0.24 8.37 -4.23 -0.74 -1.08 115.64 117.94 1jr0 s THR 41 Ca 0.18 -2.08 0.10 0.00 -1.18 0.00 0.00 61.69 58.72 1jr0 s THR 41 Cb -0.09 -1.98 -0.05 0.00 1.34 0.00 0.00 72.50 71.73 1jr0 s THR 41 CO 0.08 -0.64 -0.12 -0.36 -0.54 0.00 0.00 174.62 173.04 1jr0 s PHE 42 N -3.30 2.50 -0.03 3.99 0.40 -0.41 -0.05 117.98 121.09 1jr0 s PHE 42 Ca 0.20 -0.27 0.30 0.00 -0.60 0.00 0.00 56.93 56.55 1jr0 s PHE 42 Cb 0.03 -1.15 1.43 0.00 0.51 0.00 0.00 43.02 43.84 1jr0 s PHE 42 CO 0.03 0.60 1.90 1.57 0.70 0.00 0.00 175.22 180.02 1jr0 h LYS 43 N 2.46 0.00 0.00 0.44 2.10 -1.89 0.89 116.57 120.57 1jr0 h LYS 43 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 1jr0 h LYS 43 Cb 1.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 1jr0 h LYS 43 CO 0.57 0.00 0.00 0.27 -2.00 0.00 0.00 179.45 178.29 1jr0 n ASN 44 N -2.60 0.00 0.00 7.07 0.23 -1.26 -4.87 115.26 113.83 1jr0 n ASN 44 Ca -0.00 -1.06 0.00 0.00 -0.53 0.00 0.00 54.58 52.99 1jr0 n ASN 44 Cb 0.15 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.85 1jr0 n ASN 44 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1jr0 n GLY 45 N 0.84 1.37 3.75 4.83 0.00 0.31 -5.05 105.19 111.24 1jr0 n GLY 45 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1jr0 n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jr0 s ALA 46 N -2.36 3.63 -0.04 4.61 0.00 -1.24 -4.76 121.76 121.60 1jr0 s ALA 46 Ca 0.00 1.36 0.04 0.00 0.00 0.00 0.00 51.96 53.35 1jr0 s ALA 46 Cb 0.00 -3.57 -0.00 0.00 0.00 0.00 0.00 23.12 19.55 1jr0 s ALA 46 CO 0.00 -0.77 -0.14 0.99 0.00 0.00 0.00 175.76 175.83 1jr0 s THR 47 N -0.06 1.21 0.04 0.00 2.01 -1.26 -1.28 115.64 116.29 1jr0 s THR 47 Ca 0.59 -0.60 0.01 0.00 0.31 0.00 0.00 61.69 62.01 1jr0 s THR 47 Cb -0.42 -1.05 -0.02 0.00 0.01 0.00 0.00 72.50 71.02 1jr0 s THR 47 CO 0.44 0.35 -0.06 -0.36 -0.69 0.00 0.00 174.62 174.31 1jr0 s PHE 48 N 0.06 0.55 0.20 4.92 0.08 -0.24 -3.95 117.98 119.59 1jr0 s PHE 48 Ca -0.03 -0.53 0.11 0.00 0.12 0.00 0.00 56.93 56.60 1jr0 s PHE 48 Cb -0.10 -0.34 -0.04 0.00 -0.57 0.00 0.00 43.02 41.96 1jr0 s PHE 48 CO 0.01 -0.12 -0.21 1.14 -0.10 0.00 0.00 175.22 175.94 1jr0 s GLN 49 N -1.64 1.62 -0.32 0.44 -2.07 -0.39 -0.85 119.66 116.45 1jr0 s GLN 49 Ca -0.11 -1.49 -0.14 0.00 -1.82 0.00 0.00 55.36 51.80 1jr0 s GLN 49 Cb -0.09 -1.90 -0.02 0.00 -1.09 0.00 0.00 33.01 29.91 1jr0 s GLN 49 CO -0.00 0.40 0.32 0.08 -1.32 0.00 0.00 175.29 174.76 1jr0 s VAL 50 N -1.72 5.21 0.72 3.63 1.01 -0.05 -0.60 120.40 128.60 1jr0 s VAL 50 Ca 0.22 0.10 -0.16 0.00 0.00 0.00 0.00 61.98 62.14 1jr0 s VAL 50 Cb -0.08 -3.74 0.03 0.00 0.00 0.00 0.00 36.38 32.59 1jr0 s VAL 50 CO 0.11 0.01 1.23 -1.61 0.00 0.00 0.00 175.10 174.84 1jr0 s GLU 51 N 1.93 2.18 0.28 2.72 2.02 -1.26 -3.27 118.70 123.31 1jr0 s GLU 51 Ca 0.10 1.85 -0.30 0.00 0.02 0.00 0.00 54.97 56.64 1jr0 s GLU 51 Cb -0.16 -1.83 -0.12 0.00 0.10 0.00 0.00 34.13 32.12 1jr0 s GLU 51 CO 0.11 -1.82 1.59 0.28 0.02 0.00 0.00 175.26 175.44 1jr0 n VAL 52 N -2.57 0.93 -1.92 2.63 0.31 -1.26 -4.87 118.33 111.58 1jr0 n VAL 52 Ca 0.14 -0.23 -0.40 0.00 -0.01 0.00 0.00 64.34 63.83 1jr0 n VAL 52 Cb 0.50 -1.92 -0.00 0.00 -0.91 0.00 0.00 33.84 31.50 1jr0 n VAL 52 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1jr0 s PRO 53 N -0.36 4.07 0.16 5.55 0.02 -1.26 -4.95 135.00 138.23 1jr0 s PRO 53 Ca 0.65 2.39 -0.11 0.00 0.02 0.00 0.00 61.00 63.95 1jr0 s PRO 53 Cb -0.51 -2.90 0.04 0.00 0.02 0.00 0.00 34.50 31.15 1jr0 s PRO 53 CO 0.47 -0.50 0.56 0.41 -0.33 0.00 0.00 177.00 177.62 1jr0 n GLY 54 N 0.60 1.08 0.00 0.52 0.00 -1.26 -5.06 105.19 101.07 1jr0 n GLY 54 Ca 0.02 -1.10 0.10 0.00 0.00 0.00 0.00 46.02 45.05 1jr0 n GLY 54 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jr0 n SER 55 N -1.13 0.00 0.18 1.61 3.41 -1.26 -1.43 113.62 115.00 1jr0 n SER 55 Ca -0.03 0.16 0.09 0.00 -0.26 0.00 0.00 58.87 58.83 1jr0 n SER 55 Cb 0.35 -0.36 0.11 0.00 -0.26 0.00 0.00 64.21 64.05 1jr0 n SER 55 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 1jr0 h GLN 56 N 0.00 0.00 -5.60 4.33 -0.00 -1.97 -3.45 115.11 108.42 1jr0 h GLN 56 Ca 0.00 0.00 -0.66 0.00 -0.00 0.00 0.00 58.65 57.99 1jr0 h GLN 56 Cb 0.26 0.00 -0.08 0.00 -0.00 0.00 0.00 27.48 27.66 1jr0 h GLN 56 CO 0.00 0.14 -0.47 -1.01 -0.00 0.00 0.00 178.83 177.49 1jr0 s HIS 57 N -3.15 3.58 0.54 0.06 3.76 -0.52 -5.11 115.29 114.46 1jr0 s HIS 57 Ca 0.05 0.52 -0.03 0.00 -0.15 0.00 0.00 55.06 55.45 1jr0 s HIS 57 Cb 0.06 -1.98 0.01 0.00 1.11 0.00 0.00 32.58 31.78 1jr0 s HIS 57 CO 0.71 0.68 0.81 0.96 -0.85 0.00 0.00 174.74 177.04 1jr0 s ILE 58 N -0.84 3.65 0.27 0.60 -4.36 -1.26 -4.92 121.20 114.34 1jr0 s ILE 58 Ca 0.14 -0.24 -0.03 0.00 -0.26 0.00 0.00 60.65 60.27 1jr0 s ILE 58 Cb -0.12 -3.41 0.27 0.00 1.25 0.00 0.00 42.46 40.45 1jr0 s ILE 58 CO 0.03 -0.36 1.90 0.44 0.24 0.00 0.00 174.94 177.19 1jr0 h ASP 59 N 0.03 1.04 0.29 4.36 3.32 -1.99 0.43 116.42 123.90 1jr0 h ASP 59 Ca -0.45 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.59 1jr0 h ASP 59 Cb 1.26 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 40.58 1jr0 h ASP 59 CO 0.59 0.69 -0.03 0.77 -1.72 0.00 0.00 179.24 179.54 1jr0 h SER 60 N 1.19 0.00 1.67 6.45 4.64 -2.05 -2.00 113.55 123.45 1jr0 h SER 60 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 1jr0 h SER 60 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1jr0 h SER 60 CO -0.15 0.03 0.00 1.56 -0.87 0.00 0.00 176.83 177.40 1jr0 h GLN 61 N 0.00 0.00 -0.07 4.77 4.20 -1.28 -3.38 115.11 119.35 1jr0 h GLN 61 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1jr0 h GLN 61 Cb 0.18 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.96 1jr0 h GLN 61 CO 0.00 0.00 0.05 0.87 -0.67 0.00 0.00 178.83 179.08 1jr0 h LYS 62 N 0.00 0.09 -0.50 1.46 1.79 -1.43 0.15 116.57 118.13 1jr0 h LYS 62 Ca 0.00 -0.01 -0.06 0.00 -2.18 0.00 0.00 60.65 58.40 1jr0 h LYS 62 Cb 0.84 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.44 1jr0 h LYS 62 CO 0.00 0.06 0.05 0.87 -1.08 0.00 0.00 179.45 179.35 1jr0 h LYS 63 N 0.10 0.81 -0.12 3.15 1.57 -1.77 -2.78 116.57 117.53 1jr0 h LYS 63 Ca 0.03 -0.20 -0.10 0.00 -1.87 0.00 0.00 60.65 58.51 1jr0 h LYS 63 Cb -0.01 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 1jr0 h LYS 63 CO -0.01 0.78 -0.39 0.00 -0.57 0.00 0.00 179.45 179.27 1jr0 h ALA 64 N 1.29 1.13 -0.30 3.86 0.00 -1.56 -0.91 119.26 122.77 1jr0 h ALA 64 Ca 0.16 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1jr0 h ALA 64 Cb 0.39 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1jr0 h ALA 64 CO 0.01 0.57 0.18 0.82 0.00 0.00 0.00 179.25 180.84 1jr0 h ILE 65 N 0.22 1.10 -0.74 0.00 2.04 -0.77 -0.55 117.51 118.81 1jr0 h ILE 65 Ca 0.02 -0.23 -0.04 0.00 1.00 0.00 0.00 64.86 65.61 1jr0 h ILE 65 Cb 0.78 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 1jr0 h ILE 65 CO 0.06 0.10 0.29 -0.33 0.00 0.00 0.00 178.15 178.28 1jr0 h GLU 66 N 0.39 1.10 -0.78 2.37 4.39 -1.23 -2.33 114.58 118.49 1jr0 h GLU 66 Ca 0.11 -0.20 -0.00 0.00 0.34 0.00 0.00 59.36 59.60 1jr0 h GLU 66 Cb 0.00 -0.18 -0.04 0.00 -0.10 0.00 0.00 28.75 28.44 1jr0 h GLU 66 CO -0.02 0.90 0.47 -0.09 -1.16 0.00 0.00 179.01 179.11 1jr0 h ARG 67 N 1.06 1.06 -0.90 2.33 2.43 -0.96 -2.11 114.38 117.28 1jr0 h ARG 67 Ca 0.25 -0.10 0.02 0.00 -0.81 0.00 0.00 59.98 59.34 1jr0 h ARG 67 Cb 0.21 -0.22 -0.05 0.00 -0.42 0.00 0.00 29.97 29.49 1jr0 h ARG 67 CO -0.02 0.75 0.60 1.98 -1.51 0.00 0.00 179.97 181.77 1jr0 h MET 68 N 1.07 1.16 -0.51 0.20 4.05 -0.71 0.10 114.93 120.30 1jr0 h MET 68 Ca 0.28 -0.07 -0.07 0.00 -0.28 0.00 0.00 59.70 59.56 1jr0 h MET 68 Cb -0.04 -0.26 -0.02 0.00 -0.80 0.00 0.00 31.60 30.48 1jr0 h MET 68 CO -0.05 0.77 0.04 0.87 0.23 0.00 0.00 176.91 178.76 1jr0 h LYS 69 N 1.20 0.83 -0.65 0.39 1.57 -1.17 0.23 116.57 118.97 1jr0 h LYS 69 Ca 0.34 -0.21 0.03 0.00 -1.87 0.00 0.00 60.65 58.94 1jr0 h LYS 69 Cb -0.10 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.07 1jr0 h LYS 69 CO -0.09 0.81 0.40 -0.44 -0.57 0.00 0.00 179.45 179.56 1jr0 h ASP 70 N 0.78 0.65 -0.40 0.86 3.32 -0.63 -1.92 116.42 119.07 1jr0 h ASP 70 Ca 0.16 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.11 1jr0 h ASP 70 Cb 0.42 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1jr0 h ASP 70 CO 0.01 0.45 -0.13 0.74 -1.72 0.00 0.00 179.24 178.59 1jr0 h THR 71 N 0.78 1.28 -0.71 0.35 2.02 -0.23 -2.01 112.91 114.38 1jr0 h THR 71 Ca 0.27 -1.24 -0.07 0.00 0.77 0.00 0.00 66.41 66.14 1jr0 h THR 71 Cb 0.04 1.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.66 1jr0 h THR 71 CO -0.11 0.42 0.17 -0.07 0.37 0.00 0.00 175.52 176.29 1jr0 h LEU 72 N 0.61 1.08 -0.10 2.58 3.38 -0.80 0.12 115.31 122.19 1jr0 h LEU 72 Ca 0.10 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 1jr0 h LEU 72 Cb 0.67 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 1jr0 h LEU 72 CO 0.05 1.04 0.04 -0.09 0.09 0.00 0.00 178.44 179.57 1jr0 h ARG 73 N 1.08 0.15 -0.19 1.13 2.43 -1.17 -0.29 114.38 117.52 1jr0 h ARG 73 Ca 0.22 -0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.24 1jr0 h ARG 73 Cb 0.38 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 1jr0 h ARG 73 CO 0.00 0.24 -0.43 0.97 -1.51 0.00 0.00 179.97 179.25 1jr0 h ILE 74 N 0.01 1.31 -0.45 1.20 2.10 -1.26 -1.02 117.51 119.40 1jr0 h ILE 74 Ca 0.03 -1.59 0.01 0.00 1.08 0.00 0.00 64.86 64.39 1jr0 h ILE 74 Cb 0.15 1.63 -0.03 0.00 -1.09 0.00 0.00 36.82 37.49 1jr0 h ILE 74 CO -0.00 0.49 0.29 0.00 -1.08 0.00 0.00 178.15 177.85 1jr0 h ALA 75 N 1.18 0.58 0.03 0.18 0.00 -0.87 -1.05 119.26 119.31 1jr0 h ALA 75 Ca 0.03 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1jr0 h ALA 75 Cb 0.90 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1jr0 h ALA 75 CO 0.08 -0.00 -0.12 -0.92 0.00 0.00 0.00 179.25 178.29 1jr0 h TYR 76 N 0.59 -0.31 0.00 0.00 3.20 -0.69 -1.22 116.97 118.53 1jr0 h TYR 76 Ca 0.17 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.98 1jr0 h TYR 76 Cb -0.04 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 1jr0 h TYR 76 CO -0.05 -0.18 -0.34 -0.07 -1.64 0.00 0.00 178.16 175.87 1jr0 h LEU 77 N -0.22 0.00 -1.36 2.82 3.38 -0.98 -2.46 115.31 116.49 1jr0 h LEU 77 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1jr0 h LEU 77 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1jr0 h LEU 77 CO -0.10 0.34 0.00 0.35 0.09 0.00 0.00 178.44 179.12 1jr0 n THR 78 N -3.97 0.04 -2.95 0.22 -2.24 -0.42 -4.94 114.28 100.02 1jr0 n THR 78 Ca -0.02 -0.36 -0.22 0.00 -2.27 0.00 0.00 64.05 61.18 1jr0 n THR 78 Cb 0.40 0.83 0.02 0.00 -2.10 0.00 0.00 70.33 69.49 1jr0 n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1jr0 n GLU 79 N 0.63 -4.26 -2.27 -0.78 1.02 -0.55 -4.94 120.64 109.49 1jr0 n GLU 79 Ca 0.17 0.88 -0.41 0.00 -0.02 0.00 0.00 57.16 57.78 1jr0 n GLU 79 Cb 0.44 -5.70 -0.03 0.00 -0.02 0.00 0.00 31.44 26.13 1jr0 n GLU 79 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jr0 s ALA 80 N -3.13 3.49 0.14 0.62 0.00 -0.67 -4.75 121.76 117.46 1jr0 s ALA 80 Ca 0.26 1.07 -0.31 0.00 0.00 0.00 0.00 51.96 52.98 1jr0 s ALA 80 Cb -0.12 -3.45 -0.08 0.00 0.00 0.00 0.00 23.12 19.47 1jr0 s ALA 80 CO 0.32 -0.48 1.29 0.21 0.00 0.00 0.00 175.76 177.10 1jr0 s LYS 81 N -0.35 4.40 -0.21 0.00 2.20 -1.26 -4.31 119.74 120.20 1jr0 s LYS 81 Ca 0.54 1.96 -0.18 0.00 -0.36 0.00 0.00 55.97 57.93 1jr0 s LYS 81 Cb -0.35 -3.26 -0.03 0.00 -1.51 0.00 0.00 37.83 32.68 1jr0 s LYS 81 CO 0.39 -0.28 0.52 0.08 -0.36 0.00 0.00 175.35 175.70 1jr0 s VAL 82 N 0.62 5.10 -0.01 4.02 1.01 -0.22 -3.44 120.40 127.48 1jr0 s VAL 82 Ca 0.59 0.94 -0.00 0.00 0.00 0.00 0.00 61.98 63.51 1jr0 s VAL 82 Cb -0.34 -3.84 -0.00 0.00 0.00 0.00 0.00 36.38 32.20 1jr0 s VAL 82 CO 0.33 0.16 0.02 -0.08 0.00 0.00 0.00 175.10 175.53 1jr0 h GLU 83 N 7.55 -0.00 -5.05 2.72 4.81 -0.90 0.72 114.58 124.43 1jr0 h GLU 83 Ca -0.33 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.56 1jr0 h GLU 83 Cb 1.15 0.00 -0.19 0.00 0.63 0.00 0.00 28.75 30.34 1jr0 h GLU 83 CO 0.74 -0.00 -0.74 0.15 -0.73 0.00 0.00 179.01 178.42 1jr0 s LYS 84 N -1.12 0.84 -0.09 1.92 1.02 -1.15 -0.51 119.74 120.64 1jr0 s LYS 84 Ca -0.00 -1.10 0.04 0.00 0.02 0.00 0.00 55.97 54.93 1jr0 s LYS 84 Cb 0.00 -0.61 -0.01 0.00 -0.52 0.00 0.00 37.83 36.69 1jr0 s LYS 84 CO 0.00 0.11 -0.21 -0.51 -0.92 0.00 0.00 175.35 173.82 1jr0 s LEU 85 N -2.25 2.26 -0.20 3.17 1.43 -0.30 -0.92 118.68 121.86 1jr0 s LEU 85 Ca 0.03 -0.47 -0.18 0.00 -1.03 0.00 0.00 54.13 52.48 1jr0 s LEU 85 Cb -0.05 -1.45 -0.03 0.00 0.03 0.00 0.00 46.19 44.69 1jr0 s LEU 85 CO 0.01 0.20 0.52 0.00 0.23 0.00 0.00 176.35 177.31 1jr0 s VAL 87 N 1.70 1.36 -0.08 0.00 -7.23 -0.48 -0.26 120.40 115.41 1jr0 s VAL 87 Ca 0.24 -1.86 -0.24 0.00 -1.81 0.00 0.00 61.98 58.31 1jr0 s VAL 87 Cb -0.15 -1.68 -0.03 0.00 0.56 0.00 0.00 36.38 35.08 1jr0 s VAL 87 CO 0.10 -0.51 0.72 0.26 -0.31 0.00 0.00 175.10 175.35 1jr0 s TRP 88 N -2.51 3.55 -0.84 2.82 0.51 0.56 -1.35 118.94 121.69 1jr0 s TRP 88 Ca 0.13 1.24 0.17 0.00 -2.12 0.00 0.00 56.10 55.52 1jr0 s TRP 88 Cb -0.03 -2.83 0.64 0.00 -0.81 0.00 0.00 33.47 30.44 1jr0 s TRP 88 CO 0.03 0.04 1.55 0.27 -0.51 0.00 0.00 176.95 178.33 1jr0 n ASN 89 N 3.98 4.43 -1.89 2.95 0.23 -0.28 -1.66 115.26 123.02 1jr0 n ASN 89 Ca -0.01 -2.54 -0.10 0.00 -0.53 0.00 0.00 54.58 51.41 1jr0 n ASN 89 Cb 0.51 -0.53 0.26 0.00 -2.08 0.00 0.00 39.78 37.93 1jr0 n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1jr0 n ASN 90 N 0.68 4.19 -4.08 0.53 6.94 -1.26 -4.92 115.26 117.34 1jr0 n ASN 90 Ca 0.23 -3.39 -0.10 0.00 -0.02 0.00 0.00 54.58 51.31 1jr0 n ASN 90 Cb 0.85 -0.75 -0.11 0.00 -2.36 0.00 0.00 39.78 37.42 1jr0 n ASN 90 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1jr0 s LYS 91 N -3.10 0.58 -0.14 -3.83 -0.14 -1.26 -5.09 119.74 106.76 1jr0 s LYS 91 Ca 0.54 -1.00 0.00 0.00 -1.36 0.00 0.00 55.97 54.14 1jr0 s LYS 91 Cb 0.44 -0.02 0.02 0.00 -1.68 0.00 0.00 37.83 36.59 1jr0 s LYS 91 CO 0.11 -0.04 -0.11 0.99 -0.76 0.00 0.00 175.35 175.54 1jr0 s THR 92 N -2.72 1.36 0.99 2.17 2.01 -1.26 -3.08 115.64 115.11 1jr0 s THR 92 Ca -0.01 -0.51 -0.11 0.00 0.31 0.00 0.00 61.69 61.37 1jr0 s THR 92 Cb -0.01 -1.31 0.19 0.00 0.01 0.00 0.00 72.50 71.37 1jr0 s THR 92 CO -0.04 0.41 1.09 -2.84 -0.69 0.00 0.00 174.62 172.54 1jr0 s PRO 93 N 1.57 0.45 0.43 4.92 0.02 -1.26 -5.05 135.00 136.08 1jr0 s PRO 93 Ca 0.05 1.10 -0.24 0.00 0.02 0.00 0.00 61.00 61.93 1jr0 s PRO 93 Cb -0.13 -1.69 -0.10 0.00 0.02 0.00 0.00 34.50 32.59 1jr0 s PRO 93 CO -0.10 -2.88 1.01 0.72 -0.33 0.00 0.00 177.00 175.42 1jr0 n HIS 94 N -4.36 1.16 -3.81 6.54 8.25 -1.18 -4.50 115.22 117.32 1jr0 n HIS 94 Ca 0.07 0.55 -0.36 0.00 -0.26 0.00 0.00 57.72 57.73 1jr0 n HIS 94 Cb 0.54 -2.23 -0.10 0.00 1.12 0.00 0.00 29.99 29.32 1jr0 n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1jr0 s ALA 95 N -1.28 3.43 0.09 -1.41 0.00 -0.67 -1.27 121.76 120.66 1jr0 s ALA 95 Ca 0.63 -0.90 -0.31 0.00 0.00 0.00 0.00 51.96 51.39 1jr0 s ALA 95 Cb -0.55 -2.13 -0.07 0.00 0.00 0.00 0.00 23.12 20.37 1jr0 s ALA 95 CO 0.57 -0.14 1.34 0.42 0.00 0.00 0.00 175.76 177.95 1jr0 s ILE 96 N 0.96 3.52 -0.19 0.00 1.01 0.23 -0.32 121.20 126.41 1jr0 s ILE 96 Ca 0.05 1.08 0.09 0.00 0.00 0.00 0.00 60.65 61.88 1jr0 s ILE 96 Cb -0.14 -3.69 -0.18 0.00 0.01 0.00 0.00 42.46 38.46 1jr0 s ILE 96 CO 0.03 0.08 -0.04 0.00 0.00 0.00 0.00 174.94 175.00 1jr0 n ALA 97 N 4.06 1.57 -3.34 9.38 0.00 0.64 -4.83 120.51 127.98 1jr0 n ALA 97 Ca 0.11 -1.03 -0.13 0.00 0.00 0.00 0.00 53.44 52.39 1jr0 n ALA 97 Cb 0.43 -0.06 -0.04 0.00 0.00 0.00 0.00 19.45 19.78 1jr0 n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jr0 s ALA 98 N -2.42 -1.44 0.00 0.00 0.00 -0.77 -4.97 121.76 112.16 1jr0 s ALA 98 Ca -0.17 0.54 0.02 0.00 0.00 0.00 0.00 51.96 52.36 1jr0 s ALA 98 Cb 0.06 0.61 -0.01 0.00 0.00 0.00 0.00 23.12 23.78 1jr0 s ALA 98 CO 0.61 -0.63 -0.08 -1.50 0.00 0.00 0.00 175.76 174.16 1jr0 s ILE 99 N -3.08 0.62 0.01 0.00 2.07 -1.26 -1.05 121.20 118.50 1jr0 s ILE 99 Ca -0.02 -0.46 0.07 0.00 -1.41 0.00 0.00 60.65 58.84 1jr0 s ILE 99 Cb -0.00 -0.54 -0.02 0.00 0.13 0.00 0.00 42.46 42.02 1jr0 s ILE 99 CO -0.07 0.09 -0.22 -0.94 -1.91 0.00 0.00 174.94 171.89 1jr0 s SER 100 N -0.41 2.62 -0.07 4.50 1.04 -0.10 -5.01 113.70 116.27 1jr0 s SER 100 Ca 0.01 -0.46 0.04 0.00 0.48 0.00 0.00 55.95 56.03 1jr0 s SER 100 Cb -0.04 -0.26 -0.00 0.00 0.10 0.00 0.00 66.02 65.81 1jr0 s SER 100 CO -0.00 0.24 -0.21 -0.04 0.98 0.00 0.00 173.24 174.21 1jr0 s MET 101 N -0.80 2.36 0.07 4.02 -1.94 -1.26 -0.30 119.30 121.45 1jr0 s MET 101 Ca 0.09 -0.74 -0.22 0.00 -1.71 0.00 0.00 55.69 53.10 1jr0 s MET 101 Cb -0.09 -1.92 0.06 0.00 2.01 0.00 0.00 34.83 34.89 1jr0 s MET 101 CO 0.00 0.23 0.54 0.00 -0.01 0.00 0.00 175.02 175.78 1jr0 s ALA 102 N 0.15 -1.38 0.00 3.03 0.00 -1.22 -4.87 121.76 117.48 1jr0 s ALA 102 Ca -0.10 0.56 0.00 0.00 0.00 0.00 0.00 51.96 52.42 1jr0 s ALA 102 Cb -0.15 0.50 0.00 0.00 0.00 0.00 0.00 23.12 23.47 1jr0 s ALA 102 CO 0.05 -0.57 0.00 0.09 0.00 0.00 0.00 175.76 175.33