#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 1.33 -4.23 7.83 6.94 -1.26 -4.88 115.26 120.99 1jr5 n ASN 2 Ca 0.00 -2.29 -0.13 0.00 -0.02 0.00 0.00 54.58 52.14 1jr5 n ASN 2 Cb 0.00 -0.22 -0.10 0.00 -2.36 0.00 0.00 39.78 37.10 1jr5 n ASN 2 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1jr5 s LYS 3 N -1.34 1.06 0.21 -3.83 3.01 -1.26 -5.04 119.74 112.54 1jr5 s LYS 3 Ca 0.13 -1.49 -0.10 0.00 -1.01 0.00 0.00 55.97 53.50 1jr5 s LYS 3 Cb 0.11 -0.33 0.15 0.00 -1.01 0.00 0.00 37.83 36.76 1jr5 s LYS 3 CO 0.01 -0.07 1.87 -0.91 0.51 0.00 0.00 175.35 176.76 1jr5 h ASN 4 N 2.75 0.86 -1.67 2.83 4.21 -1.97 -2.34 115.58 120.25 1jr5 h ASN 4 Ca -0.36 -0.03 0.49 0.00 1.21 0.00 0.00 56.30 57.60 1jr5 h ASN 4 Cb 1.19 -0.22 -0.07 0.00 -1.12 0.00 0.00 38.32 38.11 1jr5 h ASN 4 CO 0.63 0.63 1.19 -0.29 -1.29 0.00 0.00 177.43 178.31 1jr5 h ILE 5 N 1.01 0.15 0.15 2.81 2.10 -1.94 0.53 117.51 122.32 1jr5 h ILE 5 Ca 0.27 -0.00 -0.01 0.00 1.08 0.00 0.00 64.86 66.20 1jr5 h ILE 5 Cb -0.10 0.14 0.00 0.00 -1.09 0.00 0.00 36.82 35.77 1jr5 h ILE 5 CO -0.06 0.00 -0.07 0.44 -1.08 0.00 0.00 178.15 177.38 1jr5 h ASP 6 N 0.01 -0.17 0.29 2.19 3.32 -1.84 0.49 116.42 120.71 1jr5 h ASP 6 Ca 0.80 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.86 1jr5 h ASP 6 Cb 3.18 0.04 0.00 0.00 0.22 0.00 0.00 39.33 42.78 1jr5 h ASP 6 CO -0.04 0.12 0.00 0.74 -1.72 0.00 0.00 179.24 178.34 1jr5 h THR 7 N -0.68 0.00 0.00 0.35 2.02 -1.42 -0.76 112.91 112.41 1jr5 h THR 7 Ca -0.02 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.03 1jr5 h THR 7 Cb 0.15 0.94 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 1jr5 h THR 7 CO 0.03 0.00 -0.02 0.58 0.37 0.00 0.00 175.52 176.49 1jr5 h VAL 8 N 0.00 0.00 -1.08 3.16 2.07 -0.05 -0.42 116.25 119.93 1jr5 h VAL 8 Ca 0.00 -0.81 0.30 0.00 0.82 0.00 0.00 66.70 67.01 1jr5 h VAL 8 Cb 0.14 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 29.80 1jr5 h VAL 8 CO 0.00 0.00 0.68 0.03 0.02 0.00 0.00 177.57 178.30 1jr5 h ARG 9 N -0.81 0.35 0.09 1.57 3.08 -0.62 0.25 114.38 118.29 1jr5 h ARG 9 Ca 0.00 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 1jr5 h ARG 9 Cb 0.02 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1jr5 h ARG 9 CO 0.00 0.23 -0.04 1.05 -1.07 0.00 0.00 179.97 180.14 1jr5 h GLU 10 N 0.36 -0.12 -0.62 0.04 4.11 -1.25 -1.85 114.58 115.26 1jr5 h GLU 10 Ca 0.65 0.01 0.13 0.00 0.07 0.00 0.00 59.36 60.22 1jr5 h GLU 10 Cb 1.67 0.03 -0.12 0.00 0.50 0.00 0.00 28.75 30.83 1jr5 h GLU 10 CO -0.37 0.42 -0.14 0.82 0.07 0.00 0.00 179.01 179.81 1jr5 h ILE 11 N -0.84 0.39 0.79 -1.06 2.04 0.83 0.31 117.51 119.97 1jr5 h ILE 11 Ca -0.01 -0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.81 1jr5 h ILE 11 Cb 0.59 0.38 0.01 0.00 -0.74 0.00 0.00 36.82 37.05 1jr5 h ILE 11 CO 0.02 0.00 -0.38 0.16 0.00 0.00 0.00 178.15 177.95 1jr5 h ILE 12 N 0.01 0.00 -0.39 -0.67 3.07 -0.69 -1.47 117.51 117.36 1jr5 h ILE 12 Ca 0.30 -0.06 0.05 0.00 1.55 0.00 0.00 64.86 66.70 1jr5 h ILE 12 Cb 0.46 0.00 -0.08 0.00 -0.27 0.00 0.00 36.82 36.93 1jr5 h ILE 12 CO -0.63 0.00 -0.53 0.74 -1.05 0.00 0.00 178.15 176.68 1jr5 h THR 13 N -1.12 0.00 0.21 0.16 2.02 -0.70 0.14 112.91 113.62 1jr5 h THR 13 Ca -0.11 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.07 1jr5 h THR 13 Cb 0.81 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.19 1jr5 h THR 13 CO 0.18 0.00 -0.44 -0.37 0.37 0.00 0.00 175.52 175.26 1jr5 h VAL 14 N -0.38 0.00 -0.68 3.16 -1.51 -0.45 0.97 116.25 117.36 1jr5 h VAL 14 Ca 0.07 0.00 0.20 0.00 -1.23 0.00 0.00 66.70 65.74 1jr5 h VAL 14 Cb 0.57 0.00 -0.03 0.00 -2.13 0.00 0.00 31.29 29.70 1jr5 h VAL 14 CO -0.57 0.00 0.61 0.00 -1.23 0.00 0.00 177.57 176.38 1jr5 h ALA 15 N -0.83 2.50 -0.15 5.19 0.00 -1.01 0.87 119.26 125.83 1jr5 h ALA 15 Ca -0.02 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.65 1jr5 h ALA 15 Cb 0.67 0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.52 1jr5 h ALA 15 CO -0.17 -0.96 -0.77 0.66 0.00 0.00 0.00 179.25 178.00 1jr5 h SER 16 N 0.00 0.90 -0.84 0.00 4.64 0.10 -1.02 113.55 117.33 1jr5 h SER 16 Ca 0.32 -0.58 0.07 0.00 -0.47 0.00 0.00 61.79 61.13 1jr5 h SER 16 Cb 1.55 -0.26 -0.06 0.00 -0.31 0.00 0.00 62.40 63.31 1jr5 h SER 16 CO -0.00 1.38 0.51 0.40 -0.87 0.00 0.00 176.83 178.24 1jr5 h ILE 17 N 0.52 1.00 0.14 0.95 2.04 0.31 0.52 117.51 122.97 1jr5 h ILE 17 Ca -0.05 -0.31 0.01 0.00 1.00 0.00 0.00 64.86 65.51 1jr5 h ILE 17 Cb 1.39 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 1jr5 h ILE 17 CO 0.16 0.16 -0.20 -0.07 0.00 0.00 0.00 178.15 178.20 1jr5 h LEU 18 N 0.90 -0.56 -1.83 1.44 3.38 -0.98 0.17 115.31 117.84 1jr5 h LEU 18 Ca 0.38 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.44 1jr5 h LEU 18 Cb 0.23 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1jr5 h LEU 18 CO -0.19 -0.29 0.17 0.40 0.09 0.00 0.00 178.44 178.62 1jr5 h ILE 19 N -0.40 0.99 -0.00 1.22 2.04 0.19 0.91 117.51 122.47 1jr5 h ILE 19 Ca 0.02 -0.08 -0.16 0.00 1.00 0.00 0.00 64.86 65.64 1jr5 h ILE 19 Cb 0.41 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 1jr5 h ILE 19 CO -0.09 0.04 -0.77 0.50 0.00 0.00 0.00 178.15 177.83 1jr5 h LYS 20 N 0.23 0.02 -0.91 2.37 3.11 0.12 -2.96 116.57 118.54 1jr5 h LYS 20 Ca 0.11 -0.02 -0.18 0.00 -2.81 0.00 0.00 60.65 57.75 1jr5 h LYS 20 Cb 0.14 0.01 -0.11 0.00 -1.00 0.00 0.00 32.23 31.27 1jr5 h LYS 20 CO -0.02 0.78 0.23 1.19 -2.81 0.00 0.00 179.45 178.81 1jr5 n PHE 21 N -3.64 1.52 -2.96 1.91 3.72 0.49 -4.83 117.46 113.66 1jr5 n PHE 21 Ca -0.01 -0.93 -0.22 0.00 -0.05 0.00 0.00 57.45 56.24 1jr5 n PHE 21 Cb 0.74 -0.52 0.03 0.00 -0.94 0.00 0.00 39.48 38.79 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 -0.13 -6.10 -1.41 4.37 7.64 -1.11 -4.89 113.62 112.01 1jr5 n SER 22 Ca 0.27 -0.26 -0.08 0.00 1.01 0.00 0.00 58.87 59.80 1jr5 n SER 22 Cb 1.02 -4.92 0.20 0.00 -1.01 0.00 0.00 64.21 59.50 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 -3.93 2.04 0.25 1.43 5.12 0.30 -4.64 116.66 117.24 1jr5 n ARG 23 Ca -0.12 -3.13 0.17 0.00 -1.93 0.00 0.00 57.85 52.83 1jr5 n ARG 23 Cb 0.63 -1.91 0.77 0.00 -1.16 0.00 0.00 32.46 30.79 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 1.10 0.00 -0.64 5.56 5.08 -1.79 0.46 114.58 124.35 1jr5 h GLU 24 Ca 0.30 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.62 1jr5 h GLU 24 Cb 1.93 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 31.15 1jr5 h GLU 24 CO 0.55 0.00 0.22 -0.44 -1.00 0.00 0.00 179.01 178.34 1jr5 h ASP 25 N 0.00 0.89 0.35 1.42 5.19 -1.93 0.62 116.42 122.95 1jr5 h ASP 25 Ca 0.07 -0.14 -0.30 0.00 -0.62 0.00 0.00 57.03 56.04 1jr5 h ASP 25 Cb 0.85 -0.23 0.02 0.00 0.18 0.00 0.00 39.33 40.15 1jr5 h ASP 25 CO -0.00 0.82 -1.30 0.40 -3.12 0.00 0.00 179.24 176.03 1jr5 h ILE 26 N 0.94 1.36 0.00 0.35 2.04 -0.48 -3.19 117.51 118.53 1jr5 h ILE 26 Ca 0.21 -2.73 0.00 0.00 1.00 0.00 0.00 64.86 63.34 1jr5 h ILE 26 Cb 0.23 2.87 0.00 0.00 -0.74 0.00 0.00 36.82 39.19 1jr5 h ILE 26 CO -0.01 0.81 0.00 0.58 0.00 0.00 0.00 178.15 179.53 1jr5 h VAL 27 N 0.17 0.00 -0.12 1.67 2.07 -0.99 -3.01 116.25 116.04 1jr5 h VAL 27 Ca -0.19 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 66.78 1jr5 h VAL 27 Cb 2.00 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 33.28 1jr5 h VAL 27 CO 0.24 0.00 0.00 -0.62 0.02 0.00 0.00 177.57 177.21 1jr5 n GLU 28 N -2.95 1.77 -4.22 1.57 1.02 0.21 -4.72 120.64 113.33 1jr5 n GLU 28 Ca 0.01 -1.14 -0.19 0.00 -0.02 0.00 0.00 57.16 55.83 1jr5 n GLU 28 Cb 0.33 -1.44 -0.12 0.00 -0.02 0.00 0.00 31.44 30.20 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 -1.74 1.69 0.00 1.62 2.47 -1.15 -4.74 114.94 113.09 1jr5 s ASN 29 Ca 0.35 -0.58 -0.24 0.00 0.42 0.00 0.00 52.86 52.81 1jr5 s ASN 29 Cb 0.19 -0.06 -0.13 0.00 -1.45 0.00 0.00 41.25 39.79 1jr5 s ASN 29 CO 0.29 -0.05 1.00 0.03 -3.72 0.00 0.00 177.10 174.66 1jr5 h ARG 30 N 4.45 -0.84 -0.72 0.43 3.08 -1.86 -1.19 114.38 117.73 1jr5 h ARG 30 Ca -0.40 0.06 0.15 0.00 0.07 0.00 0.00 59.98 59.86 1jr5 h ARG 30 Cb 1.19 0.19 -0.05 0.00 0.08 0.00 0.00 29.97 31.38 1jr5 h ARG 30 CO 0.41 -0.56 0.49 0.00 -1.07 0.00 0.00 179.97 179.24 1jr5 h ALA 31 N -1.24 2.18 0.43 0.04 0.00 -1.95 0.10 119.26 118.83 1jr5 h ALA 31 Ca -0.09 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1jr5 h ALA 31 Cb 0.67 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1jr5 h ALA 31 CO 0.15 -0.38 -0.21 -0.91 0.00 0.00 0.00 179.25 177.90 1jr5 h ASN 32 N 0.35 -0.49 -0.10 0.00 2.35 -1.77 -0.00 115.58 115.91 1jr5 h ASN 32 Ca 0.35 -0.09 0.02 0.00 -0.55 0.00 0.00 56.30 56.04 1jr5 h ASN 32 Cb 0.88 0.13 -0.02 0.00 0.05 0.00 0.00 38.32 39.36 1jr5 h ASN 32 CO -0.10 -0.19 -0.03 0.15 -1.65 0.00 0.00 177.43 175.61 1jr5 h PHE 33 N -0.81 -0.07 0.11 1.19 3.57 -0.24 0.43 116.94 121.12 1jr5 h PHE 33 Ca -0.06 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.46 1jr5 h PHE 33 Cb 0.55 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.31 1jr5 h PHE 33 CO 0.00 -0.05 -0.20 0.82 -2.23 0.00 0.00 178.31 176.64 1jr5 h ILE 34 N -0.01 0.54 -0.53 1.41 2.04 -0.85 -0.39 117.51 119.72 1jr5 h ILE 34 Ca 0.05 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.92 1jr5 h ILE 34 Cb 0.08 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 36.67 1jr5 h ILE 34 CO -0.11 0.00 0.34 0.00 0.00 0.00 0.00 178.15 178.38 1jr5 h ALA 35 N 0.41 0.67 -0.84 1.87 0.00 -0.81 -0.47 119.26 120.10 1jr5 h ALA 35 Ca 0.03 -0.03 0.18 0.00 0.00 0.00 0.00 54.91 55.09 1jr5 h ALA 35 Cb 0.41 -0.19 -0.11 0.00 0.00 0.00 0.00 17.79 17.90 1jr5 h ALA 35 CO -0.11 0.08 0.36 0.35 0.00 0.00 0.00 179.25 179.93 1jr5 h PHE 36 N 0.69 0.61 -0.49 0.00 3.57 0.32 0.55 116.94 122.20 1jr5 h PHE 36 Ca 0.20 0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.66 1jr5 h PHE 36 Cb -0.05 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.53 1jr5 h PHE 36 CO -0.05 0.03 -0.01 -0.07 -2.23 0.00 0.00 178.31 175.99 1jr5 h LEU 37 N 0.45 0.85 -0.26 0.59 3.38 -0.22 -1.70 115.31 118.41 1jr5 h LEU 37 Ca 0.49 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1jr5 h LEU 37 Cb 0.83 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1jr5 h LEU 37 CO -0.46 0.95 0.00 -3.20 0.09 0.00 0.00 178.44 175.83 1jr5 n ASN 38 N -4.33 0.32 -0.12 -0.43 5.15 0.13 -0.83 115.26 115.16 1jr5 n ASN 38 Ca 0.01 0.57 -0.21 0.00 -0.60 0.00 0.00 54.58 54.34 1jr5 n ASN 38 Cb 0.32 -0.64 -0.10 0.00 -0.53 0.00 0.00 39.78 38.83 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 -1.84 0.56 0.11 1.20 0.28 0.15 -4.55 120.64 116.54 1jr5 n GLU 39 Ca 0.04 0.18 -0.04 0.00 -0.16 0.00 0.00 57.16 57.18 1jr5 n GLU 39 Cb 0.23 -1.43 0.13 0.00 1.43 0.00 0.00 31.44 31.81 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 -0.42 1.42 0.00 3.84 -2.65 -1.41 -3.47 117.51 114.82 1jr5 h ILE 40 Ca -0.57 -2.08 0.00 0.00 1.03 0.00 0.00 64.86 63.23 1jr5 h ILE 40 Cb 1.69 2.09 0.00 0.00 -2.05 0.00 0.00 36.82 38.55 1jr5 h ILE 40 CO -0.22 0.61 0.00 0.61 0.03 0.00 0.00 178.15 179.17 1jr5 n GLY 41 N 0.30 0.96 3.66 0.16 0.00 -1.05 -5.12 105.19 104.11 1jr5 n GLY 41 Ca -0.02 0.00 -0.35 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 -1.12 4.19 0.31 1.61 1.01 -0.01 -5.06 120.40 121.33 1jr5 s VAL 42 Ca 0.00 -0.31 -0.08 0.00 0.00 0.00 0.00 61.98 61.60 1jr5 s VAL 42 Cb 0.00 -2.76 0.01 0.00 0.00 0.00 0.00 36.38 33.63 1jr5 s VAL 42 CO 0.00 0.59 0.50 0.42 0.00 0.00 0.00 175.10 176.62 1jr5 s THR 43 N -0.88 0.00 -0.03 3.92 -4.23 -1.26 -3.92 115.64 109.24 1jr5 s THR 43 Ca 0.13 -1.47 0.05 0.00 -1.18 0.00 0.00 61.69 59.22 1jr5 s THR 43 Cb -0.11 -2.52 0.07 0.00 1.34 0.00 0.00 72.50 71.28 1jr5 s THR 43 CO 0.02 0.00 0.91 1.57 -0.54 0.00 0.00 174.62 176.59 1jr5 n HIS 44 N -0.49 0.00 0.00 3.99 -0.00 -1.09 -4.68 115.22 112.95 1jr5 n HIS 44 Ca -0.01 -0.36 0.00 0.00 0.46 0.00 0.00 57.72 57.81 1jr5 n HIS 44 Cb 0.62 -0.06 0.00 0.00 -0.12 0.00 0.00 29.99 30.42 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 -0.47 0.00 -0.99 1.57 0.28 -1.26 -4.91 120.64 114.86 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 0.53 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.40 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 0.33 3.10 -1.84 0.00 -1.26 -4.97 105.19 100.55 1jr5 n GLY 46 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.72 0.25 0.00 1.61 1.81 -1.26 -5.05 118.95 115.59 1jr5 s ARG 47 Ca 0.00 0.53 0.00 0.00 -1.72 0.00 0.00 55.73 54.54 1jr5 s ARG 47 Cb 0.00 -0.06 0.00 0.00 -0.45 0.00 0.00 34.95 34.44 1jr5 s ARG 47 CO 0.00 -0.14 0.00 0.36 -0.68 0.00 0.00 175.30 174.84 1jr5 n LYS 48 N 3.99 3.17 -4.16 3.54 -0.00 -1.25 -2.69 118.16 120.75 1jr5 n LYS 48 Ca -0.23 0.00 -0.15 0.00 -0.00 0.00 0.00 58.31 57.93 1jr5 n LYS 48 Cb 0.54 0.00 -0.11 0.00 -0.00 0.00 0.00 35.03 35.46 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 2.35 -0.25 -5.58 1.43 -1.26 -4.65 118.68 110.72 1jr5 s LEU 49 Ca 0.00 -0.72 -0.01 0.00 -1.03 0.00 0.00 54.13 52.37 1jr5 s LEU 49 Cb 0.00 -0.33 -0.17 0.00 0.03 0.00 0.00 46.19 45.71 1jr5 s LEU 49 CO 0.00 -0.21 -0.19 -3.20 0.23 0.00 0.00 176.35 172.98 1jr5 n ASN 50 N 0.87 1.99 0.00 2.29 5.15 -1.26 -4.79 115.26 119.51 1jr5 n ASN 50 Ca -0.18 -0.04 0.00 0.00 -0.60 0.00 0.00 54.58 53.76 1jr5 n ASN 50 Cb 0.56 -0.51 0.00 0.00 -0.53 0.00 0.00 39.78 39.31 1jr5 n ASN 50 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1jr5 n GLN 51 N -3.42 0.00 0.00 1.20 1.13 -1.26 -4.97 117.38 110.06 1jr5 n GLN 51 Ca -0.46 0.00 0.11 0.00 -1.94 0.00 0.00 57.00 54.71 1jr5 n GLN 51 Cb 0.98 0.00 0.05 0.00 0.11 0.00 0.00 30.24 31.37 1jr5 n GLN 51 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1jr5 n ASN 52 N 0.00 0.93 0.05 1.08 2.85 -1.26 -4.31 115.26 114.60 1jr5 n ASN 52 Ca 0.00 -0.79 -0.12 0.00 -0.11 0.00 0.00 54.58 53.56 1jr5 n ASN 52 Cb 0.00 0.64 -0.13 0.00 1.24 0.00 0.00 39.78 41.53 1jr5 n ASN 52 CO 0.00 0.00 0.00 -1.28 -2.11 0.00 0.00 177.26 173.87 1jr5 h SER 53 N 0.31 0.17 0.46 1.20 0.87 -1.96 -3.33 113.55 111.27 1jr5 h SER 53 Ca 0.00 -0.23 -0.02 0.00 -1.23 0.00 0.00 61.79 60.31 1jr5 h SER 53 Cb 0.52 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.43 1jr5 h SER 53 CO 0.00 1.19 -0.22 0.15 -0.53 0.00 0.00 176.83 177.42 1jr5 h PHE 54 N 0.03 -0.57 -0.75 2.24 3.57 -1.99 0.60 116.94 120.08 1jr5 h PHE 54 Ca -0.16 -0.01 0.17 0.00 3.53 0.00 0.00 57.97 61.50 1jr5 h PHE 54 Cb 1.93 0.19 -0.12 0.00 2.79 0.00 0.00 35.95 40.73 1jr5 h PHE 54 CO 0.03 -0.30 0.07 0.07 -2.23 0.00 0.00 178.31 175.94 1jr5 h ARG 55 N -0.71 0.15 0.00 1.11 0.11 -1.77 0.34 114.38 113.60 1jr5 h ARG 55 Ca -0.06 -0.01 -0.13 0.00 0.10 0.00 0.00 59.98 59.88 1jr5 h ARG 55 Cb 0.52 -0.03 -0.02 0.00 1.11 0.00 0.00 29.97 31.55 1jr5 h ARG 55 CO 0.10 0.10 -0.63 0.87 0.10 0.00 0.00 179.97 180.51 1jr5 h LYS 56 N 0.15 0.00 -0.17 0.08 1.79 -1.64 0.21 116.57 117.00 1jr5 h LYS 56 Ca 0.42 0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.93 1jr5 h LYS 56 Cb 0.74 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.36 1jr5 h LYS 56 CO -0.61 0.63 -0.07 0.97 -1.08 0.00 0.00 179.45 179.28 1jr5 h ILE 57 N 0.00 0.77 0.02 1.86 6.09 0.20 0.83 117.51 127.28 1jr5 h ILE 57 Ca -0.01 0.00 -0.15 0.00 -1.37 0.00 0.00 64.86 63.33 1jr5 h ILE 57 Cb 1.19 0.77 0.01 0.00 0.47 0.00 0.00 36.82 39.26 1jr5 h ILE 57 CO 0.08 0.00 -0.61 -0.37 -3.07 0.00 0.00 178.15 174.18 1jr5 h VAL 58 N -0.04 1.44 -0.08 2.19 -1.51 -1.16 -2.31 116.25 114.78 1jr5 h VAL 58 Ca 0.09 -2.13 0.02 0.00 -1.23 0.00 0.00 66.70 63.45 1jr5 h VAL 58 Cb 0.18 2.68 -0.00 0.00 -2.13 0.00 0.00 31.29 32.01 1jr5 h VAL 58 CO -0.20 0.62 0.08 -1.28 -1.23 0.00 0.00 177.57 175.56 1jr5 h SER 59 N -0.15 0.00 0.39 4.19 0.87 -0.31 0.25 113.55 118.79 1jr5 h SER 59 Ca -0.08 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.48 1jr5 h SER 59 Cb 1.34 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.30 1jr5 h SER 59 CO 0.12 0.00 -0.72 -0.62 -0.53 0.00 0.00 176.83 175.08 1jr5 n GLU 60 N -3.97 0.07 -3.32 2.24 1.02 0.29 -4.85 120.64 112.11 1jr5 n GLU 60 Ca -0.01 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.75 1jr5 n GLU 60 Cb 0.18 -1.53 -0.06 0.00 -0.02 0.00 0.00 31.44 30.01 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 -3.25 4.40 0.48 -4.62 0.20 0.88 -5.06 118.68 111.72 1jr5 s LEU 61 Ca 0.09 1.02 0.06 0.00 0.69 0.00 0.00 54.13 55.98 1jr5 s LEU 61 Cb 0.16 -2.76 -0.01 0.00 -0.43 0.00 0.00 46.19 43.15 1jr5 s LEU 61 CO 0.76 0.15 0.26 0.28 -0.29 0.00 0.00 176.35 177.51 1jr5 s THR 62 N -0.28 1.92 -0.13 3.68 -1.32 -1.26 -4.88 115.64 113.37 1jr5 s THR 62 Ca 0.27 -1.62 0.23 0.00 -1.21 0.00 0.00 61.69 59.36 1jr5 s THR 62 Cb -0.17 -2.54 0.23 0.00 -1.51 0.00 0.00 72.50 68.51 1jr5 s THR 62 CO 0.14 0.00 1.71 0.06 -2.21 0.00 0.00 174.62 174.32 1jr5 h GLN 63 N 1.11 0.00 0.24 7.08 3.07 -1.98 -1.61 115.11 123.02 1jr5 h GLN 63 Ca -0.40 0.00 -0.34 0.00 0.09 0.00 0.00 58.65 58.00 1jr5 h GLN 63 Cb 1.28 0.00 0.03 0.00 0.08 0.00 0.00 27.48 28.87 1jr5 h GLN 63 CO 0.64 0.00 -1.54 1.49 0.09 0.00 0.00 178.83 179.51 1jr5 h GLU 64 N 0.00 0.50 -0.48 0.06 4.22 -1.99 -1.18 114.58 115.72 1jr5 h GLU 64 Ca 0.00 -0.86 -0.03 0.00 0.08 0.00 0.00 59.36 58.55 1jr5 h GLU 64 Cb 0.01 0.32 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 1jr5 h GLU 64 CO 0.00 1.41 0.17 0.22 -2.18 0.00 0.00 179.01 178.63 1jr5 h ASP 65 N 0.14 0.63 0.92 1.04 1.82 -1.69 -0.83 116.42 118.45 1jr5 h ASP 65 Ca -0.28 -0.08 -0.05 0.00 -0.39 0.00 0.00 57.03 56.24 1jr5 h ASP 65 Cb 2.15 -0.16 0.01 0.00 0.68 0.00 0.00 39.33 42.01 1jr5 h ASP 65 CO 0.25 0.59 -0.44 0.50 -1.61 0.00 0.00 179.24 178.54 1jr5 h LYS 66 N 0.69 -1.19 -0.91 0.28 3.64 -1.48 -0.61 116.57 116.98 1jr5 h LYS 66 Ca 0.16 0.08 0.16 0.00 -1.27 0.00 0.00 60.65 59.78 1jr5 h LYS 66 Cb 0.18 0.27 -0.16 0.00 -0.41 0.00 0.00 32.23 32.11 1jr5 h LYS 66 CO -0.01 -0.80 -0.32 -0.22 -2.27 0.00 0.00 179.45 175.83 1jr5 h LYS 67 N -1.28 -0.02 -0.15 1.90 1.63 -0.66 1.13 116.57 119.11 1jr5 h LYS 67 Ca -0.13 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.65 1jr5 h LYS 67 Cb 0.95 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.57 1jr5 h LYS 67 CO 0.21 -0.02 -0.01 1.15 -3.45 0.00 0.00 179.45 177.33 1jr5 h THR 68 N -0.02 1.11 0.00 1.00 2.02 -1.04 0.11 112.91 116.08 1jr5 h THR 68 Ca 0.37 -0.42 -0.04 0.00 0.77 0.00 0.00 66.41 67.09 1jr5 h THR 68 Cb 0.62 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 1jr5 h THR 68 CO -0.93 0.14 -0.20 0.25 0.37 0.00 0.00 175.52 175.14 1jr5 h LEU 69 N 0.21 0.00 -0.02 2.58 7.12 0.26 -3.06 115.31 122.40 1jr5 h LEU 69 Ca 0.05 0.00 -0.22 0.00 0.13 0.00 0.00 57.88 57.84 1jr5 h LEU 69 Cb 0.17 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.28 1jr5 h LEU 69 CO 0.00 0.20 -1.01 0.40 -0.13 0.00 0.00 178.44 177.90 1jr5 h ILE 70 N 0.00 1.67 -1.09 4.05 2.04 0.23 0.24 117.51 124.65 1jr5 h ILE 70 Ca -0.00 -3.29 0.30 0.00 1.00 0.00 0.00 64.86 62.87 1jr5 h ILE 70 Cb 1.07 2.82 -0.06 0.00 -0.74 0.00 0.00 36.82 39.91 1jr5 h ILE 70 CO 0.03 0.94 0.76 -0.78 0.00 0.00 0.00 178.15 179.10 1jr5 h ASP 71 N 0.02 0.14 0.00 1.72 1.82 -0.86 0.92 116.42 120.18 1jr5 h ASP 71 Ca -0.03 0.03 -0.25 0.00 -0.39 0.00 0.00 57.03 56.39 1jr5 h ASP 71 Cb 1.76 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 41.73 1jr5 h ASP 71 CO 0.14 0.03 -1.95 -0.62 -1.61 0.00 0.00 179.24 175.23 1jr5 n GLU 72 N -4.34 0.70 -2.11 0.28 4.71 -1.21 -4.58 120.64 114.08 1jr5 n GLU 72 Ca 0.24 0.08 -0.40 0.00 -0.01 0.00 0.00 57.16 57.07 1jr5 n GLU 72 Cb 1.08 -1.34 0.03 0.00 -1.01 0.00 0.00 31.44 30.21 1jr5 n GLU 72 CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 177.13 178.41 1jr5 n PHE 73 N -2.89 2.96 0.00 -0.32 3.01 0.84 -4.93 117.46 116.13 1jr5 n PHE 73 Ca -0.28 -2.41 0.00 0.00 1.01 0.00 0.00 57.45 55.76 1jr5 n PHE 73 Cb 0.84 -1.15 0.00 0.00 -0.01 0.00 0.00 39.48 39.16 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 -0.43 0.00 -1.40 4.37 4.13 0.31 -3.89 115.26 118.36 1jr5 n ASN 74 Ca 0.52 0.00 0.08 0.00 1.68 0.00 0.00 54.58 56.86 1jr5 n ASN 74 Cb 0.25 0.00 0.33 0.00 -1.54 0.00 0.00 39.78 38.82 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 0.00 3.69 -0.73 3.52 0.28 -1.26 -4.39 120.64 121.75 1jr5 n GLU 75 Ca 0.00 -2.83 0.08 0.00 -0.16 0.00 0.00 57.16 54.25 1jr5 n GLU 75 Cb 0.00 -1.87 0.37 0.00 1.43 0.00 0.00 31.44 31.36 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 0.67 3.01 0.00 -1.84 0.00 -1.25 -4.32 105.19 101.47 1jr5 n GLY 76 Ca 0.24 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 0.70 0.00 0.78 1.61 -1.74 -1.26 -4.81 117.46 112.75 1jr5 n PHE 77 Ca 0.26 -0.04 0.08 0.00 -0.56 0.00 0.00 57.45 57.20 1jr5 n PHE 77 Cb 1.04 -0.00 0.42 0.00 1.52 0.00 0.00 39.48 42.46 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 0.21 -0.19 3.97 4.07 -1.26 -1.82 120.64 125.59 1jr5 n GLU 78 Ca 0.00 0.13 0.06 0.00 -0.06 0.00 0.00 57.16 57.29 1jr5 n GLU 78 Cb 0.32 -1.50 0.08 0.00 -0.06 0.00 0.00 31.44 30.28 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 0.18 3.22 0.81 8.31 0.00 -1.26 -4.36 105.19 112.10 1jr5 n GLY 79 Ca 0.08 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.91 0.00 0.14 1.61 3.14 -1.05 -4.01 118.33 117.25 1jr5 n VAL 80 Ca 0.10 0.00 -0.01 0.00 -2.96 0.00 0.00 64.34 61.47 1jr5 n VAL 80 Cb 0.63 -0.82 0.17 0.00 -1.06 0.00 0.00 33.84 32.75 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 0.04 1.45 3.20 -1.65 -1.28 116.97 118.73 1jr5 h TYR 81 Ca 0.00 0.00 -0.18 0.00 3.14 0.00 0.00 58.73 61.69 1jr5 h TYR 81 Cb 0.65 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.91 1jr5 h TYR 81 CO 0.00 0.61 -0.94 0.00 -1.64 0.00 0.00 178.16 176.19 1jr5 h ARG 82 N 0.00 0.09 -0.48 1.82 2.47 -1.76 -3.31 114.38 113.21 1jr5 h ARG 82 Ca -0.01 -0.16 0.09 0.00 -1.26 0.00 0.00 59.98 58.65 1jr5 h ARG 82 Cb 1.12 0.06 -0.08 0.00 -1.65 0.00 0.00 29.97 29.42 1jr5 h ARG 82 CO 0.08 1.08 -0.03 1.88 0.56 0.00 0.00 179.97 183.54 1jr5 h TYR 83 N -0.75 -0.08 -0.04 3.04 -1.99 -1.69 0.53 116.97 115.99 1jr5 h TYR 83 Ca -0.23 0.04 0.01 0.00 2.00 0.00 0.00 58.73 60.55 1jr5 h TYR 83 Cb 1.38 0.11 -0.00 0.00 2.00 0.00 0.00 36.73 40.22 1jr5 h TYR 83 CO 0.16 -0.13 0.07 1.37 -0.00 0.00 0.00 178.16 179.63 1jr5 h LEU 84 N 0.08 0.00 0.00 3.88 -0.00 -1.39 -2.24 115.31 115.64 1jr5 h LEU 84 Ca 0.24 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 58.09 1jr5 h LEU 84 Cb 0.36 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.01 1jr5 h LEU 84 CO -0.42 0.00 -0.20 -0.08 -0.00 0.00 0.00 178.44 177.74 1jr5 h GLU 85 N 0.00 0.00 -1.16 0.17 4.81 -0.17 -0.71 114.58 117.52 1jr5 h GLU 85 Ca 0.02 0.00 0.33 0.00 -0.13 0.00 0.00 59.36 59.58 1jr5 h GLU 85 Cb 0.16 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 29.44 1jr5 h GLU 85 CO -0.00 0.41 0.76 0.52 -0.73 0.00 0.00 179.01 179.97 1jr5 h MET 86 N -1.00 0.24 0.05 1.92 2.86 -0.43 0.97 114.93 119.54 1jr5 h MET 86 Ca -0.03 -0.01 -0.31 0.00 -2.06 0.00 0.00 59.70 57.28 1jr5 h MET 86 Cb 0.51 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.08 1jr5 h MET 86 CO -0.02 0.16 -1.76 1.88 1.06 0.00 0.00 176.91 178.23 1jr5 h TYR 87 N 0.24 0.20 -2.08 -0.22 0.05 -1.54 -3.43 116.97 110.20 1jr5 h TYR 87 Ca 0.66 -0.15 -0.46 0.00 0.05 0.00 0.00 58.73 58.84 1jr5 h TYR 87 Cb 1.96 -0.01 -0.33 0.00 1.01 0.00 0.00 36.73 39.36 1jr5 h TYR 87 CO -0.00 1.29 -0.80 0.95 -1.05 0.00 0.00 178.16 178.55 1jr5 s THR 88 N -2.59 -0.10 -0.02 -2.88 -4.23 0.11 -4.76 115.64 101.18 1jr5 s THR 88 Ca -0.10 -1.72 0.06 0.00 -1.18 0.00 0.00 61.69 58.74 1jr5 s THR 88 Cb 0.07 -0.86 -0.03 0.00 1.34 0.00 0.00 72.50 73.02 1jr5 s THR 88 CO 0.81 -0.82 -0.20 0.54 -0.54 0.00 0.00 174.62 174.42 1jr5 s ASN 89 N 0.79 3.61 0.00 3.99 4.22 0.29 -3.92 114.94 123.92 1jr5 s ASN 89 Ca 0.25 -0.35 0.28 0.00 -2.14 0.00 0.00 52.86 50.89 1jr5 s ASN 89 Cb -0.08 -0.60 1.07 0.00 1.28 0.00 0.00 41.25 42.93 1jr5 s ASN 89 CO -0.08 0.32 1.76 0.29 -2.04 0.00 0.00 177.10 177.34