#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 2.30 0.07 1.09 0.04 -1.26 -4.94 135.00 132.30 1jr0 s PRO 2 Ca 0.00 1.49 0.23 0.00 0.04 0.00 0.00 61.00 62.76 1jr0 s PRO 2 Cb 0.00 -1.88 0.15 0.00 0.04 0.00 0.00 34.50 32.81 1jr0 s PRO 2 CO 0.00 -1.66 1.12 1.04 0.04 0.00 0.00 177.00 177.55 1jr0 n GLN 3 N -2.89 0.28 -3.70 4.56 1.13 -1.26 -4.97 117.38 110.51 1jr0 n GLN 3 Ca 0.11 0.02 -0.09 0.00 -1.94 0.00 0.00 57.00 55.11 1jr0 n GLN 3 Cb 0.52 -1.61 -0.02 0.00 0.11 0.00 0.00 30.24 29.23 1jr0 n GLN 3 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1jr0 s ASN 4 N -3.97 -0.36 0.41 1.08 2.20 -1.26 -5.06 114.94 107.99 1jr0 s ASN 4 Ca 0.05 -0.39 0.14 0.00 -0.94 0.00 0.00 52.86 51.71 1jr0 s ASN 4 Cb 0.14 0.68 0.87 0.00 -2.00 0.00 0.00 41.25 40.94 1jr0 s ASN 4 CO 0.77 -1.20 1.91 -0.29 -2.94 0.00 0.00 177.10 175.36 1jr0 h ILE 5 N 2.00 1.19 -0.36 0.54 2.10 -1.96 -1.91 117.51 119.12 1jr0 h ILE 5 Ca -0.24 -0.92 -0.07 0.00 1.08 0.00 0.00 64.86 64.70 1jr0 h ILE 5 Cb 1.27 1.50 -0.01 0.00 -1.09 0.00 0.00 36.82 38.48 1jr0 h ILE 5 CO 0.28 0.26 -0.04 0.74 -1.08 0.00 0.00 178.15 178.32 1jr0 h THR 6 N 0.00 1.27 -0.48 2.19 2.02 -1.99 -1.00 112.91 114.92 1jr0 h THR 6 Ca -0.00 -1.07 -0.09 0.00 0.77 0.00 0.00 66.41 66.02 1jr0 h THR 6 Cb 0.48 1.24 -0.02 0.00 -1.74 0.00 0.00 68.15 68.11 1jr0 h THR 6 CO 0.03 0.35 -0.08 0.44 0.37 0.00 0.00 175.52 176.64 1jr0 h ASP 7 N 0.46 0.84 -0.07 4.18 3.32 -1.94 -2.31 116.42 120.90 1jr0 h ASP 7 Ca 0.10 -0.25 0.01 0.00 0.02 0.00 0.00 57.03 56.91 1jr0 h ASP 7 Cb 0.53 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 1jr0 h ASP 7 CO 0.03 0.95 0.02 0.25 -1.72 0.00 0.00 179.24 178.76 1jr0 h LEU 8 N 0.78 0.01 -1.11 1.55 6.46 -1.20 -2.91 115.31 118.89 1jr0 h LEU 8 Ca 0.13 0.01 0.04 0.00 -0.12 0.00 0.00 57.88 57.94 1jr0 h LEU 8 Cb 0.58 0.01 -0.05 0.00 -0.73 0.00 0.00 40.66 40.47 1jr0 h LEU 8 CO 0.04 0.02 0.60 0.00 -0.62 0.00 0.00 178.44 178.48 1jr0 n ALA 10 N -2.39 1.46 1.11 0.00 0.00 -0.89 -2.28 120.51 117.51 1jr0 n ALA 10 Ca 0.13 0.03 0.14 0.00 0.00 0.00 0.00 53.44 53.73 1jr0 n ALA 10 Cb 0.12 -1.25 0.64 0.00 0.00 0.00 0.00 19.45 18.96 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 -1.81 0.17 -4.59 0.00 1.02 -0.66 -4.86 120.64 109.91 1jr0 n GLU 11 Ca 0.02 0.02 -0.30 0.00 -0.02 0.00 0.00 57.16 56.88 1jr0 n GLU 11 Cb 0.14 -1.50 -0.13 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 -2.82 2.43 0.65 -0.32 1.51 -0.97 -5.13 117.35 112.69 1jr0 s TYR 12 Ca 0.19 -0.33 -0.14 0.00 -1.01 0.00 0.00 57.07 55.78 1jr0 s TYR 12 Cb 0.18 -1.37 -0.01 0.00 -0.11 0.00 0.00 41.96 40.66 1jr0 s TYR 12 CO 0.47 0.27 1.07 -1.01 -1.11 0.00 0.00 175.55 175.23 1jr0 s HIS 13 N -0.97 2.96 -1.50 2.71 3.76 -1.26 -4.15 115.29 116.84 1jr0 s HIS 13 Ca 0.14 1.49 -0.06 0.00 -0.15 0.00 0.00 55.06 56.48 1jr0 s HIS 13 Cb -0.10 -2.98 0.01 0.00 1.11 0.00 0.00 32.58 30.62 1jr0 s HIS 13 CO 0.06 -1.26 0.75 0.09 -0.85 0.00 0.00 174.74 173.52 1jr0 n ASN 14 N -2.57 -5.99 -4.44 1.40 5.03 -1.26 -4.95 115.26 102.48 1jr0 n ASN 14 Ca 0.08 -0.37 -0.22 0.00 0.87 0.00 0.00 54.58 54.94 1jr0 n ASN 14 Cb 0.53 -4.81 -0.10 0.00 -1.02 0.00 0.00 39.78 34.37 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 -3.20 2.12 0.12 3.41 -4.23 -1.26 -0.71 115.64 111.89 1jr0 s THR 15 Ca 0.39 -2.28 -0.14 0.00 -1.18 0.00 0.00 61.69 58.48 1jr0 s THR 15 Cb -0.18 -2.31 0.02 0.00 1.34 0.00 0.00 72.50 71.37 1jr0 s THR 15 CO 0.48 -0.40 0.35 0.00 -0.54 0.00 0.00 174.62 174.51 1jr0 s GLN 16 N -3.59 1.04 -0.17 3.99 -2.07 -0.47 -4.89 119.66 113.49 1jr0 s GLN 16 Ca 0.28 -0.81 -0.14 0.00 -1.82 0.00 0.00 55.36 52.88 1jr0 s GLN 16 Cb -0.01 0.44 -0.05 0.00 -1.09 0.00 0.00 33.01 32.30 1jr0 s GLN 16 CO 0.13 -0.39 0.30 0.42 -1.32 0.00 0.00 175.29 174.42 1jr0 s ILE 17 N -3.83 5.30 -0.19 3.63 -1.09 -1.26 -1.26 121.20 122.49 1jr0 s ILE 17 Ca 0.05 0.54 -0.06 0.00 -2.23 0.00 0.00 60.65 58.95 1jr0 s ILE 17 Cb 0.02 -3.64 -0.03 0.00 -1.58 0.00 0.00 42.46 37.24 1jr0 s ILE 17 CO -0.10 0.37 0.04 -1.00 -1.23 0.00 0.00 174.94 173.01 1jr0 s HIS 18 N 0.61 3.14 -0.39 3.97 3.76 -0.02 -4.99 115.29 121.37 1jr0 s HIS 18 Ca 0.16 -0.18 -0.11 0.00 -0.15 0.00 0.00 55.06 54.78 1jr0 s HIS 18 Cb -0.13 -2.09 0.04 0.00 1.11 0.00 0.00 32.58 31.51 1jr0 s HIS 18 CO 0.04 -0.05 0.23 0.99 -0.85 0.00 0.00 174.74 175.10 1jr0 s THR 19 N 0.74 4.53 -0.24 1.30 2.01 -1.26 -1.02 115.64 121.70 1jr0 s THR 19 Ca 0.02 -1.00 -0.10 0.00 0.31 0.00 0.00 61.69 60.91 1jr0 s THR 19 Cb -0.14 -3.59 -0.17 0.00 0.01 0.00 0.00 72.50 68.61 1jr0 s THR 19 CO 0.02 -0.32 -0.11 0.18 -0.69 0.00 0.00 174.62 173.70 1jr0 n LEU 20 N 4.99 2.30 -4.17 4.42 7.99 0.24 -5.00 117.00 127.77 1jr0 n LEU 20 Ca -0.11 0.21 -0.31 0.00 -0.01 0.00 0.00 56.01 55.79 1jr0 n LEU 20 Cb 0.45 -0.92 -0.06 0.00 -0.11 0.00 0.00 43.42 42.78 1jr0 n LEU 20 CO 0.38 0.65 -0.37 0.59 -1.51 0.00 0.00 177.39 177.13 1jr0 n ASN 21 N -3.92 -0.09 -3.59 -1.43 3.02 -0.02 -4.95 115.26 104.27 1jr0 n ASN 21 Ca -0.45 -1.20 -0.14 0.00 -0.03 0.00 0.00 54.58 52.77 1jr0 n ASN 21 Cb 0.90 -2.08 -0.06 0.00 -0.61 0.00 0.00 39.78 37.93 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 -4.27 -0.43 0.75 6.41 2.15 -0.78 -4.90 116.67 115.61 1jr0 s ASP 22 Ca 0.06 0.21 -0.11 0.00 0.43 0.00 0.00 52.55 53.14 1jr0 s ASP 22 Cb -0.03 0.47 0.04 0.00 -0.30 0.00 0.00 42.92 43.11 1jr0 s ASP 22 CO 0.96 -0.68 1.09 -1.59 -0.17 0.00 0.00 175.17 174.78 1jr0 s LYS 23 N -2.22 2.42 0.13 4.34 -2.85 -1.26 -0.86 119.74 119.43 1jr0 s LYS 23 Ca -0.07 1.14 -0.30 0.00 -1.00 0.00 0.00 55.97 55.74 1jr0 s LYS 23 Cb -0.01 -1.92 -0.07 0.00 -2.06 0.00 0.00 37.83 33.77 1jr0 s LYS 23 CO -0.00 -1.52 1.25 0.42 0.10 0.00 0.00 175.35 175.61 1jr0 s ILE 24 N -2.90 3.61 -0.01 3.79 1.01 -1.26 -4.69 121.20 120.75 1jr0 s ILE 24 Ca 0.61 1.24 -0.10 0.00 0.00 0.00 0.00 60.65 62.40 1jr0 s ILE 24 Cb -0.17 -3.79 -0.31 0.00 0.01 0.00 0.00 42.46 38.20 1jr0 s ILE 24 CO 0.55 0.14 0.80 0.15 0.00 0.00 0.00 174.94 176.58 1jr0 h PHE 25 N 6.10 0.70 -3.34 3.97 3.57 -1.18 -3.47 116.94 123.28 1jr0 h PHE 25 Ca -0.43 -0.51 -0.14 0.00 3.53 0.00 0.00 57.97 60.42 1jr0 h PHE 25 Cb 1.21 -0.03 -0.21 0.00 2.79 0.00 0.00 35.95 39.72 1jr0 h PHE 25 CO 0.64 1.56 -0.42 -1.54 -2.23 0.00 0.00 178.31 176.33 1jr0 s SER 26 N -7.27 -0.06 -0.10 0.41 1.04 -0.98 -4.98 113.70 101.78 1jr0 s SER 26 Ca -0.12 -0.07 0.01 0.00 0.48 0.00 0.00 55.95 56.25 1jr0 s SER 26 Cb 0.06 0.26 0.02 0.00 0.10 0.00 0.00 66.02 66.45 1jr0 s SER 26 CO 0.87 -0.38 -0.12 -0.47 0.98 0.00 0.00 173.24 174.13 1jr0 s TYR 27 N -1.27 1.64 -0.03 5.02 5.04 -1.26 -1.83 117.35 124.66 1jr0 s TYR 27 Ca -0.13 -0.74 0.05 0.00 -2.44 0.00 0.00 57.07 53.80 1jr0 s TYR 27 Cb -0.06 -1.24 -0.01 0.00 0.35 0.00 0.00 41.96 41.00 1jr0 s TYR 27 CO 0.02 -0.42 -0.16 0.99 -1.34 0.00 0.00 175.55 174.64 1jr0 s THR 28 N 1.11 1.33 0.01 4.34 2.01 0.22 -5.01 115.64 119.64 1jr0 s THR 28 Ca -0.06 -0.69 -0.01 0.00 0.31 0.00 0.00 61.69 61.24 1jr0 s THR 28 Cb -0.14 -1.13 -0.01 0.00 0.01 0.00 0.00 72.50 71.23 1jr0 s THR 28 CO -0.02 0.38 0.01 -1.83 -0.69 0.00 0.00 174.62 172.47 1jr0 s GLU 29 N -0.17 0.25 -0.02 4.92 -1.05 -1.26 -0.68 118.70 120.69 1jr0 s GLU 29 Ca 0.02 -0.40 0.04 0.00 -0.15 0.00 0.00 54.97 54.48 1jr0 s GLU 29 Cb -0.09 0.09 -0.01 0.00 -0.44 0.00 0.00 34.13 33.69 1jr0 s GLU 29 CO 0.01 -0.05 -0.14 0.45 0.95 0.00 0.00 175.26 176.48 1jr0 s SER 30 N -1.02 1.68 0.00 0.83 0.15 -0.70 -5.01 113.70 109.63 1jr0 s SER 30 Ca -0.11 -0.26 0.16 0.00 0.70 0.00 0.00 55.95 56.44 1jr0 s SER 30 Cb -0.07 -0.27 0.22 0.00 -1.71 0.00 0.00 66.02 64.19 1jr0 s SER 30 CO -0.00 0.16 1.12 0.00 1.20 0.00 0.00 173.24 175.71 1jr0 n LEU 31 N 2.88 2.64 -4.78 3.45 -0.00 -1.26 -2.80 117.00 117.13 1jr0 n LEU 31 Ca -0.15 -1.27 -0.41 0.00 -0.00 0.00 0.00 56.01 54.18 1jr0 n LEU 31 Cb 0.55 -0.09 -0.01 0.00 -0.00 0.00 0.00 43.42 43.87 1jr0 n LEU 31 CO 0.24 0.53 1.09 0.00 -0.00 0.00 0.00 177.39 179.26 1jr0 s ALA 32 N -1.27 3.54 0.23 1.47 0.00 -1.26 -4.81 121.76 119.66 1jr0 s ALA 32 Ca 0.23 1.49 -0.31 0.00 0.00 0.00 0.00 51.96 53.37 1jr0 s ALA 32 Cb 0.15 -3.58 -0.11 0.00 0.00 0.00 0.00 23.12 19.58 1jr0 s ALA 32 CO 0.21 -0.96 1.64 0.20 0.00 0.00 0.00 175.76 176.85 1jr0 s GLY 33 N -0.25 1.63 0.00 0.00 0.00 -1.26 -0.82 107.32 106.61 1jr0 s GLY 33 Ca 0.52 1.54 0.00 0.00 0.00 0.00 0.00 44.72 46.78 1jr0 s GLY 33 CO 0.60 2.70 0.00 0.28 0.00 0.00 0.00 173.10 176.68 1jr0 n LYS 34 N 3.28 -0.46 -2.57 2.90 5.02 -1.26 -4.81 118.16 120.25 1jr0 n LYS 34 Ca 0.12 0.11 -0.11 0.00 -2.02 0.00 0.00 58.31 56.42 1jr0 n LYS 34 Cb 0.37 -3.63 0.03 0.00 -0.02 0.00 0.00 35.03 31.78 1jr0 n LYS 34 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1jr0 n ARG 35 N -1.62 2.20 -2.69 1.97 5.12 -0.00 -4.97 116.66 116.67 1jr0 n ARG 35 Ca 0.00 -3.72 -0.42 0.00 -1.93 0.00 0.00 57.85 51.79 1jr0 n ARG 35 Cb 0.11 -1.74 -0.03 0.00 -1.16 0.00 0.00 32.46 29.65 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 -3.55 3.57 0.25 5.56 8.01 -1.15 -4.31 118.70 127.08 1jr0 s GLU 36 Ca 0.35 -1.29 -0.12 0.00 0.01 0.00 0.00 54.97 53.92 1jr0 s GLU 36 Cb 0.39 -5.15 -0.01 0.00 -4.31 0.00 0.00 34.13 25.05 1jr0 s GLU 36 CO -0.02 -2.05 0.45 0.00 0.01 0.00 0.00 175.26 173.65 1jr0 s MET 37 N 4.23 1.54 0.10 1.61 0.23 -1.12 -4.21 119.30 121.67 1jr0 s MET 37 Ca 0.41 -1.30 0.08 0.00 -1.03 0.00 0.00 55.69 53.85 1jr0 s MET 37 Cb -0.02 0.46 -0.03 0.00 -1.53 0.00 0.00 34.83 33.70 1jr0 s MET 37 CO -0.08 -0.63 -0.22 0.00 -2.03 0.00 0.00 175.02 172.06 1jr0 s ALA 38 N -3.99 1.86 -0.05 3.16 0.00 -1.20 -1.71 121.76 119.83 1jr0 s ALA 38 Ca 0.24 -1.24 0.02 0.00 0.00 0.00 0.00 51.96 50.98 1jr0 s ALA 38 Cb -0.00 -0.28 0.01 0.00 0.00 0.00 0.00 23.12 22.86 1jr0 s ALA 38 CO 0.10 0.39 -0.09 0.42 0.00 0.00 0.00 175.76 176.57 1jr0 s ILE 39 N -1.10 0.86 0.17 0.00 1.01 0.14 -0.76 121.20 121.53 1jr0 s ILE 39 Ca 0.07 -0.34 0.10 0.00 0.00 0.00 0.00 60.65 60.48 1jr0 s ILE 39 Cb -0.10 -0.81 -0.04 0.00 0.01 0.00 0.00 42.46 41.52 1jr0 s ILE 39 CO 0.04 0.29 -0.22 0.27 0.00 0.00 0.00 174.94 175.32 1jr0 s ILE 40 N 0.62 2.08 0.16 2.92 -4.36 -0.01 -0.61 121.20 122.01 1jr0 s ILE 40 Ca -0.11 -1.93 0.04 0.00 -0.26 0.00 0.00 60.65 58.39 1jr0 s ILE 40 Cb -0.14 -1.96 -0.05 0.00 1.25 0.00 0.00 42.46 41.57 1jr0 s ILE 40 CO 0.02 -0.18 -0.08 0.42 0.24 0.00 0.00 174.94 175.36 1jr0 s THR 41 N -1.74 1.14 0.30 8.37 -4.23 -0.76 -1.06 115.64 117.65 1jr0 s THR 41 Ca 0.17 -2.06 0.09 0.00 -1.18 0.00 0.00 61.69 58.71 1jr0 s THR 41 Cb -0.07 -1.94 -0.04 0.00 1.34 0.00 0.00 72.50 71.79 1jr0 s THR 41 CO 0.08 -0.67 0.08 -0.36 -0.54 0.00 0.00 174.62 173.21 1jr0 s PHE 42 N -3.35 2.75 0.39 3.99 0.40 -0.39 -0.63 117.98 121.14 1jr0 s PHE 42 Ca 0.19 -0.27 0.14 0.00 -0.60 0.00 0.00 56.93 56.39 1jr0 s PHE 42 Cb 0.03 -1.41 0.99 0.00 0.51 0.00 0.00 43.02 43.14 1jr0 s PHE 42 CO 0.02 0.49 1.83 -0.22 0.70 0.00 0.00 175.22 178.04 1jr0 h LYS 43 N 1.70 0.49 0.00 0.44 1.63 -1.89 0.11 116.57 119.04 1jr0 h LYS 43 Ca -0.44 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.33 1jr0 h LYS 43 Cb 1.25 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.77 1jr0 h LYS 43 CO 0.62 0.33 0.00 0.27 -3.45 0.00 0.00 179.45 177.21 1jr0 n ASN 44 N -4.57 0.00 0.00 4.20 6.94 -1.26 -4.88 115.26 115.68 1jr0 n ASN 44 Ca 0.20 -0.28 0.00 0.00 -0.02 0.00 0.00 54.58 54.49 1jr0 n ASN 44 Cb 0.67 -0.19 0.00 0.00 -2.36 0.00 0.00 39.78 37.90 1jr0 n ASN 44 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1jr0 n GLY 45 N 0.61 1.42 3.73 4.83 0.00 0.36 -5.04 105.19 111.10 1jr0 n GLY 45 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1jr0 n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jr0 n ALA 46 N -1.74 2.42 -2.90 4.61 0.00 -1.25 -4.72 120.51 116.93 1jr0 n ALA 46 Ca 0.00 0.39 -0.28 0.00 0.00 0.00 0.00 53.44 53.55 1jr0 n ALA 46 Cb 0.00 -2.45 -0.16 0.00 0.00 0.00 0.00 19.45 16.83 1jr0 n ALA 46 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1jr0 s THR 47 N 0.35 1.63 0.05 0.00 2.01 -1.26 -1.26 115.64 117.17 1jr0 s THR 47 Ca 0.68 -0.82 0.02 0.00 0.31 0.00 0.00 61.69 61.88 1jr0 s THR 47 Cb -0.52 -1.40 -0.03 0.00 0.01 0.00 0.00 72.50 70.56 1jr0 s THR 47 CO 0.44 0.46 -0.07 -0.36 -0.69 0.00 0.00 174.62 174.40 1jr0 s PHE 48 N 0.02 0.70 0.18 4.92 0.08 -0.23 -3.96 117.98 119.69 1jr0 s PHE 48 Ca -0.05 -0.59 0.11 0.00 0.12 0.00 0.00 56.93 56.52 1jr0 s PHE 48 Cb -0.13 -0.42 -0.04 0.00 -0.57 0.00 0.00 43.02 41.86 1jr0 s PHE 48 CO 0.03 -0.10 -0.24 1.14 -0.10 0.00 0.00 175.22 175.95 1jr0 s GLN 49 N -2.04 1.53 -0.36 0.44 -2.07 -0.38 -0.83 119.66 115.96 1jr0 s GLN 49 Ca -0.06 -1.47 -0.16 0.00 -1.82 0.00 0.00 55.36 51.85 1jr0 s GLN 49 Cb -0.07 -1.88 -0.01 0.00 -1.09 0.00 0.00 33.01 29.97 1jr0 s GLN 49 CO -0.01 0.41 0.37 0.08 -1.32 0.00 0.00 175.29 174.83 1jr0 s VAL 50 N -1.55 5.16 0.66 3.63 1.01 0.06 -0.74 120.40 128.63 1jr0 s VAL 50 Ca 0.20 -0.03 -0.17 0.00 0.00 0.00 0.00 61.98 61.98 1jr0 s VAL 50 Cb -0.08 -3.86 -0.00 0.00 0.00 0.00 0.00 36.38 32.43 1jr0 s VAL 50 CO 0.09 -0.15 1.24 -1.61 0.00 0.00 0.00 175.10 174.67 1jr0 s GLU 51 N 2.03 2.55 0.25 2.72 2.02 -1.26 -3.23 118.70 123.79 1jr0 s GLU 51 Ca 0.12 1.90 -0.31 0.00 0.02 0.00 0.00 54.97 56.70 1jr0 s GLU 51 Cb -0.17 -1.87 -0.12 0.00 0.10 0.00 0.00 34.13 32.08 1jr0 s GLU 51 CO 0.12 -1.55 1.61 0.28 0.02 0.00 0.00 175.26 175.74 1jr0 n VAL 52 N -2.06 0.66 -1.75 2.63 0.31 -1.26 -4.89 118.33 111.97 1jr0 n VAL 52 Ca 0.14 -0.16 -0.40 0.00 -0.01 0.00 0.00 64.34 63.91 1jr0 n VAL 52 Cb 0.49 -1.89 0.02 0.00 -0.91 0.00 0.00 33.84 31.55 1jr0 n VAL 52 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1jr0 n PRO 53 N 2.73 2.20 -3.83 5.55 -0.02 -1.26 -4.94 135.00 135.43 1jr0 n PRO 53 Ca 0.12 0.78 -0.06 0.00 -2.02 0.00 0.00 63.50 62.32 1jr0 n PRO 53 Cb 0.35 -2.59 0.01 0.00 -0.02 0.00 0.00 33.50 31.24 1jr0 n PRO 53 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1jr0 s GLY 54 N -0.48 0.10 0.20 -1.23 0.00 -1.26 -5.04 107.32 99.61 1jr0 s GLY 54 Ca 0.61 -0.40 0.22 0.00 0.00 0.00 0.00 44.72 45.16 1jr0 s GLY 54 CO 0.57 0.45 1.68 -1.14 0.00 0.00 0.00 173.10 174.66 1jr0 n SER 55 N -0.99 0.54 0.05 1.64 3.41 -1.26 -1.38 113.62 115.63 1jr0 n SER 55 Ca -0.06 0.62 0.11 0.00 -0.26 0.00 0.00 58.87 59.29 1jr0 n SER 55 Cb 0.60 -0.74 0.46 0.00 -0.26 0.00 0.00 64.21 64.27 1jr0 n SER 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jr0 n GLN 56 N -2.09 0.09 -3.56 4.33 0.00 -1.26 -4.79 117.38 110.10 1jr0 n GLN 56 Ca 0.03 0.20 -0.36 0.00 0.00 0.00 0.00 57.00 56.86 1jr0 n GLN 56 Cb 0.24 -1.64 -0.06 0.00 0.00 0.00 0.00 30.24 28.78 1jr0 n GLN 56 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 1jr0 s HIS 57 N -3.08 3.65 0.47 2.61 3.76 -0.48 -5.10 115.29 117.13 1jr0 s HIS 57 Ca 0.09 0.87 -0.01 0.00 -0.15 0.00 0.00 55.06 55.86 1jr0 s HIS 57 Cb 0.13 -2.20 -0.00 0.00 1.11 0.00 0.00 32.58 31.61 1jr0 s HIS 57 CO 0.44 0.60 0.71 0.96 -0.85 0.00 0.00 174.74 176.59 1jr0 s ILE 58 N -1.22 3.98 0.25 0.60 -4.36 -1.26 -4.90 121.20 114.29 1jr0 s ILE 58 Ca 0.27 -0.40 -0.05 0.00 -0.26 0.00 0.00 60.65 60.21 1jr0 s ILE 58 Cb -0.15 -3.49 0.24 0.00 1.25 0.00 0.00 42.46 40.31 1jr0 s ILE 58 CO 0.15 -0.37 1.88 0.44 0.24 0.00 0.00 174.94 177.28 1jr0 h ASP 59 N 0.31 0.98 0.11 4.36 3.32 -1.98 -0.40 116.42 123.12 1jr0 h ASP 59 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1jr0 h ASP 59 Cb 1.25 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.59 1jr0 h ASP 59 CO 0.58 0.65 0.00 0.77 -1.72 0.00 0.00 179.24 179.52 1jr0 h SER 60 N 1.13 0.00 1.57 6.45 4.64 -2.05 -1.63 113.55 123.67 1jr0 h SER 60 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 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 0.00 -0.14 1.56 -0.87 0.00 0.00 176.83 177.23 1jr0 h GLN 61 N 0.00 0.00 -0.11 4.77 4.20 -1.45 -3.38 115.11 119.14 1jr0 h GLN 61 Ca 0.00 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.72 1jr0 h GLN 61 Cb 0.05 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 1jr0 h GLN 61 CO 0.00 0.00 0.04 0.87 -0.67 0.00 0.00 178.83 179.07 1jr0 h LYS 62 N 0.00 0.10 -0.26 1.46 1.57 -1.35 0.45 116.57 118.54 1jr0 h LYS 62 Ca 0.00 -0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 1jr0 h LYS 62 Cb 0.86 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.13 1jr0 h LYS 62 CO 0.00 0.07 -0.17 0.87 -0.57 0.00 0.00 179.45 179.65 1jr0 h LYS 63 N 0.10 0.45 -0.22 3.15 1.57 -1.77 -2.83 116.57 117.03 1jr0 h LYS 63 Ca 0.04 -0.14 -0.12 0.00 -1.87 0.00 0.00 60.65 58.56 1jr0 h LYS 63 Cb 0.01 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1jr0 h LYS 63 CO -0.04 0.61 -0.39 0.00 -0.57 0.00 0.00 179.45 179.06 1jr0 h ALA 64 N 1.41 0.92 -0.43 3.86 0.00 -1.55 -1.09 119.26 122.38 1jr0 h ALA 64 Ca 0.07 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1jr0 h ALA 64 Cb 0.53 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1jr0 h ALA 64 CO 0.03 0.63 0.21 0.82 0.00 0.00 0.00 179.25 180.94 1jr0 h ILE 65 N 0.42 1.18 -0.68 0.00 2.04 -0.72 -0.54 117.51 119.20 1jr0 h ILE 65 Ca 0.04 -0.49 -0.08 0.00 1.00 0.00 0.00 64.86 65.33 1jr0 h ILE 65 Cb 0.87 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 1jr0 h ILE 65 CO 0.07 0.19 0.12 -0.33 0.00 0.00 0.00 178.15 178.20 1jr0 h GLU 66 N 0.56 1.11 -0.76 2.37 4.39 -1.26 -2.49 114.58 118.50 1jr0 h GLU 66 Ca 0.15 -0.29 -0.03 0.00 0.34 0.00 0.00 59.36 59.53 1jr0 h GLU 66 Cb 0.11 -0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 28.59 1jr0 h GLU 66 CO -0.02 1.01 0.37 -0.09 -1.16 0.00 0.00 179.01 179.12 1jr0 h ARG 67 N 1.04 1.09 -0.59 2.33 2.43 -0.98 -2.22 114.38 117.47 1jr0 h ARG 67 Ca 0.21 -0.15 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 1jr0 h ARG 67 Cb 0.43 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 1jr0 h ARG 67 CO 0.01 0.84 0.32 1.98 -1.51 0.00 0.00 179.97 181.61 1jr0 h MET 68 N 1.08 0.83 -0.64 0.20 4.05 -0.74 0.18 114.93 119.89 1jr0 h MET 68 Ca 0.26 -0.10 -0.03 0.00 -0.28 0.00 0.00 59.70 59.55 1jr0 h MET 68 Cb 0.11 -0.16 -0.03 0.00 -0.80 0.00 0.00 31.60 30.71 1jr0 h MET 68 CO -0.03 0.64 0.27 0.87 0.23 0.00 0.00 176.91 178.88 1jr0 h LYS 69 N 0.80 0.93 -0.43 0.39 1.57 -1.25 0.35 116.57 118.93 1jr0 h LYS 69 Ca 0.21 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1jr0 h LYS 69 Cb 0.05 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 1jr0 h LYS 69 CO -0.03 0.75 0.27 -0.44 -0.57 0.00 0.00 179.45 179.43 1jr0 h ASP 70 N 0.92 0.50 -0.55 0.86 3.32 -0.72 -2.11 116.42 118.63 1jr0 h ASP 70 Ca 0.22 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.22 1jr0 h ASP 70 Cb 0.16 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 1jr0 h ASP 70 CO -0.02 0.38 0.27 0.74 -1.72 0.00 0.00 179.24 178.89 1jr0 h THR 71 N 0.57 1.20 -0.66 0.35 2.02 -0.09 -2.36 112.91 113.93 1jr0 h THR 71 Ca 0.15 -0.55 -0.07 0.00 0.77 0.00 0.00 66.41 66.71 1jr0 h THR 71 Cb -0.04 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 66.90 1jr0 h THR 71 CO -0.03 0.22 0.14 -0.07 0.37 0.00 0.00 175.52 176.15 1jr0 h LEU 72 N 0.73 1.01 -0.21 2.58 3.38 -0.81 0.29 115.31 122.28 1jr0 h LEU 72 Ca 0.19 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1jr0 h LEU 72 Cb 0.11 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1jr0 h LEU 72 CO -0.02 0.99 0.06 -0.09 0.09 0.00 0.00 178.44 179.47 1jr0 h ARG 73 N 1.01 0.33 -0.04 1.13 2.43 -1.24 -0.21 114.38 117.80 1jr0 h ARG 73 Ca 0.21 -0.07 -0.17 0.00 -0.81 0.00 0.00 59.98 59.14 1jr0 h ARG 73 Cb 0.39 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 1jr0 h ARG 73 CO 0.01 0.43 -0.71 0.97 -1.51 0.00 0.00 179.97 179.16 1jr0 h ILE 74 N 0.17 1.43 -0.33 1.20 2.10 -1.31 -1.10 117.51 119.67 1jr0 h ILE 74 Ca 0.07 -2.24 0.02 0.00 1.08 0.00 0.00 64.86 63.78 1jr0 h ILE 74 Cb 0.24 2.19 -0.03 0.00 -1.09 0.00 0.00 36.82 38.14 1jr0 h ILE 74 CO -0.00 0.66 0.18 0.00 -1.08 0.00 0.00 178.15 177.90 1jr0 h ALA 75 N 1.11 0.41 -0.13 0.18 0.00 -0.85 -0.96 119.26 119.02 1jr0 h ALA 75 Ca -0.02 0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.92 1jr0 h ALA 75 Cb 1.27 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 1jr0 h ALA 75 CO 0.11 -0.19 -0.05 -0.92 0.00 0.00 0.00 179.25 178.19 1jr0 h TYR 76 N 0.36 -0.11 -0.06 0.00 3.20 -0.72 -0.95 116.97 118.68 1jr0 h TYR 76 Ca 0.14 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.93 1jr0 h TYR 76 Cb 0.04 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 1jr0 h TYR 76 CO -0.09 -0.08 -0.39 -0.07 -1.64 0.00 0.00 178.16 175.89 1jr0 h LEU 77 N -0.03 0.13 -0.79 2.82 3.38 -0.98 -2.51 115.31 117.34 1jr0 h LEU 77 Ca 0.07 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1jr0 h LEU 77 Cb 0.13 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1jr0 h LEU 77 CO -0.15 0.51 -0.17 0.35 0.09 0.00 0.00 178.44 179.07 1jr0 n THR 78 N -4.06 0.00 -2.71 0.22 -2.24 -0.38 -4.94 114.28 100.17 1jr0 n THR 78 Ca -0.02 -0.21 -0.21 0.00 -2.27 0.00 0.00 64.05 61.35 1jr0 n THR 78 Cb 0.44 0.58 0.01 0.00 -2.10 0.00 0.00 70.33 69.26 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 -0.18 -3.22 -2.02 -0.78 1.02 -0.45 -4.94 120.64 110.07 1jr0 n GLU 79 Ca 0.14 0.94 -0.42 0.00 -0.02 0.00 0.00 57.16 57.81 1jr0 n GLU 79 Cb 0.38 -5.70 -0.03 0.00 -0.02 0.00 0.00 31.44 26.07 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 -3.09 3.65 0.05 0.62 0.00 -0.67 -4.72 121.76 117.60 1jr0 s ALA 80 Ca 0.15 1.31 -0.31 0.00 0.00 0.00 0.00 51.96 53.11 1jr0 s ALA 80 Cb -0.07 -3.57 -0.06 0.00 0.00 0.00 0.00 23.12 19.43 1jr0 s ALA 80 CO 0.18 -0.73 1.31 0.21 0.00 0.00 0.00 175.76 176.73 1jr0 s LYS 81 N 0.08 4.35 -0.16 0.00 2.20 -1.26 -4.27 119.74 120.68 1jr0 s LYS 81 Ca 0.62 1.90 -0.22 0.00 -0.36 0.00 0.00 55.97 57.92 1jr0 s LYS 81 Cb -0.42 -3.39 -0.03 0.00 -1.51 0.00 0.00 37.83 32.48 1jr0 s LYS 81 CO 0.39 -0.41 0.66 0.08 -0.36 0.00 0.00 175.35 175.72 1jr0 s VAL 82 N 1.52 5.02 -0.02 4.02 1.01 -0.04 -3.44 120.40 128.47 1jr0 s VAL 82 Ca 0.62 1.29 -0.00 0.00 0.00 0.00 0.00 61.98 63.88 1jr0 s VAL 82 Cb -0.32 -3.98 -0.00 0.00 0.00 0.00 0.00 36.38 32.08 1jr0 s VAL 82 CO 0.28 0.15 0.03 -0.08 0.00 0.00 0.00 175.10 175.47 1jr0 h GLU 83 N 7.24 -0.01 -4.91 2.72 4.81 -0.92 0.16 114.58 123.67 1jr0 h GLU 83 Ca -0.34 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.57 1jr0 h GLU 83 Cb 1.16 0.00 -0.19 0.00 0.63 0.00 0.00 28.75 30.34 1jr0 h GLU 83 CO 0.78 -0.00 -0.74 0.15 -0.73 0.00 0.00 179.01 178.46 1jr0 s LYS 84 N -1.16 0.75 -0.07 1.92 1.02 -1.15 -0.59 119.74 120.45 1jr0 s LYS 84 Ca -0.00 -1.01 0.05 0.00 0.02 0.00 0.00 55.97 55.04 1jr0 s LYS 84 Cb 0.00 -0.51 -0.01 0.00 -0.52 0.00 0.00 37.83 36.79 1jr0 s LYS 84 CO 0.00 0.09 -0.24 -0.51 -0.92 0.00 0.00 175.35 173.77 1jr0 s LEU 85 N -2.08 2.10 -0.20 3.17 1.43 -0.18 -0.84 118.68 122.08 1jr0 s LEU 85 Ca -0.00 -0.52 -0.16 0.00 -1.03 0.00 0.00 54.13 52.42 1jr0 s LEU 85 Cb -0.06 -1.39 -0.04 0.00 0.03 0.00 0.00 46.19 44.73 1jr0 s LEU 85 CO 0.00 0.22 0.42 0.00 0.23 0.00 0.00 176.35 177.23 1jr0 s VAL 87 N 1.34 1.02 -0.08 0.00 -7.23 -0.39 -0.47 120.40 114.59 1jr0 s VAL 87 Ca 0.20 -1.46 -0.26 0.00 -1.81 0.00 0.00 61.98 58.66 1jr0 s VAL 87 Cb -0.15 -1.18 -0.03 0.00 0.56 0.00 0.00 36.38 35.58 1jr0 s VAL 87 CO 0.08 -0.39 0.81 0.26 -0.31 0.00 0.00 175.10 175.55 1jr0 s TRP 88 N -1.82 3.55 -1.82 2.82 0.51 0.84 -1.37 118.94 121.66 1jr0 s TRP 88 Ca 0.01 1.36 0.21 0.00 -2.12 0.00 0.00 56.10 55.56 1jr0 s TRP 88 Cb -0.07 -2.94 0.57 0.00 -0.81 0.00 0.00 33.47 30.22 1jr0 s TRP 88 CO 0.01 -0.04 1.48 0.27 -0.51 0.00 0.00 176.95 178.17 1jr0 n ASN 89 N 4.26 3.75 -1.69 2.95 0.23 0.11 -1.79 115.26 123.08 1jr0 n ASN 89 Ca 0.02 -2.00 0.06 0.00 -0.53 0.00 0.00 54.58 52.14 1jr0 n ASN 89 Cb 0.50 -0.43 0.35 0.00 -2.08 0.00 0.00 39.78 38.12 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 1.45 5.03 -4.14 0.53 6.94 -1.26 -4.89 115.26 118.92 1jr0 n ASN 90 Ca 0.22 -2.78 -0.15 0.00 -0.02 0.00 0.00 54.58 51.85 1jr0 n ASN 90 Cb 0.59 -0.66 -0.11 0.00 -2.36 0.00 0.00 39.78 37.24 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 -2.48 0.74 -0.11 -3.83 -0.14 -1.26 -5.10 119.74 107.57 1jr0 s LYS 91 Ca 0.47 -0.99 0.01 0.00 -1.36 0.00 0.00 55.97 54.09 1jr0 s LYS 91 Cb 0.35 -0.53 0.02 0.00 -1.68 0.00 0.00 37.83 36.00 1jr0 s LYS 91 CO 0.14 0.09 -0.11 0.99 -0.76 0.00 0.00 175.35 175.71 1jr0 s THR 92 N -1.86 1.20 0.87 2.17 2.01 -1.26 -2.98 115.64 115.80 1jr0 s THR 92 Ca -0.01 -0.44 -0.11 0.00 0.31 0.00 0.00 61.69 61.45 1jr0 s THR 92 Cb -0.07 -1.15 0.12 0.00 0.01 0.00 0.00 72.50 71.41 1jr0 s THR 92 CO 0.01 0.39 1.16 -2.84 -0.69 0.00 0.00 174.62 172.64 1jr0 s PRO 93 N 1.33 1.28 0.40 4.92 0.02 -1.26 -5.05 135.00 136.64 1jr0 s PRO 93 Ca -0.01 1.56 -0.25 0.00 0.02 0.00 0.00 61.00 62.32 1jr0 s PRO 93 Cb -0.14 -1.76 -0.11 0.00 0.02 0.00 0.00 34.50 32.52 1jr0 s PRO 93 CO -0.05 -2.44 1.05 0.72 -0.33 0.00 0.00 177.00 175.95 1jr0 n HIS 94 N -3.94 1.34 -3.62 6.54 8.25 -1.16 -4.47 115.22 118.16 1jr0 n HIS 94 Ca 0.12 0.57 -0.37 0.00 -0.26 0.00 0.00 57.72 57.78 1jr0 n HIS 94 Cb 0.52 -2.26 -0.09 0.00 1.12 0.00 0.00 29.99 29.28 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 -1.23 3.61 0.02 -1.41 0.00 -0.74 -1.25 121.76 120.76 1jr0 s ALA 95 Ca 0.62 -0.82 -0.30 0.00 0.00 0.00 0.00 51.96 51.46 1jr0 s ALA 95 Cb -0.57 -2.36 -0.06 0.00 0.00 0.00 0.00 23.12 20.13 1jr0 s ALA 95 CO 0.58 -0.18 1.36 0.42 0.00 0.00 0.00 175.76 177.94 1jr0 s ILE 96 N 1.04 3.71 -0.19 0.00 1.01 0.09 -0.11 121.20 126.74 1jr0 s ILE 96 Ca 0.09 1.13 0.08 0.00 0.00 0.00 0.00 60.65 61.96 1jr0 s ILE 96 Cb -0.13 -3.73 -0.17 0.00 0.01 0.00 0.00 42.46 38.43 1jr0 s ILE 96 CO 0.05 0.02 -0.08 0.00 0.00 0.00 0.00 174.94 174.93 1jr0 n ALA 97 N 4.95 1.56 -3.25 9.38 0.00 0.38 -4.83 120.51 128.70 1jr0 n ALA 97 Ca 0.12 -1.01 -0.13 0.00 0.00 0.00 0.00 53.44 52.42 1jr0 n ALA 97 Cb 0.44 -0.05 -0.04 0.00 0.00 0.00 0.00 19.45 19.79 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 -1.27 0.02 0.00 0.00 -0.88 -4.98 121.76 112.23 1jr0 s ALA 98 Ca -0.20 0.41 0.03 0.00 0.00 0.00 0.00 51.96 52.20 1jr0 s ALA 98 Cb 0.06 0.56 -0.01 0.00 0.00 0.00 0.00 23.12 23.73 1jr0 s ALA 98 CO 0.59 -0.59 -0.10 -1.50 0.00 0.00 0.00 175.76 174.16 1jr0 s ILE 99 N -3.04 0.74 -0.02 0.00 2.07 -1.26 -1.27 121.20 118.42 1jr0 s ILE 99 Ca -0.02 -0.67 0.06 0.00 -1.41 0.00 0.00 60.65 58.61 1jr0 s ILE 99 Cb -0.00 -0.68 -0.01 0.00 0.13 0.00 0.00 42.46 41.90 1jr0 s ILE 99 CO -0.06 0.02 -0.20 -0.94 -1.91 0.00 0.00 174.94 171.84 1jr0 s SER 100 N -0.73 2.37 -0.08 4.50 1.04 -0.02 -5.00 113.70 115.77 1jr0 s SER 100 Ca 0.00 -0.37 0.04 0.00 0.48 0.00 0.00 55.95 56.10 1jr0 s SER 100 Cb -0.06 -0.30 0.00 0.00 0.10 0.00 0.00 66.02 65.76 1jr0 s SER 100 CO 0.00 0.24 -0.20 -0.04 0.98 0.00 0.00 173.24 174.23 1jr0 s MET 101 N -0.43 2.43 -0.15 4.02 -1.94 -1.26 -0.34 119.30 121.63 1jr0 s MET 101 Ca 0.07 -0.71 -0.15 0.00 -1.71 0.00 0.00 55.69 53.19 1jr0 s MET 101 Cb -0.08 -1.92 0.04 0.00 2.01 0.00 0.00 34.83 34.87 1jr0 s MET 101 CO -0.00 0.17 0.42 0.00 -0.01 0.00 0.00 175.02 175.60 1jr0 s ALA 102 N 0.33 -1.04 -2.00 3.03 0.00 -1.22 -4.87 121.76 115.99 1jr0 s ALA 102 Ca -0.14 1.17 0.16 0.00 0.00 0.00 0.00 51.96 53.14 1jr0 s ALA 102 Cb -0.16 -0.66 0.93 0.00 0.00 0.00 0.00 23.12 23.23 1jr0 s ALA 102 CO 0.06 -0.20 1.34 0.27 0.00 0.00 0.00 175.76 177.23