#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 0.00 -4.81 7.83 4.13 -1.26 -5.12 115.26 116.03 1jr5 n ASN 2 Ca 0.00 0.00 -0.30 0.00 1.68 0.00 0.00 54.58 55.96 1jr5 n ASN 2 Cb 0.00 0.02 0.10 0.00 -1.54 0.00 0.00 39.78 38.36 1jr5 n ASN 2 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1jr5 s LYS 3 N -1.12 1.97 0.35 3.52 2.20 -1.26 -4.94 119.74 120.46 1jr5 s LYS 3 Ca 0.00 0.54 0.05 0.00 -0.36 0.00 0.00 55.97 56.21 1jr5 s LYS 3 Cb 0.00 -1.91 0.71 0.00 -1.51 0.00 0.00 37.83 35.12 1jr5 s LYS 3 CO 0.00 -1.68 1.94 -0.91 -0.36 0.00 0.00 175.35 174.34 1jr5 h ASN 4 N -1.13 0.71 -1.66 1.43 2.35 -1.91 -1.95 115.58 113.42 1jr5 h ASN 4 Ca -0.47 0.01 0.49 0.00 -0.55 0.00 0.00 56.30 55.78 1jr5 h ASN 4 Cb 1.28 -0.14 -0.08 0.00 0.05 0.00 0.00 38.32 39.43 1jr5 h ASN 4 CO 0.60 0.44 1.17 -0.29 -1.65 0.00 0.00 177.43 177.71 1jr5 h ILE 5 N 0.80 0.12 0.18 2.81 2.10 -1.92 0.67 117.51 122.28 1jr5 h ILE 5 Ca 0.35 -0.01 -0.01 0.00 1.08 0.00 0.00 64.86 66.27 1jr5 h ILE 5 Cb 0.32 0.10 0.00 0.00 -1.09 0.00 0.00 36.82 36.15 1jr5 h ILE 5 CO -0.13 0.00 -0.09 0.44 -1.08 0.00 0.00 178.15 177.30 1jr5 h ASP 6 N 0.02 -0.21 0.17 2.19 3.32 -1.72 0.27 116.42 120.47 1jr5 h ASP 6 Ca 0.83 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.89 1jr5 h ASP 6 Cb 3.18 0.05 0.00 0.00 0.22 0.00 0.00 39.33 42.78 1jr5 h ASP 6 CO -0.10 0.05 0.00 0.74 -1.72 0.00 0.00 179.24 178.21 1jr5 h THR 7 N -0.64 0.00 0.03 0.35 2.02 -1.44 -1.24 112.91 111.99 1jr5 h THR 7 Ca -0.02 -0.08 -0.00 0.00 0.77 0.00 0.00 66.41 67.07 1jr5 h THR 7 Cb 0.19 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 1jr5 h THR 7 CO 0.04 0.00 -0.01 0.58 0.37 0.00 0.00 175.52 176.50 1jr5 h VAL 8 N 0.00 0.00 -1.23 3.16 2.07 0.29 -0.87 116.25 119.67 1jr5 h VAL 8 Ca 0.00 -0.41 0.36 0.00 0.82 0.00 0.00 66.70 67.47 1jr5 h VAL 8 Cb 0.08 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.77 1jr5 h VAL 8 CO 0.00 0.00 0.83 0.08 0.02 0.00 0.00 177.57 178.50 1jr5 h ARG 9 N -0.45 0.16 0.26 1.57 -0.00 -0.25 0.28 114.38 115.95 1jr5 h ARG 9 Ca -0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 59.98 59.95 1jr5 h ARG 9 Cb 0.03 -0.04 0.00 0.00 -0.00 0.00 0.00 29.97 29.97 1jr5 h ARG 9 CO 0.01 0.10 -0.13 1.05 -0.00 0.00 0.00 179.97 181.01 1jr5 h GLU 10 N 0.16 -0.34 -0.64 0.08 4.11 -1.32 -1.92 114.58 114.71 1jr5 h GLU 10 Ca 0.67 0.02 0.13 0.00 0.07 0.00 0.00 59.36 60.25 1jr5 h GLU 10 Cb 2.19 0.08 -0.11 0.00 0.50 0.00 0.00 28.75 31.40 1jr5 h GLU 10 CO -0.21 -0.10 -0.03 0.82 0.07 0.00 0.00 179.01 179.56 1jr5 h ILE 11 N -1.04 0.45 0.64 -1.06 2.04 0.50 0.45 117.51 119.49 1jr5 h ILE 11 Ca -0.04 -0.03 -0.03 0.00 1.00 0.00 0.00 64.86 65.76 1jr5 h ILE 11 Cb 0.39 0.35 0.01 0.00 -0.74 0.00 0.00 36.82 36.82 1jr5 h ILE 11 CO 0.06 0.02 -0.31 0.16 0.00 0.00 0.00 178.15 178.08 1jr5 h ILE 12 N 0.09 0.00 -0.34 -0.67 3.07 -0.64 -1.42 117.51 117.61 1jr5 h ILE 12 Ca 0.33 -0.04 0.06 0.00 1.55 0.00 0.00 64.86 66.77 1jr5 h ILE 12 Cb 0.54 0.00 -0.08 0.00 -0.27 0.00 0.00 36.82 37.01 1jr5 h ILE 12 CO -0.57 0.00 -0.45 0.74 -1.05 0.00 0.00 178.15 176.82 1jr5 h THR 13 N -0.90 0.09 0.29 0.16 2.02 -0.98 0.37 112.91 113.96 1jr5 h THR 13 Ca -0.09 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.09 1jr5 h THR 13 Cb 0.66 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 1jr5 h THR 13 CO 0.14 0.00 -0.38 -0.37 0.37 0.00 0.00 175.52 175.28 1jr5 h VAL 14 N -0.38 0.00 -0.86 3.16 -1.51 -0.96 0.89 116.25 116.59 1jr5 h VAL 14 Ca 0.11 0.00 0.25 0.00 -1.23 0.00 0.00 66.70 65.83 1jr5 h VAL 14 Cb 0.60 0.00 -0.03 0.00 -2.13 0.00 0.00 31.29 29.73 1jr5 h VAL 14 CO -0.54 0.00 0.67 0.00 -1.23 0.00 0.00 177.57 176.47 1jr5 h ALA 15 N -1.03 2.75 -0.10 5.19 0.00 -1.07 0.85 119.26 125.86 1jr5 h ALA 15 Ca -0.03 -0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.64 1jr5 h ALA 15 Cb 0.62 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1jr5 h ALA 15 CO -0.10 -1.11 -0.78 0.66 0.00 0.00 0.00 179.25 177.92 1jr5 h SER 16 N 0.00 0.71 -0.81 0.00 4.64 0.19 -1.25 113.55 117.03 1jr5 h SER 16 Ca 0.41 -0.47 0.05 0.00 -0.47 0.00 0.00 61.79 61.30 1jr5 h SER 16 Cb 1.74 -0.21 -0.06 0.00 -0.31 0.00 0.00 62.40 63.57 1jr5 h SER 16 CO -0.00 1.25 0.50 0.40 -0.87 0.00 0.00 176.83 178.10 1jr5 h ILE 17 N 0.40 1.06 0.11 0.95 2.04 0.31 0.50 117.51 122.87 1jr5 h ILE 17 Ca -0.05 -0.32 0.02 0.00 1.00 0.00 0.00 64.86 65.51 1jr5 h ILE 17 Cb 1.38 0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 1jr5 h ILE 17 CO 0.15 0.17 -0.24 -0.07 0.00 0.00 0.00 178.15 178.16 1jr5 h LEU 18 N 0.94 -0.67 -1.60 1.44 3.38 -0.99 0.13 115.31 117.93 1jr5 h LEU 18 Ca 0.34 0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.42 1jr5 h LEU 18 Cb 0.12 0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1jr5 h LEU 18 CO -0.15 -0.32 0.31 -0.29 0.09 0.00 0.00 178.44 178.07 1jr5 h ILE 19 N -0.43 1.05 -0.07 1.22 2.10 -0.06 0.91 117.51 122.23 1jr5 h ILE 19 Ca 0.03 -0.18 -0.12 0.00 1.08 0.00 0.00 64.86 65.67 1jr5 h ILE 19 Cb 0.46 0.48 -0.01 0.00 -1.09 0.00 0.00 36.82 36.66 1jr5 h ILE 19 CO -0.14 0.10 -0.49 0.50 -1.08 0.00 0.00 178.15 177.04 1jr5 h LYS 20 N 0.53 0.17 -0.90 2.19 3.11 0.11 -2.46 116.57 119.32 1jr5 h LYS 20 Ca 0.19 -0.10 -0.17 0.00 -2.81 0.00 0.00 60.65 57.76 1jr5 h LYS 20 Cb 0.09 0.01 -0.10 0.00 -1.00 0.00 0.00 32.23 31.22 1jr5 h LYS 20 CO -0.05 0.63 0.22 1.19 -2.81 0.00 0.00 179.45 178.63 1jr5 n PHE 21 N -3.96 1.51 -3.04 1.91 3.72 0.34 -4.84 117.46 113.10 1jr5 n PHE 21 Ca -0.02 -0.92 -0.23 0.00 -0.05 0.00 0.00 57.45 56.24 1jr5 n PHE 21 Cb 0.53 -0.52 0.04 0.00 -0.94 0.00 0.00 39.48 38.58 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 -0.11 -6.16 -1.43 4.37 7.64 -0.93 -4.89 113.62 112.11 1jr5 n SER 22 Ca 0.26 -0.30 -0.09 0.00 1.01 0.00 0.00 58.87 59.75 1jr5 n SER 22 Cb 1.01 -4.97 0.20 0.00 -1.01 0.00 0.00 64.21 59.43 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 -4.08 1.94 0.32 1.43 5.12 0.30 -4.64 116.66 117.06 1jr5 n ARG 23 Ca -0.11 -3.15 0.17 0.00 -1.93 0.00 0.00 57.85 52.83 1jr5 n ARG 23 Cb 0.62 -1.91 0.90 0.00 -1.16 0.00 0.00 32.46 30.91 1jr5 n ARG 23 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 1jr5 h GLU 24 N 1.01 0.00 -0.50 5.56 5.08 -1.79 0.44 114.58 124.38 1jr5 h GLU 24 Ca 0.33 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.63 1jr5 h GLU 24 Cb 1.96 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.19 1jr5 h GLU 24 CO 0.57 0.00 0.08 0.22 -1.00 0.00 0.00 179.01 178.88 1jr5 h ASP 25 N 0.00 0.73 0.32 1.42 1.82 -1.94 0.60 116.42 119.38 1jr5 h ASP 25 Ca 0.01 -0.14 -0.31 0.00 -0.39 0.00 0.00 57.03 56.20 1jr5 h ASP 25 Cb 0.54 -0.19 0.03 0.00 0.68 0.00 0.00 39.33 40.38 1jr5 h ASP 25 CO -0.00 0.75 -1.34 0.40 -1.61 0.00 0.00 179.24 177.44 1jr5 h ILE 26 N 0.75 1.34 0.00 2.25 2.04 -0.53 -3.18 117.51 120.17 1jr5 h ILE 26 Ca 0.16 -2.72 0.00 0.00 1.00 0.00 0.00 64.86 63.30 1jr5 h ILE 26 Cb 0.33 2.90 0.00 0.00 -0.74 0.00 0.00 36.82 39.32 1jr5 h ILE 26 CO 0.00 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 -0.13 1.67 2.07 -0.96 -2.95 116.25 116.12 1jr5 h VAL 27 Ca -0.20 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 66.83 1jr5 h VAL 27 Cb 2.03 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 33.23 1jr5 h VAL 27 CO 0.25 0.00 0.00 -0.62 0.02 0.00 0.00 177.57 177.22 1jr5 n GLU 28 N -2.85 1.77 -4.54 1.57 1.02 0.21 -4.78 120.64 113.04 1jr5 n GLU 28 Ca 0.01 -1.14 -0.21 0.00 -0.02 0.00 0.00 57.16 55.80 1jr5 n GLU 28 Cb 0.31 -1.43 -0.15 0.00 -0.02 0.00 0.00 31.44 30.15 1jr5 n GLU 28 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1jr5 s ASN 29 N -1.71 1.46 0.08 1.62 2.47 -1.14 -4.81 114.94 112.91 1jr5 s ASN 29 Ca 0.34 -0.23 -0.24 0.00 0.42 0.00 0.00 52.86 53.15 1jr5 s ASN 29 Cb 0.19 -0.25 -0.16 0.00 -1.45 0.00 0.00 41.25 39.58 1jr5 s ASN 29 CO 0.29 0.13 1.69 0.08 -3.72 0.00 0.00 177.10 175.57 1jr5 h ARG 30 N 6.03 -0.10 -0.67 0.43 0.11 -1.86 0.22 114.38 118.54 1jr5 h ARG 30 Ca -0.33 0.01 -0.02 0.00 0.10 0.00 0.00 59.98 59.74 1jr5 h ARG 30 Cb 1.17 0.02 -0.03 0.00 1.11 0.00 0.00 29.97 32.24 1jr5 h ARG 30 CO 0.49 -0.03 0.33 0.00 0.10 0.00 0.00 179.97 180.86 1jr5 h ALA 31 N 0.79 1.33 0.40 0.08 0.00 -1.96 0.28 119.26 120.17 1jr5 h ALA 31 Ca -0.01 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1jr5 h ALA 31 Cb 0.11 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1jr5 h ALA 31 CO 0.02 0.53 -0.19 -0.91 0.00 0.00 0.00 179.25 178.70 1jr5 h ASN 32 N 0.94 -0.46 -0.00 0.00 2.35 -1.69 0.99 115.58 117.72 1jr5 h ASN 32 Ca 0.23 0.01 0.02 0.00 -0.55 0.00 0.00 56.30 56.01 1jr5 h ASN 32 Cb 0.08 0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.54 1jr5 h ASN 32 CO -0.03 -0.31 -0.09 0.15 -1.65 0.00 0.00 177.43 175.49 1jr5 h PHE 33 N -0.55 -0.23 0.06 1.19 3.57 -0.66 0.43 116.94 120.74 1jr5 h PHE 33 Ca -0.06 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.47 1jr5 h PHE 33 Cb 0.42 0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.24 1jr5 h PHE 33 CO -0.04 -0.14 -0.18 0.82 -2.23 0.00 0.00 178.31 176.54 1jr5 h ILE 34 N -0.15 0.58 -0.66 1.41 2.04 -0.85 -0.24 117.51 119.63 1jr5 h ILE 34 Ca 0.04 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.90 1jr5 h ILE 34 Cb 0.20 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 1jr5 h ILE 34 CO -0.09 0.00 0.44 0.00 0.00 0.00 0.00 178.15 178.49 1jr5 h ALA 35 N 0.55 0.84 -0.91 1.87 0.00 -0.63 -0.28 119.26 120.70 1jr5 h ALA 35 Ca 0.04 -0.04 0.17 0.00 0.00 0.00 0.00 54.91 55.07 1jr5 h ALA 35 Cb 0.36 -0.27 -0.10 0.00 0.00 0.00 0.00 17.79 17.78 1jr5 h ALA 35 CO -0.13 0.26 0.49 0.35 0.00 0.00 0.00 179.25 180.23 1jr5 h PHE 36 N 0.89 0.86 -0.50 0.00 3.57 0.41 0.53 116.94 122.70 1jr5 h PHE 36 Ca 0.24 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.65 1jr5 h PHE 36 Cb -0.10 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.38 1jr5 h PHE 36 CO -0.03 0.18 -0.18 -0.07 -2.23 0.00 0.00 178.31 175.98 1jr5 h LEU 37 N 0.65 1.02 -0.32 0.59 3.38 -0.05 -1.74 115.31 118.84 1jr5 h LEU 37 Ca 0.51 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1jr5 h LEU 37 Cb 0.77 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1jr5 h LEU 37 CO -0.38 1.17 0.00 -3.20 0.09 0.00 0.00 178.44 176.12 1jr5 n ASN 38 N -4.12 0.47 -0.12 -0.43 5.15 0.12 -1.23 115.26 115.11 1jr5 n ASN 38 Ca 0.01 0.59 -0.23 0.00 -0.60 0.00 0.00 54.58 54.35 1jr5 n ASN 38 Cb 0.44 -0.70 -0.10 0.00 -0.53 0.00 0.00 39.78 38.89 1jr5 n ASN 38 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 1jr5 n GLU 39 N -2.00 0.56 0.11 1.20 0.28 0.14 -4.54 120.64 116.40 1jr5 n GLU 39 Ca 0.04 0.19 -0.01 0.00 -0.16 0.00 0.00 57.16 57.22 1jr5 n GLU 39 Cb 0.27 -1.43 0.25 0.00 1.43 0.00 0.00 31.44 31.96 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 -0.51 1.30 0.00 3.84 -2.65 -1.44 -3.47 117.51 114.59 1jr5 h ILE 40 Ca -0.60 -1.47 0.00 0.00 1.03 0.00 0.00 64.86 63.82 1jr5 h ILE 40 Cb 1.68 1.69 0.00 0.00 -2.05 0.00 0.00 36.82 38.14 1jr5 h ILE 40 CO -0.26 0.44 0.00 0.61 0.03 0.00 0.00 178.15 178.97 1jr5 n GLY 41 N -0.25 0.99 3.77 0.16 0.00 -1.15 -5.12 105.19 103.58 1jr5 n GLY 41 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.55 4.94 0.20 1.61 1.01 -0.36 -5.07 120.40 121.18 1jr5 s VAL 42 Ca 0.00 -0.00 -0.11 0.00 0.00 0.00 0.00 61.98 61.86 1jr5 s VAL 42 Cb 0.00 -3.14 -0.00 0.00 0.00 0.00 0.00 36.38 33.24 1jr5 s VAL 42 CO 0.00 0.59 0.39 0.42 0.00 0.00 0.00 175.10 176.50 1jr5 s THR 43 N -0.78 0.03 -0.02 3.92 -4.23 -1.26 -3.73 115.64 109.57 1jr5 s THR 43 Ca 0.13 -1.33 0.03 0.00 -1.18 0.00 0.00 61.69 59.34 1jr5 s THR 43 Cb -0.12 -1.97 0.04 0.00 1.34 0.00 0.00 72.50 71.80 1jr5 s THR 43 CO 0.03 -0.14 0.84 1.57 -0.54 0.00 0.00 174.62 176.37 1jr5 n HIS 44 N -0.30 0.00 0.00 3.99 -0.00 -0.90 -4.86 115.22 113.14 1jr5 n HIS 44 Ca -0.05 -0.29 0.00 0.00 0.46 0.00 0.00 57.72 57.84 1jr5 n HIS 44 Cb 0.63 -0.05 0.00 0.00 -0.12 0.00 0.00 29.99 30.45 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 -0.36 0.00 -0.97 1.57 0.28 -1.26 -4.91 120.64 114.99 1jr5 n GLU 45 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.02 1jr5 n GLU 45 Cb 0.49 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.36 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 0.50 3.21 -1.84 0.00 -1.26 -4.98 105.19 100.83 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 1.09 0.00 0.00 0.00 173.32 174.41 1jr5 s ARG 47 N -0.39 0.41 0.00 1.61 1.70 -1.26 -5.07 118.95 115.95 1jr5 s ARG 47 Ca 0.00 0.36 0.00 0.00 -0.47 0.00 0.00 55.73 55.62 1jr5 s ARG 47 Cb 0.00 0.20 0.00 0.00 -0.57 0.00 0.00 34.95 34.58 1jr5 s ARG 47 CO 0.00 -0.06 0.00 0.36 -1.08 0.00 0.00 175.30 174.52 1jr5 n LYS 48 N 2.68 3.16 -4.87 3.89 -0.00 -1.24 -2.12 118.16 119.66 1jr5 n LYS 48 Ca -0.14 0.00 -0.26 0.00 -0.00 0.00 0.00 58.31 57.91 1jr5 n LYS 48 Cb 0.57 0.00 -0.16 0.00 -0.00 0.00 0.00 35.03 35.45 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 1.95 -0.36 -5.58 1.43 -1.26 -4.53 118.68 110.32 1jr5 s LEU 49 Ca 0.00 -0.36 0.07 0.00 -1.03 0.00 0.00 54.13 52.81 1jr5 s LEU 49 Cb 0.00 -0.99 0.58 0.00 0.03 0.00 0.00 46.19 45.81 1jr5 s LEU 49 CO 0.00 0.17 1.66 0.59 0.23 0.00 0.00 176.35 179.00 1jr5 n ASN 50 N 3.04 3.03 0.00 2.29 4.13 -1.26 -4.77 115.26 121.72 1jr5 n ASN 50 Ca -0.17 -3.72 0.00 0.00 1.68 0.00 0.00 54.58 52.36 1jr5 n ASN 50 Cb 0.53 -0.73 0.00 0.00 -1.54 0.00 0.00 39.78 38.05 1jr5 n ASN 50 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1jr5 n GLN 51 N -1.14 0.00 0.00 3.52 6.02 -1.26 -4.80 117.38 119.72 1jr5 n GLN 51 Ca 0.45 0.00 0.06 0.00 -0.01 0.00 0.00 57.00 57.50 1jr5 n GLN 51 Cb 1.31 -1.47 -0.07 0.00 1.02 0.00 0.00 30.24 31.03 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 0.72 -0.04 1.08 2.85 -1.26 -4.48 115.26 114.12 1jr5 n ASN 52 Ca 0.00 -0.86 -0.01 0.00 -0.11 0.00 0.00 54.58 53.60 1jr5 n ASN 52 Cb 0.00 0.94 -0.00 0.00 1.24 0.00 0.00 39.78 41.96 1jr5 n ASN 52 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 1jr5 h SER 53 N 0.16 0.00 -0.78 1.20 0.02 -1.94 -3.33 113.55 108.89 1jr5 h SER 53 Ca 0.00 0.00 0.18 0.00 -0.84 0.00 0.00 61.79 61.13 1jr5 h SER 53 Cb 0.33 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 62.74 1jr5 h SER 53 CO 0.00 0.44 0.07 0.15 -1.14 0.00 0.00 176.83 176.35 1jr5 h PHE 54 N -0.80 0.07 -0.50 3.45 3.57 -1.97 0.57 116.94 121.33 1jr5 h PHE 54 Ca 0.00 0.05 0.10 0.00 3.53 0.00 0.00 57.97 61.65 1jr5 h PHE 54 Cb 0.08 0.09 -0.09 0.00 2.79 0.00 0.00 35.95 38.83 1jr5 h PHE 54 CO -0.04 -0.21 -0.04 0.07 -2.23 0.00 0.00 178.31 175.86 1jr5 h ARG 55 N 0.15 0.07 0.00 1.11 0.11 -1.78 0.35 114.38 114.38 1jr5 h ARG 55 Ca 0.44 -0.00 -0.12 0.00 0.10 0.00 0.00 59.98 60.40 1jr5 h ARG 55 Cb 0.80 -0.02 -0.02 0.00 1.11 0.00 0.00 29.97 31.84 1jr5 h ARG 55 CO -0.64 0.05 -0.55 0.87 0.10 0.00 0.00 179.97 179.80 1jr5 h LYS 56 N 0.08 0.00 0.89 0.08 1.57 -1.25 0.43 116.57 118.36 1jr5 h LYS 56 Ca 0.25 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.98 1jr5 h LYS 56 Cb 0.38 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.70 1jr5 h LYS 56 CO -0.45 0.55 -0.43 0.82 -0.57 0.00 0.00 179.45 179.38 1jr5 h ILE 57 N 0.00 0.00 -0.52 1.86 2.04 0.12 0.33 117.51 121.34 1jr5 h ILE 57 Ca -0.01 -0.02 -0.03 0.00 1.00 0.00 0.00 64.86 65.81 1jr5 h ILE 57 Cb 0.98 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 1jr5 h ILE 57 CO 0.07 0.00 0.19 0.58 0.00 0.00 0.00 178.15 179.00 1jr5 h VAL 58 N -1.21 1.20 -0.12 1.67 2.07 -0.39 0.87 116.25 120.34 1jr5 h VAL 58 Ca -0.12 -0.64 -0.03 0.00 0.82 0.00 0.00 66.70 66.74 1jr5 h VAL 58 Cb 0.92 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 1jr5 h VAL 58 CO 0.20 0.25 -0.05 -1.28 0.02 0.00 0.00 177.57 176.71 1jr5 h SER 59 N 0.75 0.15 -0.41 0.57 0.87 0.14 -1.37 113.55 114.25 1jr5 h SER 59 Ca 0.18 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 1jr5 h SER 59 Cb 0.17 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 1jr5 h SER 59 CO -0.01 0.23 0.00 -0.62 -0.53 0.00 0.00 176.83 175.90 1jr5 n GLU 60 N -4.38 3.04 -3.18 2.24 1.02 0.11 -4.93 120.64 114.56 1jr5 n GLU 60 Ca -0.01 -2.45 -0.40 0.00 -0.02 0.00 0.00 57.16 54.28 1jr5 n GLU 60 Cb 0.18 -1.55 -0.07 0.00 -0.02 0.00 0.00 31.44 29.99 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 -1.62 4.11 0.31 -4.62 1.98 0.29 -4.93 118.68 114.21 1jr5 s LEU 61 Ca 0.35 0.70 0.08 0.00 -2.89 0.00 0.00 54.13 52.36 1jr5 s LEU 61 Cb 0.22 -2.78 -0.03 0.00 0.66 0.00 0.00 46.19 44.26 1jr5 s LEU 61 CO 0.17 -0.26 0.20 0.28 -1.89 0.00 0.00 176.35 174.85 1jr5 s THR 62 N 2.00 3.59 -0.15 3.68 -1.32 -1.26 -4.92 115.64 117.26 1jr5 s THR 62 Ca 0.25 -1.52 0.24 0.00 -1.21 0.00 0.00 61.69 59.45 1jr5 s THR 62 Cb -0.16 -3.14 0.24 0.00 -1.51 0.00 0.00 72.50 67.93 1jr5 s THR 62 CO 0.09 -0.23 1.73 0.06 -2.21 0.00 0.00 174.62 174.06 1jr5 h GLN 63 N 1.44 0.00 0.03 7.08 3.07 -1.99 -0.41 115.11 124.32 1jr5 h GLN 63 Ca -0.45 0.00 -0.27 0.00 0.09 0.00 0.00 58.65 58.02 1jr5 h GLN 63 Cb 1.25 0.00 0.02 0.00 0.08 0.00 0.00 27.48 28.83 1jr5 h GLN 63 CO 0.60 0.00 -1.08 1.49 0.09 0.00 0.00 178.83 179.93 1jr5 h GLU 64 N 0.00 0.65 -0.31 0.06 4.81 -1.99 -1.08 114.58 116.72 1jr5 h GLU 64 Ca 0.00 -0.74 0.07 0.00 -0.13 0.00 0.00 59.36 58.57 1jr5 h GLU 64 Cb 0.04 0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 1jr5 h GLU 64 CO 0.00 1.31 0.22 0.22 -0.73 0.00 0.00 179.01 180.03 1jr5 h ASP 65 N 0.35 0.08 -0.11 1.04 1.82 -1.46 0.31 116.42 118.45 1jr5 h ASP 65 Ca -0.14 0.00 -0.10 0.00 -0.39 0.00 0.00 57.03 56.40 1jr5 h ASP 65 Cb 1.74 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 41.74 1jr5 h ASP 65 CO 0.21 0.05 -0.33 0.50 -1.61 0.00 0.00 179.24 178.06 1jr5 h LYS 66 N 0.09 0.42 -0.36 0.28 3.64 -1.32 -0.49 116.57 118.84 1jr5 h LYS 66 Ca 0.15 -0.31 -0.02 0.00 -1.27 0.00 0.00 60.65 59.20 1jr5 h LYS 66 Cb 0.46 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 1jr5 h LYS 66 CO -0.01 0.93 0.15 0.87 -2.27 0.00 0.00 179.45 179.11 1jr5 h LYS 67 N -0.00 0.54 -0.53 1.90 1.79 0.33 0.48 116.57 121.08 1jr5 h LYS 67 Ca -0.01 -0.09 -0.08 0.00 -2.18 0.00 0.00 60.65 58.28 1jr5 h LYS 67 Cb 0.95 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 31.50 1jr5 h LYS 67 CO 0.07 0.52 -0.00 1.15 -1.08 0.00 0.00 179.45 180.11 1jr5 h THR 68 N 0.44 1.26 0.00 -0.16 2.02 -0.51 -0.26 112.91 115.71 1jr5 h THR 68 Ca 0.12 -1.10 -0.08 0.00 0.77 0.00 0.00 66.41 66.12 1jr5 h THR 68 Cb 0.17 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 1jr5 h THR 68 CO -0.01 0.39 -0.37 0.17 0.37 0.00 0.00 175.52 176.06 1jr5 h LEU 69 N 0.80 0.00 -0.68 2.58 -0.00 -0.99 -2.95 115.31 114.08 1jr5 h LEU 69 Ca 0.15 0.00 -0.14 0.00 -0.00 0.00 0.00 57.88 57.89 1jr5 h LEU 69 Cb 0.53 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.18 1jr5 h LEU 69 CO 0.03 0.37 -0.51 0.40 -0.00 0.00 0.00 178.44 178.73 1jr5 h ILE 70 N 0.00 1.33 -1.52 0.15 2.04 0.25 0.22 117.51 119.99 1jr5 h ILE 70 Ca -0.00 -1.75 0.48 0.00 1.00 0.00 0.00 64.86 64.59 1jr5 h ILE 70 Cb 1.23 1.78 -0.12 0.00 -0.74 0.00 0.00 36.82 38.98 1jr5 h ILE 70 CO 0.05 0.53 1.02 -0.78 0.00 0.00 0.00 178.15 178.97 1jr5 h ASP 71 N 0.31 0.15 0.00 1.72 3.58 -0.86 0.50 116.42 121.83 1jr5 h ASP 71 Ca 0.01 0.10 -0.23 0.00 0.42 0.00 0.00 57.03 57.33 1jr5 h ASP 71 Cb 1.00 0.10 -0.04 0.00 1.72 0.00 0.00 39.33 42.11 1jr5 h ASP 71 CO 0.09 -0.15 -1.87 -0.62 -2.88 0.00 0.00 179.24 173.80 1jr5 n GLU 72 N -4.48 1.49 -2.44 0.28 1.02 -1.12 -4.62 120.64 110.77 1jr5 n GLU 72 Ca 0.40 0.02 -0.39 0.00 -0.02 0.00 0.00 57.16 57.17 1jr5 n GLU 72 Cb 1.63 -1.32 0.02 0.00 -0.02 0.00 0.00 31.44 31.75 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 -2.62 2.93 0.00 -0.32 3.01 0.93 -4.93 117.46 116.46 1jr5 n PHE 73 Ca -0.23 -2.59 0.00 0.00 1.01 0.00 0.00 57.45 55.64 1jr5 n PHE 73 Cb 0.88 -1.12 0.00 0.00 -0.01 0.00 0.00 39.48 39.22 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 -0.23 0.00 -0.52 4.37 4.13 0.14 -3.93 115.26 119.22 1jr5 n ASN 74 Ca 0.48 0.16 0.07 0.00 1.68 0.00 0.00 54.58 56.97 1jr5 n ASN 74 Cb 0.27 0.00 0.17 0.00 -1.54 0.00 0.00 39.78 38.68 1jr5 n ASN 74 CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70 1jr5 n GLU 75 N -0.33 2.56 -0.43 3.52 -0.00 -1.26 -4.59 120.64 120.12 1jr5 n GLU 75 Ca 0.00 -2.40 0.09 0.00 -0.00 0.00 0.00 57.16 54.85 1jr5 n GLU 75 Cb 0.00 -1.51 0.30 0.00 -0.00 0.00 0.00 31.44 30.23 1jr5 n GLU 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1jr5 n GLY 76 N -0.47 2.17 0.00 -1.84 0.00 -1.25 -4.23 105.19 99.57 1jr5 n GLY 76 Ca 0.15 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 1.19 0.00 0.73 1.61 -1.74 -1.26 -4.81 117.46 113.17 1jr5 n PHE 77 Ca 0.22 -0.04 0.08 0.00 -0.56 0.00 0.00 57.45 57.15 1jr5 n PHE 77 Cb 0.66 -0.00 0.40 0.00 1.52 0.00 0.00 39.48 42.06 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 -0.04 0.17 -0.22 3.97 2.13 -1.26 -1.77 120.64 123.63 1jr5 n GLU 78 Ca 0.00 0.15 0.07 0.00 0.66 0.00 0.00 57.16 58.04 1jr5 n GLU 78 Cb 0.32 -1.50 0.10 0.00 0.27 0.00 0.00 31.44 30.63 1jr5 n GLU 78 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1jr5 n GLY 79 N 0.14 3.65 0.93 8.31 0.00 -1.26 -4.37 105.19 112.58 1jr5 n GLY 79 Ca 0.07 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.02 0.00 0.18 1.61 3.14 -1.05 -4.08 118.33 117.11 1jr5 n VAL 80 Ca 0.12 0.00 0.04 0.00 -2.96 0.00 0.00 64.34 61.54 1jr5 n VAL 80 Cb 0.66 -0.77 0.33 0.00 -1.06 0.00 0.00 33.84 33.00 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 0.00 0.02 1.45 3.20 -1.64 -0.37 116.97 119.63 1jr5 h TYR 81 Ca 0.00 0.00 -0.29 0.00 3.14 0.00 0.00 58.73 61.58 1jr5 h TYR 81 Cb 0.55 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.78 1jr5 h TYR 81 CO 0.00 0.41 -1.65 0.00 -1.64 0.00 0.00 178.16 175.29 1jr5 h ARG 82 N 0.00 0.04 -0.30 1.82 2.47 -1.76 -3.36 114.38 113.28 1jr5 h ARG 82 Ca -0.00 -0.07 -0.10 0.00 -1.26 0.00 0.00 59.98 58.55 1jr5 h ARG 82 Cb 0.87 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 29.20 1jr5 h ARG 82 CO 0.05 0.65 -0.19 1.88 0.56 0.00 0.00 179.97 182.92 1jr5 h TYR 83 N 0.01 0.78 -0.63 3.04 -1.99 -1.64 -2.75 116.97 113.80 1jr5 h TYR 83 Ca -0.26 -0.21 0.14 0.00 2.00 0.00 0.00 58.73 60.40 1jr5 h TYR 83 Cb 1.99 -0.17 -0.04 0.00 2.00 0.00 0.00 36.73 40.51 1jr5 h TYR 83 CO 0.01 0.92 0.43 1.37 -0.00 0.00 0.00 178.16 180.89 1jr5 h LEU 84 N 0.42 0.23 0.41 3.88 8.10 -1.23 -2.15 115.31 124.96 1jr5 h LEU 84 Ca 0.06 0.01 -0.02 0.00 0.11 0.00 0.00 57.88 58.04 1jr5 h LEU 84 Cb 0.74 -0.04 0.00 0.00 -0.44 0.00 0.00 40.66 40.93 1jr5 h LEU 84 CO 0.05 0.12 -0.20 -0.33 -4.11 0.00 0.00 178.44 173.98 1jr5 h GLU 85 N 0.25 -0.53 -1.38 0.17 5.08 -1.52 0.91 114.58 117.55 1jr5 h GLU 85 Ca 0.30 0.04 0.41 0.00 -1.00 0.00 0.00 59.36 59.11 1jr5 h GLU 85 Cb 0.85 0.12 -0.08 0.00 0.50 0.00 0.00 28.75 30.13 1jr5 h GLU 85 CO -0.06 -0.36 0.96 0.52 -1.00 0.00 0.00 179.01 179.07 1jr5 h MET 86 N -0.87 0.09 0.10 2.33 2.86 -1.20 0.22 114.93 118.46 1jr5 h MET 86 Ca -0.06 -0.01 -0.33 0.00 -2.06 0.00 0.00 59.70 57.25 1jr5 h MET 86 Cb 0.42 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.05 1jr5 h MET 86 CO 0.09 0.06 -1.80 1.88 1.06 0.00 0.00 176.91 178.20 1jr5 h TYR 87 N 0.09 0.39 -2.11 -0.22 0.05 -1.39 -3.46 116.97 110.32 1jr5 h TYR 87 Ca 0.73 -0.29 -0.17 0.00 0.05 0.00 0.00 58.73 59.05 1jr5 h TYR 87 Cb 2.58 -0.02 -0.30 0.00 1.01 0.00 0.00 36.73 40.00 1jr5 h TYR 87 CO -0.00 1.71 -0.49 -0.08 -1.05 0.00 0.00 178.16 178.25 1jr5 s THR 88 N -2.51 -0.56 -0.00 -2.88 -1.32 0.32 -4.45 115.64 104.23 1jr5 s THR 88 Ca -0.23 -0.03 -0.01 0.00 -1.21 0.00 0.00 61.69 60.21 1jr5 s THR 88 Cb 0.06 -0.76 -0.00 0.00 -1.51 0.00 0.00 72.50 70.29 1jr5 s THR 88 CO 0.74 -0.10 0.02 0.21 -2.21 0.00 0.00 174.62 173.28 1jr5 s ASN 89 N 2.52 0.06 0.00 8.08 3.04 -0.95 -3.43 114.94 124.26 1jr5 s ASN 89 Ca 0.10 -0.14 0.00 0.00 0.04 0.00 0.00 52.86 52.86 1jr5 s ASN 89 Cb -0.15 0.09 0.00 0.00 -1.54 0.00 0.00 41.25 39.65 1jr5 s ASN 89 CO -0.14 -0.13 0.00 2.29 -3.04 0.00 0.00 177.10 176.08