#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jr5 n ASN 2 N 0.00 0.20 -4.38 6.12 5.15 -1.26 -5.07 115.26 116.02 1jr5 n ASN 2 Ca 0.00 -2.08 -0.20 0.00 -0.60 0.00 0.00 54.58 51.70 1jr5 n ASN 2 Cb 0.00 0.01 -0.10 0.00 -0.53 0.00 0.00 39.78 39.16 1jr5 n ASN 2 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1jr5 s LYS 3 N -1.46 1.60 0.15 1.20 3.01 -1.26 -5.05 119.74 117.94 1jr5 s LYS 3 Ca 0.19 -1.89 -0.15 0.00 -1.01 0.00 0.00 55.97 53.12 1jr5 s LYS 3 Cb 0.33 -0.66 0.03 0.00 -1.01 0.00 0.00 37.83 36.52 1jr5 s LYS 3 CO -0.08 -0.24 1.75 -0.91 0.51 0.00 0.00 175.35 176.38 1jr5 h ASN 4 N 2.17 0.60 -1.74 2.83 4.21 -1.97 -2.52 115.58 119.16 1jr5 h ASN 4 Ca -0.40 -0.10 0.51 0.00 1.21 0.00 0.00 56.30 57.52 1jr5 h ASN 4 Cb 1.25 -0.15 -0.08 0.00 -1.12 0.00 0.00 38.32 38.22 1jr5 h ASN 4 CO 0.66 0.53 1.24 -0.29 -1.29 0.00 0.00 177.43 178.28 1jr5 h ILE 5 N 0.62 0.10 0.00 2.81 2.10 -1.95 0.81 117.51 122.00 1jr5 h ILE 5 Ca 0.17 -0.00 -0.00 0.00 1.08 0.00 0.00 64.86 66.10 1jr5 h ILE 5 Cb 0.07 0.09 0.00 0.00 -1.09 0.00 0.00 36.82 35.90 1jr5 h ILE 5 CO -0.02 0.00 -0.00 0.44 -1.08 0.00 0.00 178.15 177.49 1jr5 h ASP 6 N 0.01 -0.00 0.60 2.19 3.32 -1.87 -0.38 116.42 120.29 1jr5 h ASP 6 Ca 0.85 -0.61 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1jr5 h ASP 6 Cb 3.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 42.88 1jr5 h ASP 6 CO -0.06 0.81 0.00 0.74 -1.72 0.00 0.00 179.24 179.01 1jr5 h THR 7 N -1.00 0.00 0.00 0.35 2.02 -1.03 -0.99 112.91 112.26 1jr5 h THR 7 Ca -0.00 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.92 1jr5 h THR 7 Cb 0.61 1.08 0.00 0.00 -1.74 0.00 0.00 68.15 68.11 1jr5 h THR 7 CO 0.00 0.00 -0.03 0.58 0.37 0.00 0.00 175.52 176.44 1jr5 h VAL 8 N 0.00 0.00 -1.12 3.16 2.07 0.49 -1.61 116.25 119.24 1jr5 h VAL 8 Ca 0.00 -0.69 0.31 0.00 0.82 0.00 0.00 66.70 67.15 1jr5 h VAL 8 Cb 0.30 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.00 1jr5 h VAL 8 CO 0.00 0.00 0.76 0.08 0.02 0.00 0.00 177.57 178.43 1jr5 h ARG 9 N -0.69 0.18 0.24 1.57 -0.00 -0.93 -0.46 114.38 114.29 1jr5 h ARG 9 Ca 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 59.98 59.96 1jr5 h ARG 9 Cb 0.03 -0.04 0.00 0.00 -0.00 0.00 0.00 29.97 29.96 1jr5 h ARG 9 CO 0.00 0.12 -0.11 1.05 -0.00 0.00 0.00 179.97 181.03 1jr5 h GLU 10 N 0.19 -0.31 -0.64 0.08 4.11 -1.28 -1.84 114.58 114.90 1jr5 h GLU 10 Ca 0.59 0.02 0.12 0.00 0.07 0.00 0.00 59.36 60.16 1jr5 h GLU 10 Cb 1.93 0.07 -0.12 0.00 0.50 0.00 0.00 28.75 31.12 1jr5 h GLU 10 CO -0.17 -0.04 -0.27 0.82 0.07 0.00 0.00 179.01 179.42 1jr5 h ILE 11 N -1.02 0.22 0.73 -1.06 2.04 -0.17 0.21 117.51 118.45 1jr5 h ILE 11 Ca -0.03 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.79 1jr5 h ILE 11 Cb 0.40 0.22 -0.00 0.00 -0.74 0.00 0.00 36.82 36.70 1jr5 h ILE 11 CO 0.05 0.00 -0.42 0.16 0.00 0.00 0.00 178.15 177.94 1jr5 h ILE 12 N -0.10 0.00 -0.13 -0.67 3.07 -1.24 -1.48 117.51 116.96 1jr5 h ILE 12 Ca 0.27 0.00 0.03 0.00 1.55 0.00 0.00 64.86 66.71 1jr5 h ILE 12 Cb 0.54 0.00 -0.06 0.00 -0.27 0.00 0.00 36.82 37.03 1jr5 h ILE 12 CO -0.70 0.00 -0.49 0.74 -1.05 0.00 0.00 178.15 176.65 1jr5 h THR 13 N -1.07 0.00 0.13 0.16 2.02 -0.65 -0.36 112.91 113.14 1jr5 h THR 13 Ca -0.10 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.08 1jr5 h THR 13 Cb 0.85 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 1jr5 h THR 13 CO 0.11 0.00 -0.27 -0.37 0.37 0.00 0.00 175.52 175.36 1jr5 h VAL 14 N -0.52 0.00 -1.25 3.16 -1.51 -0.63 0.44 116.25 115.94 1jr5 h VAL 14 Ca 0.03 0.00 0.36 0.00 -1.23 0.00 0.00 66.70 65.86 1jr5 h VAL 14 Cb 0.62 0.00 -0.07 0.00 -2.13 0.00 0.00 31.29 29.70 1jr5 h VAL 14 CO -0.40 0.00 0.87 0.00 -1.23 0.00 0.00 177.57 176.81 1jr5 h ALA 15 N -1.13 2.94 -0.27 5.19 0.00 -1.22 1.07 119.26 125.84 1jr5 h ALA 15 Ca -0.01 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.71 1jr5 h ALA 15 Cb 0.42 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1jr5 h ALA 15 CO -0.11 -1.35 -0.55 0.66 0.00 0.00 0.00 179.25 177.90 1jr5 h SER 16 N 0.11 0.92 -0.72 0.00 4.64 -0.01 -1.46 113.55 117.03 1jr5 h SER 16 Ca 0.64 -0.49 0.12 0.00 -0.47 0.00 0.00 61.79 61.59 1jr5 h SER 16 Cb 2.27 -0.26 -0.08 0.00 -0.31 0.00 0.00 62.40 64.02 1jr5 h SER 16 CO -0.13 1.28 0.30 0.40 -0.87 0.00 0.00 176.83 177.81 1jr5 h ILE 17 N 0.63 0.73 0.35 0.95 2.04 0.33 0.29 117.51 122.84 1jr5 h ILE 17 Ca 0.01 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 1jr5 h ILE 17 Cb 1.15 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 1jr5 h ILE 17 CO 0.12 0.09 -0.26 -0.07 0.00 0.00 0.00 178.15 178.03 1jr5 h LEU 18 N 0.48 -0.68 -1.76 1.44 3.38 -1.06 0.17 115.31 117.28 1jr5 h LEU 18 Ca 0.38 0.05 0.17 0.00 0.09 0.00 0.00 57.88 58.56 1jr5 h LEU 18 Cb 0.51 0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.43 1jr5 h LEU 18 CO -0.35 -0.40 0.48 -0.29 0.09 0.00 0.00 178.44 177.98 1jr5 h ILE 19 N -0.61 0.74 0.00 1.22 2.10 -0.06 1.08 117.51 121.99 1jr5 h ILE 19 Ca -0.03 -0.08 -0.18 0.00 1.08 0.00 0.00 64.86 65.65 1jr5 h ILE 19 Cb 0.53 0.49 -0.02 0.00 -1.09 0.00 0.00 36.82 36.73 1jr5 h ILE 19 CO 0.00 0.04 -0.85 0.50 -1.08 0.00 0.00 178.15 176.77 1jr5 h LYS 20 N 0.23 0.10 -0.76 2.19 3.11 0.45 -2.90 116.57 118.99 1jr5 h LYS 20 Ca 0.34 -0.11 0.00 0.00 -2.81 0.00 0.00 60.65 58.07 1jr5 h LYS 20 Cb 1.02 0.03 0.00 0.00 -1.00 0.00 0.00 32.23 32.28 1jr5 h LYS 20 CO -0.07 0.88 0.00 1.19 -2.81 0.00 0.00 179.45 178.64 1jr5 n PHE 21 N -3.61 0.98 -2.61 1.91 3.72 0.15 -4.85 117.46 113.14 1jr5 n PHE 21 Ca -0.02 -0.34 -0.14 0.00 -0.05 0.00 0.00 57.45 56.89 1jr5 n PHE 21 Cb 0.79 -0.28 0.02 0.00 -0.94 0.00 0.00 39.48 39.07 1jr5 n PHE 21 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1jr5 n SER 22 N 0.33 -4.39 -1.23 4.37 7.64 -0.52 -4.92 113.62 114.89 1jr5 n SER 22 Ca 0.13 -0.14 -0.04 0.00 1.01 0.00 0.00 58.87 59.84 1jr5 n SER 22 Cb 0.68 -3.35 0.21 0.00 -1.01 0.00 0.00 64.21 60.74 1jr5 n SER 22 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1jr5 n ARG 23 N -2.69 2.10 0.32 1.43 3.00 0.32 -4.64 116.66 116.50 1jr5 n ARG 23 Ca -0.10 -3.11 0.17 0.00 -0.01 0.00 0.00 57.85 54.81 1jr5 n ARG 23 Cb 0.59 -1.86 0.91 0.00 0.00 0.00 0.00 32.46 32.09 1jr5 n ARG 23 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 1jr5 h GLU 24 N 1.17 0.00 -0.42 5.56 4.81 -1.80 0.43 114.58 124.34 1jr5 h GLU 24 Ca 0.23 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.40 1jr5 h GLU 24 Cb 1.76 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 31.12 1jr5 h GLU 24 CO 0.44 0.00 0.03 0.22 -0.73 0.00 0.00 179.01 178.97 1jr5 h ASP 25 N 0.00 0.61 0.37 1.04 3.58 -1.94 0.61 116.42 120.69 1jr5 h ASP 25 Ca 0.01 -0.12 -0.29 0.00 0.42 0.00 0.00 57.03 57.05 1jr5 h ASP 25 Cb 0.53 -0.16 0.02 0.00 1.72 0.00 0.00 39.33 41.44 1jr5 h ASP 25 CO -0.00 0.67 -1.25 0.40 -2.88 0.00 0.00 179.24 176.17 1jr5 h ILE 26 N 0.62 1.38 0.00 2.25 2.04 -0.52 -3.15 117.51 120.12 1jr5 h ILE 26 Ca 0.13 -2.72 0.00 0.00 1.00 0.00 0.00 64.86 63.27 1jr5 h ILE 26 Cb 0.35 2.82 0.00 0.00 -0.74 0.00 0.00 36.82 39.25 1jr5 h ILE 26 CO 0.01 0.81 0.00 0.58 0.00 0.00 0.00 178.15 179.55 1jr5 h VAL 27 N 0.17 0.00 -0.01 1.67 2.07 -0.84 -3.05 116.25 116.27 1jr5 h VAL 27 Ca -0.17 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1jr5 h VAL 27 Cb 1.94 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 33.11 1jr5 h VAL 27 CO 0.22 0.00 -0.18 -0.62 0.02 0.00 0.00 177.57 177.01 1jr5 n GLU 28 N -2.80 1.09 -4.46 1.57 1.02 0.21 -4.68 120.64 112.59 1jr5 n GLU 28 Ca 0.02 -0.64 -0.21 0.00 -0.02 0.00 0.00 57.16 56.31 1jr5 n GLU 28 Cb 0.31 -1.49 -0.14 0.00 -0.02 0.00 0.00 31.44 30.11 1jr5 n GLU 28 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1jr5 s ASN 29 N -2.35 1.58 0.04 1.62 0.01 -1.16 -4.75 114.94 109.93 1jr5 s ASN 29 Ca 0.28 -0.35 -0.26 0.00 -0.71 0.00 0.00 52.86 51.82 1jr5 s ASN 29 Cb 0.20 -0.13 -0.14 0.00 0.41 0.00 0.00 41.25 41.58 1jr5 s ASN 29 CO 0.47 0.09 1.39 0.08 -1.51 0.00 0.00 177.10 177.62 1jr5 h ARG 30 N 5.36 -0.90 -1.07 -0.60 0.11 -1.86 -0.93 114.38 114.50 1jr5 h ARG 30 Ca -0.36 0.06 0.29 0.00 0.10 0.00 0.00 59.98 60.07 1jr5 h ARG 30 Cb 1.17 0.20 -0.11 0.00 1.11 0.00 0.00 29.97 32.35 1jr5 h ARG 30 CO 0.46 -0.60 0.67 0.00 0.10 0.00 0.00 179.97 180.60 1jr5 h ALA 31 N -1.57 2.20 0.10 0.08 0.00 -1.96 0.31 119.26 118.42 1jr5 h ALA 31 Ca -0.10 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1jr5 h ALA 31 Cb 0.72 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1jr5 h ALA 31 CO 0.16 -0.66 -0.05 -0.91 0.00 0.00 0.00 179.25 177.78 1jr5 h ASN 32 N 0.38 -0.12 0.11 0.00 2.35 -1.73 -0.61 115.58 115.96 1jr5 h ASN 32 Ca 0.64 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 56.30 1jr5 h ASN 32 Cb 1.61 0.03 -0.01 0.00 0.05 0.00 0.00 38.32 40.00 1jr5 h ASN 32 CO -0.37 0.02 -0.09 0.15 -1.65 0.00 0.00 177.43 175.49 1jr5 h PHE 33 N -0.25 -0.22 0.05 1.19 3.04 0.90 0.99 116.94 122.64 1jr5 h PHE 33 Ca -0.01 -0.00 0.02 0.00 3.98 0.00 0.00 57.97 61.96 1jr5 h PHE 33 Cb 0.20 0.08 -0.04 0.00 2.56 0.00 0.00 35.95 38.76 1jr5 h PHE 33 CO -0.04 -0.14 -0.24 0.82 -2.02 0.00 0.00 178.31 176.70 1jr5 h ILE 34 N -0.20 0.46 -0.51 1.41 5.03 -0.80 -0.52 117.51 122.38 1jr5 h ILE 34 Ca -0.00 0.00 0.04 0.00 -0.12 0.00 0.00 64.86 64.78 1jr5 h ILE 34 Cb 0.19 0.46 -0.04 0.00 -3.03 0.00 0.00 36.82 34.39 1jr5 h ILE 34 CO -0.01 0.00 0.26 0.00 -0.68 0.00 0.00 178.15 177.71 1jr5 h ALA 35 N 0.40 0.64 -0.40 1.87 0.00 -1.01 0.11 119.26 120.89 1jr5 h ALA 35 Ca 0.05 0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.06 1jr5 h ALA 35 Cb 0.46 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.09 1jr5 h ALA 35 CO -0.18 -0.09 -0.16 0.35 0.00 0.00 0.00 179.25 179.17 1jr5 h PHE 36 N 0.50 -0.38 -0.38 0.00 3.57 -0.28 0.49 116.94 120.46 1jr5 h PHE 36 Ca 0.22 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.73 1jr5 h PHE 36 Cb 0.13 0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 1jr5 h PHE 36 CO -0.10 -0.24 0.09 -0.07 -2.23 0.00 0.00 178.31 175.76 1jr5 h LEU 37 N -0.08 0.51 -0.30 0.59 3.38 -0.55 -1.48 115.31 117.39 1jr5 h LEU 37 Ca 0.20 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1jr5 h LEU 37 Cb 0.38 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1jr5 h LEU 37 CO -0.45 0.52 0.00 -1.13 0.09 0.00 0.00 178.44 177.46 1jr5 h ASN 38 N 0.55 0.00 0.01 -0.43 -1.24 0.13 0.10 115.58 114.71 1jr5 h ASN 38 Ca 0.13 0.00 -0.41 0.00 0.71 0.00 0.00 56.30 56.73 1jr5 h ASN 38 Cb 0.21 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 39.20 1jr5 h ASN 38 CO -0.00 0.00 -2.36 -1.84 -1.29 0.00 0.00 177.43 171.94 1jr5 n GLU 39 N -2.46 0.62 0.11 6.67 0.28 0.14 -4.49 120.64 121.51 1jr5 n GLU 39 Ca 0.04 0.25 -0.02 0.00 -0.16 0.00 0.00 57.16 57.27 1jr5 n GLU 39 Cb 0.39 -1.54 0.19 0.00 1.43 0.00 0.00 31.44 31.90 1jr5 n GLU 39 CO 0.00 0.00 0.00 -0.84 -0.16 0.00 0.00 177.13 176.13 1jr5 h ILE 40 N -0.53 1.36 0.00 3.84 -2.65 -1.45 -3.47 117.51 114.61 1jr5 h ILE 40 Ca -0.60 -1.78 0.00 0.00 1.03 0.00 0.00 64.86 63.50 1jr5 h ILE 40 Cb 1.73 1.90 0.00 0.00 -2.05 0.00 0.00 36.82 38.40 1jr5 h ILE 40 CO -0.24 0.52 0.00 0.61 0.03 0.00 0.00 178.15 179.08 1jr5 n GLY 41 N 0.03 1.02 3.72 0.16 0.00 -1.17 -5.13 105.19 103.83 1jr5 n GLY 41 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 1jr5 n GLY 41 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jr5 s VAL 42 N -2.00 4.47 0.32 1.61 1.01 0.01 -5.06 120.40 120.76 1jr5 s VAL 42 Ca 0.00 -0.35 -0.07 0.00 0.00 0.00 0.00 61.98 61.55 1jr5 s VAL 42 Cb 0.00 -2.96 0.01 0.00 0.00 0.00 0.00 36.38 33.42 1jr5 s VAL 42 CO 0.00 0.47 0.50 0.42 0.00 0.00 0.00 175.10 176.50 1jr5 s THR 43 N -1.04 0.00 -0.03 3.92 -4.23 -1.26 -4.04 115.64 108.96 1jr5 s THR 43 Ca 0.18 -1.48 0.04 0.00 -1.18 0.00 0.00 61.69 59.25 1jr5 s THR 43 Cb -0.12 -2.54 0.07 0.00 1.34 0.00 0.00 72.50 71.25 1jr5 s THR 43 CO 0.08 0.00 0.90 1.57 -0.54 0.00 0.00 174.62 176.62 1jr5 n HIS 44 N -0.50 0.00 0.00 3.99 -0.00 -1.00 -4.73 115.22 112.99 1jr5 n HIS 44 Ca -0.01 -0.35 0.00 0.00 0.46 0.00 0.00 57.72 57.82 1jr5 n HIS 44 Cb 0.62 -0.06 0.00 0.00 -0.12 0.00 0.00 29.99 30.43 1jr5 n HIS 44 CO 0.00 0.00 0.00 -0.85 0.46 0.00 0.00 176.34 175.95 1jr5 n GLU 45 N -0.45 0.00 -0.97 1.57 0.28 -1.26 -4.91 120.64 114.89 1jr5 n GLU 45 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.04 1jr5 n GLU 45 Cb 0.52 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.39 1jr5 n GLU 45 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1jr5 n GLY 46 N 0.00 0.39 3.14 -1.84 0.00 -1.26 -4.97 105.19 100.65 1jr5 n GLY 46 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1jr5 n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jr5 s ARG 47 N -0.61 0.33 0.00 1.61 1.81 -1.26 -5.04 118.95 115.79 1jr5 s ARG 47 Ca 0.00 0.27 0.00 0.00 -1.72 0.00 0.00 55.73 54.28 1jr5 s ARG 47 Cb 0.00 0.16 0.00 0.00 -0.45 0.00 0.00 34.95 34.66 1jr5 s ARG 47 CO 0.00 -0.05 0.00 0.36 -0.68 0.00 0.00 175.30 174.93 1jr5 n LYS 48 N 2.74 1.98 -4.30 3.54 0.00 -1.26 -2.36 118.16 118.51 1jr5 n LYS 48 Ca -0.14 0.00 -0.27 0.00 -0.00 0.00 0.00 58.31 57.90 1jr5 n LYS 48 Cb 0.58 0.00 -0.10 0.00 -0.00 0.00 0.00 35.03 35.51 1jr5 n LYS 48 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1jr5 s LEU 49 N 0.00 2.91 -0.27 -5.58 1.43 -1.26 -4.57 118.68 111.33 1jr5 s LEU 49 Ca 0.00 -0.58 0.11 0.00 -1.03 0.00 0.00 54.13 52.63 1jr5 s LEU 49 Cb 0.00 -1.62 0.53 0.00 0.03 0.00 0.00 46.19 45.13 1jr5 s LEU 49 CO 0.00 0.12 1.50 0.59 0.23 0.00 0.00 176.35 178.79 1jr5 n ASN 50 N 0.19 3.04 0.00 2.29 3.02 -1.26 -4.87 115.26 117.68 1jr5 n ASN 50 Ca -0.12 -3.53 0.00 0.00 -0.03 0.00 0.00 54.58 50.90 1jr5 n ASN 50 Cb 0.55 -0.63 0.00 0.00 -0.61 0.00 0.00 39.78 39.09 1jr5 n ASN 50 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jr5 n GLN 51 N -0.93 0.00 -0.04 3.52 6.02 -1.26 -4.76 117.38 119.93 1jr5 n GLN 51 Ca 0.32 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 57.24 1jr5 n GLN 51 Cb 1.06 -1.41 -0.03 0.00 1.02 0.00 0.00 30.24 30.88 1jr5 n GLN 51 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1jr5 n ASN 52 N 0.00 1.87 -0.36 1.08 5.15 -1.26 -4.70 115.26 117.04 1jr5 n ASN 52 Ca 0.00 0.03 0.33 0.00 -0.60 0.00 0.00 54.58 54.34 1jr5 n ASN 52 Cb 0.00 -0.18 0.59 0.00 -0.53 0.00 0.00 39.78 39.66 1jr5 n ASN 52 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1jr5 h SER 53 N -0.16 0.32 0.66 1.20 0.02 -1.95 -0.57 113.55 113.07 1jr5 h SER 53 Ca -0.19 0.22 -0.03 0.00 -0.84 0.00 0.00 61.79 60.95 1jr5 h SER 53 Cb 1.22 0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.98 1jr5 h SER 53 CO -0.08 -0.35 -0.34 0.15 -1.14 0.00 0.00 176.83 175.07 1jr5 h PHE 54 N 0.05 -0.90 -1.08 3.45 3.57 -1.98 0.37 116.94 120.42 1jr5 h PHE 54 Ca 0.84 -0.02 0.29 0.00 3.53 0.00 0.00 57.97 62.61 1jr5 h PHE 54 Cb 2.30 0.31 -0.09 0.00 2.79 0.00 0.00 35.95 41.26 1jr5 h PHE 54 CO -0.01 -0.54 0.71 0.00 -2.23 0.00 0.00 178.31 176.24 1jr5 h ARG 55 N -0.92 0.29 0.00 1.11 3.08 -1.40 0.90 114.38 117.45 1jr5 h ARG 55 Ca -0.09 -0.02 -0.18 0.00 0.07 0.00 0.00 59.98 59.76 1jr5 h ARG 55 Cb 0.71 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.67 1jr5 h ARG 55 CO 0.13 0.19 -0.86 0.87 -1.07 0.00 0.00 179.97 179.23 1jr5 h LYS 56 N 0.30 0.00 0.29 0.04 1.79 -1.18 -0.26 116.57 117.54 1jr5 h LYS 56 Ca 0.60 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 59.06 1jr5 h LYS 56 Cb 1.71 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.35 1jr5 h LYS 56 CO -0.25 0.86 -0.18 0.97 -1.08 0.00 0.00 179.45 179.77 1jr5 h ILE 57 N 0.00 0.61 -0.42 1.86 2.10 0.51 0.14 117.51 122.31 1jr5 h ILE 57 Ca -0.01 0.00 -0.08 0.00 1.08 0.00 0.00 64.86 65.85 1jr5 h ILE 57 Cb 1.61 0.61 -0.01 0.00 -1.09 0.00 0.00 36.82 37.94 1jr5 h ILE 57 CO 0.11 0.00 -0.05 -0.37 -1.08 0.00 0.00 178.15 176.76 1jr5 h VAL 58 N -0.46 1.27 -0.26 2.19 -1.51 -1.21 0.10 116.25 116.37 1jr5 h VAL 58 Ca -0.03 -1.12 0.08 0.00 -1.23 0.00 0.00 66.70 64.40 1jr5 h VAL 58 Cb 0.38 1.14 -0.01 0.00 -2.13 0.00 0.00 31.29 30.68 1jr5 h VAL 58 CO 0.02 0.38 0.26 -1.28 -1.23 0.00 0.00 177.57 175.72 1jr5 h SER 59 N 0.60 0.00 0.07 4.19 0.87 -0.68 0.25 113.55 118.86 1jr5 h SER 59 Ca 0.11 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 1jr5 h SER 59 Cb 0.56 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.52 1jr5 h SER 59 CO 0.03 0.00 -1.33 -0.62 -0.53 0.00 0.00 176.83 174.39 1jr5 n GLU 60 N -3.91 0.26 -3.33 2.24 1.02 0.46 -4.90 120.64 112.48 1jr5 n GLU 60 Ca 0.04 -0.07 -0.38 0.00 -0.02 0.00 0.00 57.16 56.73 1jr5 n GLU 60 Cb 0.40 -1.52 -0.06 0.00 -0.02 0.00 0.00 31.44 30.24 1jr5 n GLU 60 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1jr5 s LEU 61 N -3.64 4.46 0.51 -4.62 0.20 0.88 -5.07 118.68 111.39 1jr5 s LEU 61 Ca 0.02 1.09 0.01 0.00 0.69 0.00 0.00 54.13 55.94 1jr5 s LEU 61 Cb 0.15 -2.78 -0.01 0.00 -0.43 0.00 0.00 46.19 43.12 1jr5 s LEU 61 CO 0.87 0.22 0.02 0.28 -0.29 0.00 0.00 176.35 177.44 1jr5 s THR 62 N -0.67 0.99 -0.37 3.68 -1.32 -1.26 -4.81 115.64 111.87 1jr5 s THR 62 Ca 0.27 -2.00 0.14 0.00 -1.21 0.00 0.00 61.69 58.89 1jr5 s THR 62 Cb -0.18 -2.08 0.14 0.00 -1.51 0.00 0.00 72.50 68.87 1jr5 s THR 62 CO 0.16 0.00 1.40 0.00 -2.21 0.00 0.00 174.62 173.97 1jr5 n GLN 63 N -1.26 0.09 0.01 7.08 10.64 -1.26 -1.94 117.38 130.74 1jr5 n GLN 63 Ca -0.19 0.57 -0.21 0.00 -1.83 0.00 0.00 57.00 55.34 1jr5 n GLN 63 Cb 0.67 -1.86 -0.14 0.00 -0.86 0.00 0.00 30.24 28.05 1jr5 n GLN 63 CO 0.00 0.00 0.00 1.49 -1.83 0.00 0.00 177.06 176.72 1jr5 h GLU 64 N 0.00 0.24 -0.57 2.61 4.81 -1.98 -1.09 114.58 118.59 1jr5 h GLU 64 Ca 0.00 -0.41 0.00 0.00 -0.13 0.00 0.00 59.36 58.83 1jr5 h GLU 64 Cb 0.12 0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.62 1jr5 h GLU 64 CO 0.00 1.19 0.37 0.22 -0.73 0.00 0.00 179.01 180.06 1jr5 h ASP 65 N -0.36 0.66 0.67 1.04 1.82 -1.78 0.49 116.42 118.96 1jr5 h ASP 65 Ca -0.27 -0.02 -0.03 0.00 -0.39 0.00 0.00 57.03 56.32 1jr5 h ASP 65 Cb 1.70 -0.17 0.01 0.00 0.68 0.00 0.00 39.33 41.55 1jr5 h ASP 65 CO 0.06 0.49 -0.32 0.50 -1.61 0.00 0.00 179.24 178.36 1jr5 h LYS 66 N 0.77 -0.86 -0.98 0.28 3.64 -1.51 -1.10 116.57 116.81 1jr5 h LYS 66 Ca 0.21 0.06 0.18 0.00 -1.27 0.00 0.00 60.65 59.83 1jr5 h LYS 66 Cb -0.07 0.20 -0.18 0.00 -0.41 0.00 0.00 32.23 31.77 1jr5 h LYS 66 CO -0.04 -0.58 -0.29 -0.22 -2.27 0.00 0.00 179.45 176.05 1jr5 h LYS 67 N -0.91 -0.00 -0.49 1.90 1.63 -0.42 1.10 116.57 119.37 1jr5 h LYS 67 Ca -0.09 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.71 1jr5 h LYS 67 Cb 0.69 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.29 1jr5 h LYS 67 CO 0.15 -0.00 0.30 1.15 -3.45 0.00 0.00 179.45 177.60 1jr5 h THR 68 N -0.00 1.14 0.00 1.00 2.02 -0.80 0.17 112.91 116.43 1jr5 h THR 68 Ca 0.43 -0.30 -0.03 0.00 0.77 0.00 0.00 66.41 67.28 1jr5 h THR 68 Cb 0.67 0.44 -0.00 0.00 -1.74 0.00 0.00 68.15 67.52 1jr5 h THR 68 CO -1.00 0.14 -0.14 0.25 0.37 0.00 0.00 175.52 175.14 1jr5 h LEU 69 N 0.68 0.00 -0.17 2.58 7.12 0.23 -3.03 115.31 122.71 1jr5 h LEU 69 Ca 0.18 0.00 -0.18 0.00 0.13 0.00 0.00 57.88 58.01 1jr5 h LEU 69 Cb -0.04 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 40.07 1jr5 h LEU 69 CO -0.03 0.14 -0.86 0.40 -0.13 0.00 0.00 178.44 177.96 1jr5 h ILE 70 N 0.00 1.56 -1.17 4.05 2.04 0.26 0.12 117.51 124.37 1jr5 h ILE 70 Ca -0.00 -3.01 0.33 0.00 1.00 0.00 0.00 64.86 63.18 1jr5 h ILE 70 Cb 1.03 2.65 -0.09 0.00 -0.74 0.00 0.00 36.82 39.67 1jr5 h ILE 70 CO 0.02 0.84 0.79 -0.78 0.00 0.00 0.00 178.15 179.02 1jr5 h ASP 71 N 0.00 0.26 0.00 1.72 1.82 -0.71 0.84 116.42 120.35 1jr5 h ASP 71 Ca -0.01 0.06 -0.23 0.00 -0.39 0.00 0.00 57.03 56.47 1jr5 h ASP 71 Cb 1.58 0.03 -0.04 0.00 0.68 0.00 0.00 39.33 41.58 1jr5 h ASP 71 CO 0.11 0.01 -1.87 -0.62 -1.61 0.00 0.00 179.24 175.26 1jr5 n GLU 72 N -4.48 1.24 -1.81 0.28 1.02 -1.22 -4.57 120.64 111.10 1jr5 n GLU 72 Ca 0.28 0.04 -0.38 0.00 -0.02 0.00 0.00 57.16 57.08 1jr5 n GLU 72 Cb 1.13 -1.32 0.05 0.00 -0.02 0.00 0.00 31.44 31.28 1jr5 n GLU 72 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1jr5 n PHE 73 N -2.69 3.05 0.00 -0.32 3.01 0.03 -4.91 117.46 115.63 1jr5 n PHE 73 Ca -0.24 -2.51 0.00 0.00 1.01 0.00 0.00 57.45 55.71 1jr5 n PHE 73 Cb 0.85 -1.20 0.00 0.00 -0.01 0.00 0.00 39.48 39.13 1jr5 n PHE 73 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1jr5 n ASN 74 N -0.63 0.00 -1.57 4.37 3.02 0.28 -3.86 115.26 116.88 1jr5 n ASN 74 Ca 0.55 0.00 0.09 0.00 -0.03 0.00 0.00 54.58 55.19 1jr5 n ASN 74 Cb 0.35 0.00 0.36 0.00 -0.61 0.00 0.00 39.78 39.88 1jr5 n ASN 74 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1jr5 n GLU 75 N 0.00 3.91 -0.62 3.52 0.28 -1.26 -4.33 120.64 122.14 1jr5 n GLU 75 Ca 0.00 -2.92 0.08 0.00 -0.16 0.00 0.00 57.16 54.16 1jr5 n GLU 75 Cb 0.00 -1.95 0.33 0.00 1.43 0.00 0.00 31.44 31.26 1jr5 n GLU 75 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1jr5 n GLY 76 N 0.88 3.09 0.00 -1.84 0.00 -1.25 -4.39 105.19 101.69 1jr5 n GLY 76 Ca 0.25 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1jr5 n GLY 76 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1jr5 n PHE 77 N 0.60 0.00 0.54 1.61 -1.74 -1.25 -4.83 117.46 112.38 1jr5 n PHE 77 Ca 0.24 -0.00 0.06 0.00 -0.56 0.00 0.00 57.45 57.19 1jr5 n PHE 77 Cb 0.93 -0.00 0.31 0.00 1.52 0.00 0.00 39.48 42.24 1jr5 n PHE 77 CO 0.00 0.00 0.00 -1.91 -0.56 0.00 0.00 176.76 174.29 1jr5 n GLU 78 N -0.00 0.10 -0.09 3.97 4.07 -1.26 -1.68 120.64 125.75 1jr5 n GLU 78 Ca 0.00 0.22 0.04 0.00 -0.06 0.00 0.00 57.16 57.35 1jr5 n GLU 78 Cb 0.36 -1.50 0.05 0.00 -0.06 0.00 0.00 31.44 30.30 1jr5 n GLU 78 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1jr5 n GLY 79 N -0.17 2.53 0.33 8.31 0.00 -1.26 -4.38 105.19 110.55 1jr5 n GLY 79 Ca 0.05 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1jr5 n GLY 79 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1jr5 n VAL 80 N -0.71 0.00 0.12 1.61 3.14 -0.97 -3.98 118.33 117.54 1jr5 n VAL 80 Ca 0.06 0.00 -0.03 0.00 -2.96 0.00 0.00 64.34 61.41 1jr5 n VAL 80 Cb 0.49 -0.72 0.11 0.00 -1.06 0.00 0.00 33.84 32.66 1jr5 n VAL 80 CO 0.00 0.00 0.00 0.22 -6.46 0.00 0.00 176.83 170.59 1jr5 h TYR 81 N 0.00 0.02 0.04 1.45 3.20 -1.61 -1.51 116.97 118.55 1jr5 h TYR 81 Ca 0.00 -0.01 -0.26 0.00 3.14 0.00 0.00 58.73 61.60 1jr5 h TYR 81 Cb 0.88 -0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.12 1jr5 h TYR 81 CO 0.00 0.71 -1.33 0.00 -1.64 0.00 0.00 178.16 175.90 1jr5 h ARG 82 N 0.01 0.08 0.10 1.82 2.47 -1.76 -3.34 114.38 113.75 1jr5 h ARG 82 Ca -0.01 -0.14 -0.00 0.00 -1.26 0.00 0.00 59.98 58.57 1jr5 h ARG 82 Cb 1.24 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 29.61 1jr5 h ARG 82 CO 0.09 0.91 -0.05 1.88 0.56 0.00 0.00 179.97 183.37 1jr5 h TYR 83 N 0.02 -0.12 -0.60 3.04 -1.99 -1.65 -2.66 116.97 113.01 1jr5 h TYR 83 Ca -0.15 -0.00 0.17 0.00 2.00 0.00 0.00 58.73 60.75 1jr5 h TYR 83 Cb 1.91 0.04 -0.02 0.00 2.00 0.00 0.00 36.73 40.65 1jr5 h TYR 83 CO 0.02 0.10 0.52 1.37 -0.00 0.00 0.00 178.16 180.17 1jr5 h LEU 84 N -0.33 0.00 0.01 3.88 8.10 -1.42 -0.96 115.31 124.59 1jr5 h LEU 84 Ca -0.01 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.98 1jr5 h LEU 84 Cb 0.28 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.50 1jr5 h LEU 84 CO 0.02 0.00 -0.01 -0.08 -4.11 0.00 0.00 178.44 174.26 1jr5 h GLU 85 N 0.00 -0.02 -0.21 0.17 4.81 -1.59 0.89 114.58 118.63 1jr5 h GLU 85 Ca 0.28 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.53 1jr5 h GLU 85 Cb 1.31 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.69 1jr5 h GLU 85 CO -0.00 0.70 0.14 0.52 -0.73 0.00 0.00 179.01 179.64 1jr5 h MET 86 N -0.78 0.22 0.03 1.92 2.86 -0.96 0.89 114.93 119.11 1jr5 h MET 86 Ca -0.00 -0.01 -0.30 0.00 -2.06 0.00 0.00 59.70 57.32 1jr5 h MET 86 Cb 0.73 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.30 1jr5 h MET 86 CO 0.00 0.15 -1.70 1.88 1.06 0.00 0.00 176.91 178.30 1jr5 h TYR 87 N 0.23 0.12 -2.03 -0.22 0.05 -1.26 -3.42 116.97 110.44 1jr5 h TYR 87 Ca 0.08 -0.09 -0.44 0.00 0.05 0.00 0.00 58.73 58.34 1jr5 h TYR 87 Cb 0.06 -0.00 -0.32 0.00 1.01 0.00 0.00 36.73 37.47 1jr5 h TYR 87 CO -0.00 1.17 -0.78 0.95 -1.05 0.00 0.00 178.16 178.45 1jr5 s THR 88 N -2.60 -0.14 0.26 -2.88 -4.23 0.31 -4.15 115.64 102.20 1jr5 s THR 88 Ca -0.08 -1.65 -0.20 0.00 -1.18 0.00 0.00 61.69 58.59 1jr5 s THR 88 Cb 0.08 -0.82 -0.09 0.00 1.34 0.00 0.00 72.50 73.01 1jr5 s THR 88 CO 0.82 -0.77 0.76 0.54 -0.54 0.00 0.00 174.62 175.43 1jr5 s ASN 89 N 0.83 7.04 0.00 3.99 4.22 0.30 -3.84 114.94 127.48 1jr5 s ASN 89 Ca 0.24 1.46 0.19 0.00 -2.14 0.00 0.00 52.86 52.62 1jr5 s ASN 89 Cb -0.08 -2.44 0.15 0.00 1.28 0.00 0.00 41.25 40.17 1jr5 s ASN 89 CO -0.08 -0.03 1.11 2.29 -2.04 0.00 0.00 177.10 178.35