#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 3.15 -4.85 7.83 3.02 -1.26 -4.85 115.26 118.29 1jr5 n ASN 2 Ca 0.00 0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.34 1jr5 n ASN 2 Cb 0.00 0.96 -0.04 0.00 -0.61 0.00 0.00 39.78 40.09 1jr5 n ASN 2 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1jr5 s LYS 3 N -2.33 2.82 0.25 3.52 2.20 -1.26 -5.01 119.74 119.92 1jr5 s LYS 3 Ca -0.03 -1.19 -0.03 0.00 -0.36 0.00 0.00 55.97 54.35 1jr5 s LYS 3 Cb 0.03 -2.53 0.41 0.00 -1.51 0.00 0.00 37.83 34.23 1jr5 s LYS 3 CO 0.32 0.20 1.83 -0.91 -0.36 0.00 0.00 175.35 176.43 1jr5 h ASN 4 N 1.31 0.80 -1.72 1.43 4.21 -1.96 -2.30 115.58 117.35 1jr5 h ASN 4 Ca -0.46 0.04 0.53 0.00 1.21 0.00 0.00 56.30 57.61 1jr5 h ASN 4 Cb 1.25 -0.13 -0.10 0.00 -1.12 0.00 0.00 38.32 38.22 1jr5 h ASN 4 CO 0.59 0.47 1.20 0.00 -1.29 0.00 0.00 177.43 178.40 1jr5 n ILE 5 N -4.66 -0.10 0.07 2.81 3.06 -1.26 0.31 119.36 119.59 1jr5 n ILE 5 Ca 0.14 1.58 -0.04 0.00 -2.50 0.00 0.00 62.75 61.94 1jr5 n ILE 5 Cb 0.25 -2.62 -0.02 0.00 0.54 0.00 0.00 39.64 37.79 1jr5 n ILE 5 CO 0.00 0.00 0.00 0.44 -2.50 0.00 0.00 176.55 174.49 1jr5 h ASP 6 N 0.00 -0.20 -0.00 9.51 3.32 -1.82 -0.33 116.42 126.90 1jr5 h ASP 6 Ca 0.90 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.96 1jr5 h ASP 6 Cb 3.37 0.05 -0.00 0.00 0.22 0.00 0.00 39.33 42.97 1jr5 h ASP 6 CO -0.18 0.08 0.02 0.74 -1.72 0.00 0.00 179.24 178.18 1jr5 h THR 7 N -0.69 0.06 0.18 0.35 2.02 -1.34 -1.08 112.91 112.41 1jr5 h THR 7 Ca -0.02 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 1jr5 h THR 7 Cb 0.18 0.98 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 1jr5 h THR 7 CO 0.04 0.00 -0.09 0.58 0.37 0.00 0.00 175.52 176.42 1jr5 h VAL 8 N 0.00 0.00 -1.07 3.16 2.07 -0.20 0.21 116.25 120.43 1jr5 h VAL 8 Ca 0.00 -0.70 0.29 0.00 0.82 0.00 0.00 66.70 67.12 1jr5 h VAL 8 Cb 0.03 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 29.69 1jr5 h VAL 8 CO -0.00 0.00 0.67 0.03 0.02 0.00 0.00 177.57 178.29 1jr5 h ARG 9 N -0.93 0.37 0.08 1.57 3.08 -0.52 0.18 114.38 118.21 1jr5 h ARG 9 Ca -0.02 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 1jr5 h ARG 9 Cb 0.18 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.15 1jr5 h ARG 9 CO 0.04 0.24 -0.04 1.05 -1.07 0.00 0.00 179.97 180.19 1jr5 h GLU 10 N 0.38 -0.11 -0.58 0.04 4.11 -1.28 -1.82 114.58 115.32 1jr5 h GLU 10 Ca 0.65 0.01 0.12 0.00 0.07 0.00 0.00 59.36 60.20 1jr5 h GLU 10 Cb 1.62 0.02 -0.11 0.00 0.50 0.00 0.00 28.75 30.78 1jr5 h GLU 10 CO -0.38 0.43 -0.17 0.82 0.07 0.00 0.00 179.01 179.78 1jr5 h ILE 11 N -0.79 0.38 0.96 -1.06 2.04 0.11 0.33 117.51 119.48 1jr5 h ILE 11 Ca -0.01 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.80 1jr5 h ILE 11 Cb 0.59 0.38 0.01 0.00 -0.74 0.00 0.00 36.82 37.06 1jr5 h ILE 11 CO 0.02 0.00 -0.46 0.16 0.00 0.00 0.00 178.15 177.87 1jr5 h ILE 12 N -0.03 0.00 -0.23 -0.67 3.07 -0.82 -1.56 117.51 117.28 1jr5 h ILE 12 Ca 0.28 -0.04 0.03 0.00 1.55 0.00 0.00 64.86 66.67 1jr5 h ILE 12 Cb 0.45 0.00 -0.06 0.00 -0.27 0.00 0.00 36.82 36.94 1jr5 h ILE 12 CO -0.61 0.00 -0.43 0.74 -1.05 0.00 0.00 178.15 176.80 1jr5 h THR 13 N -1.34 0.00 -0.00 0.16 2.02 -0.67 0.74 112.91 113.82 1jr5 h THR 13 Ca -0.13 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.07 1jr5 h THR 13 Cb 0.99 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.35 1jr5 h THR 13 CO 0.22 0.00 -0.52 -0.37 0.37 0.00 0.00 175.52 175.22 1jr5 h VAL 14 N -0.38 0.00 -0.70 3.16 -1.51 -0.41 0.16 116.25 116.57 1jr5 h VAL 14 Ca 0.04 0.00 0.20 0.00 -1.23 0.00 0.00 66.70 65.71 1jr5 h VAL 14 Cb 0.49 0.00 -0.03 0.00 -2.13 0.00 0.00 31.29 29.63 1jr5 h VAL 14 CO -0.41 0.00 0.55 0.00 -1.23 0.00 0.00 177.57 176.48 1jr5 h ALA 15 N -0.47 2.58 -0.06 5.19 0.00 -1.06 0.86 119.26 126.31 1jr5 h ALA 15 Ca 0.01 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.70 1jr5 h ALA 15 Cb 0.69 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1jr5 h ALA 15 CO -0.35 -0.91 -0.79 0.66 0.00 0.00 0.00 179.25 177.86 1jr5 h SER 16 N 0.00 0.51 -0.86 0.00 4.64 0.14 -1.47 113.55 116.52 1jr5 h SER 16 Ca 0.33 -0.36 0.03 0.00 -0.47 0.00 0.00 61.79 61.33 1jr5 h SER 16 Cb 1.43 -0.15 -0.05 0.00 -0.31 0.00 0.00 62.40 63.32 1jr5 h SER 16 CO -0.00 1.12 0.55 0.40 -0.87 0.00 0.00 176.83 178.03 1jr5 h ILE 17 N 0.27 1.13 0.30 0.95 2.04 0.33 0.44 117.51 122.98 1jr5 h ILE 17 Ca -0.05 -0.37 -0.00 0.00 1.00 0.00 0.00 64.86 65.45 1jr5 h ILE 17 Cb 1.39 -0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 1jr5 h ILE 17 CO 0.14 0.20 -0.29 -0.07 0.00 0.00 0.00 178.15 178.12 1jr5 h LEU 18 N 1.08 -0.79 -1.95 1.44 3.38 -0.96 0.23 115.31 117.74 1jr5 h LEU 18 Ca 0.35 0.07 0.08 0.00 0.09 0.00 0.00 57.88 58.46 1jr5 h LEU 18 Cb 0.02 0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1jr5 h LEU 18 CO -0.12 -0.42 0.22 0.40 0.09 0.00 0.00 178.44 178.61 1jr5 h ILE 19 N -0.63 0.87 0.00 1.22 2.04 -0.34 1.07 117.51 121.75 1jr5 h ILE 19 Ca -0.01 -0.02 -0.17 0.00 1.00 0.00 0.00 64.86 65.65 1jr5 h ILE 19 Cb 0.57 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 1jr5 h ILE 19 CO -0.05 0.01 -0.82 0.50 0.00 0.00 0.00 178.15 177.79 1jr5 h LYS 20 N 0.05 0.04 -0.91 2.37 3.11 0.11 -2.98 116.57 118.36 1jr5 h LYS 20 Ca 0.15 -0.04 -0.20 0.00 -2.81 0.00 0.00 60.65 57.74 1jr5 h LYS 20 Cb 0.51 0.01 -0.12 0.00 -1.00 0.00 0.00 32.23 31.64 1jr5 h LYS 20 CO -0.01 0.83 0.25 1.19 -2.81 0.00 0.00 179.45 178.91 1jr5 n PHE 21 N -3.60 1.61 -2.94 1.91 3.72 0.71 -4.83 117.46 114.04 1jr5 n PHE 21 Ca -0.01 -0.99 -0.22 0.00 -0.05 0.00 0.00 57.45 56.18 1jr5 n PHE 21 Cb 0.78 -0.55 0.02 0.00 -0.94 0.00 0.00 39.48 38.79 1jr5 n PHE 21 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1jr5 n SER 22 N -0.18 -5.82 -1.38 4.37 2.88 -1.01 -4.87 113.62 107.61 1jr5 n SER 22 Ca 0.29 -0.24 -0.07 0.00 -1.33 0.00 0.00 58.87 57.52 1jr5 n SER 22 Cb 1.06 -4.73 0.21 0.00 -0.75 0.00 0.00 64.21 60.00 1jr5 n SER 22 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1jr5 n ARG 23 N -3.82 2.13 0.33 -1.46 5.12 0.35 -4.63 116.66 114.68 1jr5 n ARG 23 Ca -0.13 -3.11 0.17 0.00 -1.93 0.00 0.00 57.85 52.85 1jr5 n ARG 23 Cb 0.62 -1.91 0.91 0.00 -1.16 0.00 0.00 32.46 30.93 1jr5 n ARG 23 CO 0.00 0.00 0.00 1.49 -1.93 0.00 0.00 177.63 177.19 1jr5 h GLU 24 N 1.17 0.00 -0.41 5.56 4.81 -1.80 0.45 114.58 124.37 1jr5 h GLU 24 Ca 0.28 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.45 1jr5 h GLU 24 Cb 1.90 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 31.26 1jr5 h GLU 24 CO 0.52 0.00 -0.01 -0.44 -0.73 0.00 0.00 179.01 178.36 1jr5 h ASP 25 N 0.00 0.63 0.62 1.04 5.19 -1.93 0.80 116.42 122.76 1jr5 h ASP 25 Ca 0.00 -0.14 -0.27 0.00 -0.62 0.00 0.00 57.03 56.00 1jr5 h ASP 25 Cb 0.47 -0.17 0.01 0.00 0.18 0.00 0.00 39.33 39.82 1jr5 h ASP 25 CO 0.00 0.70 -1.24 0.40 -3.12 0.00 0.00 179.24 175.98 1jr5 h ILE 26 N 0.62 1.49 0.00 0.35 2.04 -0.48 -3.21 117.51 118.32 1jr5 h ILE 26 Ca 0.13 -3.04 0.00 0.00 1.00 0.00 0.00 64.86 62.94 1jr5 h ILE 26 Cb 0.40 2.94 0.00 0.00 -0.74 0.00 0.00 36.82 39.42 1jr5 h ILE 26 CO 0.02 0.89 0.00 0.58 0.00 0.00 0.00 178.15 179.64 1jr5 h VAL 27 N 0.08 0.00 -0.01 1.67 2.07 -0.88 -2.11 116.25 117.07 1jr5 h VAL 27 Ca -0.14 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 66.77 1jr5 h VAL 27 Cb 1.97 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 33.31 1jr5 h VAL 27 CO 0.21 0.00 -0.21 -0.62 0.02 0.00 0.00 177.57 176.97 1jr5 n GLU 28 N -2.69 1.03 -4.42 1.57 1.02 0.28 -4.80 120.64 112.63 1jr5 n GLU 28 Ca 0.04 -0.62 -0.20 0.00 -0.02 0.00 0.00 57.16 56.35 1jr5 n GLU 28 Cb 0.41 -1.49 -0.14 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 -2.39 1.58 0.08 1.62 2.47 -1.22 -4.65 114.94 112.43 1jr5 s ASN 29 Ca 0.27 -0.38 -0.26 0.00 0.42 0.00 0.00 52.86 52.91 1jr5 s ASN 29 Cb 0.20 -0.12 -0.16 0.00 -1.45 0.00 0.00 41.25 39.71 1jr5 s ASN 29 CO 0.48 0.07 1.70 0.03 -3.72 0.00 0.00 177.10 175.67 1jr5 h ARG 30 N 5.24 -0.29 -0.24 0.43 3.08 -1.87 0.11 114.38 120.84 1jr5 h ARG 30 Ca -0.36 0.02 0.03 0.00 0.07 0.00 0.00 59.98 59.74 1jr5 h ARG 30 Cb 1.18 0.07 -0.03 0.00 0.08 0.00 0.00 29.97 31.26 1jr5 h ARG 30 CO 0.46 -0.20 0.04 0.00 -1.07 0.00 0.00 179.97 179.20 1jr5 h ALA 31 N 0.47 0.24 -0.39 0.04 0.00 -1.96 0.39 119.26 118.05 1jr5 h ALA 31 Ca -0.03 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1jr5 h ALA 31 Cb 0.23 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1jr5 h ALA 31 CO 0.05 -0.38 0.11 -0.91 0.00 0.00 0.00 179.25 178.11 1jr5 h ASN 32 N 0.13 0.58 -0.21 0.00 2.35 -1.77 0.26 115.58 116.92 1jr5 h ASN 32 Ca 0.11 -0.22 0.02 0.00 -0.55 0.00 0.00 56.30 55.65 1jr5 h ASN 32 Cb 0.11 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 1jr5 h ASN 32 CO -0.15 0.65 0.08 0.15 -1.65 0.00 0.00 177.43 176.52 1jr5 h PHE 33 N 0.49 0.15 -0.07 1.19 3.04 -0.05 0.49 116.94 122.17 1jr5 h PHE 33 Ca 0.12 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.08 1jr5 h PHE 33 Cb 0.29 -0.04 -0.00 0.00 2.56 0.00 0.00 35.95 38.76 1jr5 h PHE 33 CO 0.01 0.08 0.02 0.82 -2.02 0.00 0.00 178.31 177.22 1jr5 h ILE 34 N 0.19 1.18 -0.99 1.41 2.04 -0.09 -1.60 117.51 119.65 1jr5 h ILE 34 Ca 0.09 -0.56 0.01 0.00 1.00 0.00 0.00 64.86 65.40 1jr5 h ILE 34 Cb 0.04 1.43 -0.05 0.00 -0.74 0.00 0.00 36.82 37.50 1jr5 h ILE 34 CO -0.08 0.16 0.66 0.00 0.00 0.00 0.00 178.15 178.89 1jr5 h ALA 35 N 0.81 1.30 0.43 1.87 0.00 -0.29 -0.76 119.26 122.63 1jr5 h ALA 35 Ca 0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1jr5 h ALA 35 Cb 0.23 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1jr5 h ALA 35 CO -0.00 0.64 -0.41 0.35 0.00 0.00 0.00 179.25 179.83 1jr5 h PHE 36 N 1.34 -1.13 -0.90 0.00 3.57 0.19 0.48 116.94 120.49 1jr5 h PHE 36 Ca 0.37 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.92 1jr5 h PHE 36 Cb -0.14 0.44 -0.06 0.00 2.79 0.00 0.00 35.95 38.99 1jr5 h PHE 36 CO -0.00 -0.58 0.59 -0.07 -2.23 0.00 0.00 178.31 176.02 1jr5 h LEU 37 N -0.86 0.93 0.00 0.59 3.38 -1.00 -1.64 115.31 116.71 1jr5 h LEU 37 Ca -0.04 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1jr5 h LEU 37 Cb 0.76 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1jr5 h LEU 37 CO -0.05 0.62 -0.31 -0.46 0.09 0.00 0.00 178.44 178.33 1jr5 n ASN 38 N -4.47 0.35 -0.06 -0.43 0.23 -0.32 -0.86 115.26 109.71 1jr5 n ASN 38 Ca 0.13 0.10 -0.20 0.00 -0.53 0.00 0.00 54.58 54.07 1jr5 n ASN 38 Cb 0.15 -0.08 -0.13 0.00 -2.08 0.00 0.00 39.78 37.64 1jr5 n ASN 38 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1jr5 n GLU 39 N -1.59 0.71 0.16 -3.83 0.28 0.17 -4.31 120.64 112.22 1jr5 n GLU 39 Ca 0.06 0.21 0.00 0.00 -0.16 0.00 0.00 57.16 57.27 1jr5 n GLU 39 Cb 0.35 -1.62 0.24 0.00 1.43 0.00 0.00 31.44 31.84 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 0.04 1.37 0.00 3.84 -2.65 -1.48 -3.47 117.51 115.16 1jr5 h ILE 40 Ca -0.50 -1.80 0.00 0.00 1.03 0.00 0.00 64.86 63.59 1jr5 h ILE 40 Cb 1.97 1.97 0.00 0.00 -2.05 0.00 0.00 36.82 38.72 1jr5 h ILE 40 CO 0.01 0.51 0.00 0.61 0.03 0.00 0.00 178.15 179.31 1jr5 n GLY 41 N -0.01 0.99 3.84 0.16 0.00 -1.23 -5.14 105.19 103.80 1jr5 n GLY 41 Ca -0.01 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 -1.93 5.21 0.24 1.61 1.01 -0.04 -5.06 120.40 121.45 1jr5 s VAL 42 Ca 0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 61.98 61.88 1jr5 s VAL 42 Cb 0.00 -3.31 -0.01 0.00 0.00 0.00 0.00 36.38 33.06 1jr5 s VAL 42 CO 0.00 0.53 0.39 0.42 0.00 0.00 0.00 175.10 176.43 1jr5 s THR 43 N -1.09 0.00 -0.02 3.92 -4.23 -1.26 -3.94 115.64 109.02 1jr5 s THR 43 Ca 0.18 -1.58 0.03 0.00 -1.18 0.00 0.00 61.69 59.14 1jr5 s THR 43 Cb -0.12 -2.32 0.04 0.00 1.34 0.00 0.00 72.50 71.45 1jr5 s THR 43 CO 0.08 0.00 0.84 1.57 -0.54 0.00 0.00 174.62 176.57 1jr5 n HIS 44 N -0.37 0.00 0.00 3.99 -0.00 -1.18 -4.66 115.22 113.00 1jr5 n HIS 44 Ca -0.00 -0.31 0.00 0.00 0.46 0.00 0.00 57.72 57.86 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 -0.38 0.00 -1.20 1.57 0.28 -1.26 -4.92 120.64 114.73 1jr5 n GLU 45 Ca 0.02 0.00 -0.07 0.00 -0.16 0.00 0.00 57.16 56.96 1jr5 n GLU 45 Cb 0.48 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.32 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 0.87 3.11 -1.84 0.00 -1.26 -4.98 105.19 101.09 1jr5 n GLY 46 Ca 0.00 -0.40 -0.12 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.26 0.23 0.00 1.61 1.81 -1.26 -5.08 118.95 114.00 1jr5 s ARG 47 Ca 0.00 0.74 0.00 0.00 -1.72 0.00 0.00 55.73 54.75 1jr5 s ARG 47 Cb 0.00 -0.00 0.00 0.00 -0.45 0.00 0.00 34.95 34.50 1jr5 s ARG 47 CO 0.00 -0.22 0.00 0.36 -0.68 0.00 0.00 175.30 174.76 1jr5 n LYS 48 N 4.84 2.49 -4.24 3.54 -0.00 -1.25 -3.08 118.16 120.45 1jr5 n LYS 48 Ca -0.15 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.02 1jr5 n LYS 48 Cb 0.52 0.00 -0.10 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 2.53 -0.01 -5.58 1.43 -1.26 -4.72 118.68 111.07 1jr5 s LEU 49 Ca 0.00 -1.01 0.00 0.00 -1.03 0.00 0.00 54.13 52.09 1jr5 s LEU 49 Cb 0.00 -0.32 -0.00 0.00 0.03 0.00 0.00 46.19 45.90 1jr5 s LEU 49 CO 0.00 -0.35 -0.01 0.59 0.23 0.00 0.00 176.35 176.82 1jr5 n ASN 50 N -0.18 3.54 0.00 2.29 3.02 -1.26 -4.66 115.26 118.00 1jr5 n ASN 50 Ca -0.10 -0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.44 1jr5 n ASN 50 Cb 0.61 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.76 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 -2.57 0.00 -0.06 3.52 1.13 -1.26 -4.86 117.38 113.28 1jr5 n GLN 51 Ca -0.01 0.00 -0.03 0.00 -1.94 0.00 0.00 57.00 55.02 1jr5 n GLN 51 Cb 0.51 0.00 -0.14 0.00 0.11 0.00 0.00 30.24 30.72 1jr5 n GLN 51 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 1jr5 n ASN 52 N 0.00 0.74 -0.23 1.08 0.23 -1.26 -4.55 115.26 111.27 1jr5 n ASN 52 Ca 0.00 0.00 -0.12 0.00 -0.53 0.00 0.00 54.58 53.93 1jr5 n ASN 52 Cb 0.00 1.20 -0.09 0.00 -2.08 0.00 0.00 39.78 38.81 1jr5 n ASN 52 CO 0.00 0.00 0.00 -1.28 -0.93 0.00 0.00 177.26 175.05 1jr5 h SER 53 N 0.00 -1.84 -0.05 0.53 0.87 -1.95 -1.20 113.55 109.92 1jr5 h SER 53 Ca -0.33 0.26 0.04 0.00 -1.23 0.00 0.00 61.79 60.52 1jr5 h SER 53 Cb 1.71 0.78 -0.05 0.00 -0.44 0.00 0.00 62.40 64.39 1jr5 h SER 53 CO 0.02 -0.31 -0.27 0.15 -0.53 0.00 0.00 176.83 175.88 1jr5 h PHE 54 N -0.22 -0.74 -1.02 2.24 3.57 -1.97 0.12 116.94 118.93 1jr5 h PHE 54 Ca 0.10 0.03 0.27 0.00 3.53 0.00 0.00 57.97 61.90 1jr5 h PHE 54 Cb 0.48 0.33 -0.13 0.00 2.79 0.00 0.00 35.95 39.43 1jr5 h PHE 54 CO -0.84 -0.36 0.60 0.00 -2.23 0.00 0.00 178.31 175.49 1jr5 h ARG 55 N -0.39 0.48 0.00 1.11 3.08 -1.60 0.89 114.38 117.95 1jr5 h ARG 55 Ca 0.08 -0.03 -0.15 0.00 0.07 0.00 0.00 59.98 59.95 1jr5 h ARG 55 Cb 0.50 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 1jr5 h ARG 55 CO -0.27 0.32 -0.73 0.87 -1.07 0.00 0.00 179.97 179.09 1jr5 h LYS 56 N 0.49 0.00 0.09 0.04 1.57 -0.35 -0.34 116.57 118.07 1jr5 h LYS 56 Ca 0.66 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 59.46 1jr5 h LYS 56 Cb 1.39 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.68 1jr5 h LYS 56 CO -0.48 0.73 -0.15 0.97 -0.57 0.00 0.00 179.45 179.95 1jr5 h ILE 57 N 0.00 0.66 -0.18 1.86 2.10 0.34 -1.52 117.51 120.78 1jr5 h ILE 57 Ca -0.01 0.00 -0.19 0.00 1.08 0.00 0.00 64.86 65.75 1jr5 h ILE 57 Cb 1.48 0.66 0.01 0.00 -1.09 0.00 0.00 36.82 37.87 1jr5 h ILE 57 CO 0.09 0.00 -0.61 -0.37 -1.08 0.00 0.00 178.15 176.18 1jr5 h VAL 58 N -0.29 1.30 -0.58 2.19 -1.51 -1.20 -2.18 116.25 113.98 1jr5 h VAL 58 Ca 0.02 -1.84 0.17 0.00 -1.23 0.00 0.00 66.70 63.82 1jr5 h VAL 58 Cb 0.31 1.94 -0.02 0.00 -2.13 0.00 0.00 31.29 31.38 1jr5 h VAL 58 CO -0.08 0.58 0.54 -1.28 -1.23 0.00 0.00 177.57 176.09 1jr5 h SER 59 N 0.44 0.00 -0.01 4.19 0.87 -0.77 0.37 113.55 118.64 1jr5 h SER 59 Ca -0.03 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 1jr5 h SER 59 Cb 1.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 1jr5 h SER 59 CO 0.13 0.00 -0.36 -1.84 -0.53 0.00 0.00 176.83 174.23 1jr5 n GLU 60 N -3.88 1.75 -3.30 2.24 0.28 -0.60 -4.93 120.64 112.20 1jr5 n GLU 60 Ca 0.11 -0.72 -0.38 0.00 -0.16 0.00 0.00 57.16 56.01 1jr5 n GLU 60 Cb 0.76 -1.25 -0.06 0.00 1.43 0.00 0.00 31.44 32.32 1jr5 n GLU 60 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 1jr5 s LEU 61 N -2.06 4.38 0.46 -1.84 0.20 0.13 -5.07 118.68 114.87 1jr5 s LEU 61 Ca 0.12 1.00 0.06 0.00 0.69 0.00 0.00 54.13 56.01 1jr5 s LEU 61 Cb 0.12 -2.78 -0.02 0.00 -0.43 0.00 0.00 46.19 43.08 1jr5 s LEU 61 CO 0.41 0.11 0.25 0.28 -0.29 0.00 0.00 176.35 177.11 1jr5 s THR 62 N -0.07 2.04 0.17 3.68 -1.32 -1.26 -4.87 115.64 114.01 1jr5 s THR 62 Ca 0.28 -1.63 0.30 0.00 -1.21 0.00 0.00 61.69 59.43 1jr5 s THR 62 Cb -0.17 -2.67 0.30 0.00 -1.51 0.00 0.00 72.50 68.45 1jr5 s THR 62 CO 0.14 0.00 1.90 0.06 -2.21 0.00 0.00 174.62 174.51 1jr5 h GLN 63 N 1.18 0.00 0.09 7.08 3.07 -1.97 -1.05 115.11 123.50 1jr5 h GLN 63 Ca -0.41 0.00 -0.28 0.00 0.09 0.00 0.00 58.65 58.05 1jr5 h GLN 63 Cb 1.27 0.00 0.02 0.00 0.08 0.00 0.00 27.48 28.85 1jr5 h GLN 63 CO 0.65 0.00 -1.18 1.49 0.09 0.00 0.00 178.83 179.89 1jr5 h GLU 64 N 0.00 0.54 -0.45 0.06 4.57 -1.99 -1.29 114.58 116.02 1jr5 h GLU 64 Ca 0.00 -0.70 -0.03 0.00 -1.18 0.00 0.00 59.36 57.46 1jr5 h GLU 64 Cb 0.09 0.23 -0.02 0.00 -0.16 0.00 0.00 28.75 28.88 1jr5 h GLU 64 CO 0.00 1.30 0.17 0.22 -1.18 0.00 0.00 179.01 179.52 1jr5 h ASP 65 N 0.25 0.59 0.78 1.04 1.82 -1.58 -0.78 116.42 118.53 1jr5 h ASP 65 Ca -0.16 -0.07 -0.04 0.00 -0.39 0.00 0.00 57.03 56.38 1jr5 h ASP 65 Cb 1.85 -0.15 0.01 0.00 0.68 0.00 0.00 39.33 41.71 1jr5 h ASP 65 CO 0.22 0.54 -0.37 0.50 -1.61 0.00 0.00 179.24 178.51 1jr5 h LYS 66 N 0.64 -1.01 -0.95 0.28 3.64 -1.40 -0.11 116.57 117.65 1jr5 h LYS 66 Ca 0.16 0.07 0.28 0.00 -1.27 0.00 0.00 60.65 59.88 1jr5 h LYS 66 Cb 0.14 0.23 -0.14 0.00 -0.41 0.00 0.00 32.23 32.05 1jr5 h LYS 66 CO -0.01 -0.67 0.45 0.87 -2.27 0.00 0.00 179.45 177.81 1jr5 h LYS 67 N -1.14 0.31 -0.20 1.90 1.57 -0.84 1.05 116.57 119.23 1jr5 h LYS 67 Ca -0.11 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.56 1jr5 h LYS 67 Cb 0.80 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 1jr5 h LYS 67 CO 0.18 0.20 -0.29 1.15 -0.57 0.00 0.00 179.45 180.12 1jr5 h THR 68 N 0.32 1.27 0.00 -0.16 2.02 -0.95 0.32 112.91 115.72 1jr5 h THR 68 Ca 0.65 -1.30 -0.03 0.00 0.77 0.00 0.00 66.41 66.51 1jr5 h THR 68 Cb 1.40 1.44 -0.00 0.00 -1.74 0.00 0.00 68.15 69.24 1jr5 h THR 68 CO -0.60 0.40 -0.14 0.25 0.37 0.00 0.00 175.52 175.80 1jr5 h LEU 69 N 0.33 0.00 0.00 2.58 7.12 0.28 -3.07 115.31 122.55 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 0.69 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.79 1jr5 h LEU 69 CO 0.05 0.14 -1.04 0.40 -0.13 0.00 0.00 178.44 177.86 1jr5 h ILE 70 N 0.00 1.66 -1.29 4.05 2.04 0.98 0.11 117.51 125.07 1jr5 h ILE 70 Ca -0.00 -3.31 0.37 0.00 1.00 0.00 0.00 64.86 62.92 1jr5 h ILE 70 Cb 1.05 2.85 -0.07 0.00 -0.74 0.00 0.00 36.82 39.90 1jr5 h ILE 70 CO 0.02 0.95 0.89 -0.78 0.00 0.00 0.00 178.15 179.23 1jr5 h ASP 71 N 0.02 0.13 0.00 1.72 3.58 -0.87 0.88 116.42 121.88 1jr5 h ASP 71 Ca -0.04 0.04 -0.21 0.00 0.42 0.00 0.00 57.03 57.24 1jr5 h ASP 71 Cb 1.79 0.02 -0.04 0.00 1.72 0.00 0.00 39.33 42.82 1jr5 h ASP 71 CO 0.14 -0.01 -1.78 -0.62 -2.88 0.00 0.00 179.24 174.09 1jr5 n GLU 72 N -4.31 0.92 -1.92 0.28 1.02 -1.22 -4.60 120.64 110.80 1jr5 n GLU 72 Ca 0.30 0.05 -0.40 0.00 -0.02 0.00 0.00 57.16 57.10 1jr5 n GLU 72 Cb 1.30 -1.28 0.04 0.00 -0.02 0.00 0.00 31.44 31.48 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 -2.76 2.94 0.00 -0.32 3.01 0.39 -4.91 117.46 115.82 1jr5 n PHE 73 Ca -0.23 -2.31 0.00 0.00 1.01 0.00 0.00 57.45 55.92 1jr5 n PHE 73 Cb 0.79 -1.20 0.00 0.00 -0.01 0.00 0.00 39.48 39.07 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 -0.49 0.00 -1.39 4.37 3.02 0.30 -3.74 115.26 117.32 1jr5 n ASN 74 Ca 0.54 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 55.17 1jr5 n ASN 74 Cb 0.24 0.00 0.32 0.00 -0.61 0.00 0.00 39.78 39.73 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 3.68 -0.62 3.52 -0.00 -1.26 -4.39 120.64 121.57 1jr5 n GLU 75 Ca 0.00 -2.83 0.09 0.00 -0.00 0.00 0.00 57.16 54.41 1jr5 n GLU 75 Cb 0.00 -1.87 0.34 0.00 -0.00 0.00 0.00 31.44 29.91 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 0.64 2.97 0.00 -1.84 0.00 -1.25 -4.35 105.19 101.36 1jr5 n GLY 76 Ca 0.24 -0.86 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 0.78 0.00 1.01 1.61 -1.74 -1.25 -4.81 117.46 113.06 1jr5 n PHE 77 Ca 0.25 -0.03 0.09 0.00 -0.56 0.00 0.00 57.45 57.20 1jr5 n PHE 77 Cb 0.92 -0.00 0.51 0.00 1.52 0.00 0.00 39.48 42.43 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 -0.03 0.39 -0.15 3.97 4.07 -1.26 -1.83 120.64 125.80 1jr5 n GLU 78 Ca 0.00 0.07 0.04 0.00 -0.06 0.00 0.00 57.16 57.21 1jr5 n GLU 78 Cb 0.27 -1.50 0.05 0.00 -0.06 0.00 0.00 31.44 30.21 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 0.29 2.28 0.76 8.31 0.00 -1.26 -4.38 105.19 111.19 1jr5 n GLY 79 Ca 0.11 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.67 0.00 0.11 1.61 3.14 -1.07 -3.99 118.33 117.46 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 0.55 -0.84 0.10 0.00 -1.06 0.00 0.00 33.84 32.59 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 0.06 0.21 1.45 3.20 -1.66 0.17 116.97 120.39 1jr5 h TYR 81 Ca 0.00 -0.03 -0.35 0.00 3.14 0.00 0.00 58.73 61.50 1jr5 h TYR 81 Cb 0.70 -0.01 0.02 0.00 1.54 0.00 0.00 36.73 38.98 1jr5 h TYR 81 CO 0.00 0.73 -1.67 0.00 -1.64 0.00 0.00 178.16 175.58 1jr5 h ARG 82 N 0.03 0.45 -0.29 1.82 2.47 -1.76 -3.26 114.38 113.83 1jr5 h ARG 82 Ca -0.01 -0.76 -0.07 0.00 -1.26 0.00 0.00 59.98 57.87 1jr5 h ARG 82 Cb 1.25 0.28 -0.02 0.00 -1.65 0.00 0.00 29.97 29.84 1jr5 h ARG 82 CO 0.09 1.37 -0.12 1.88 0.56 0.00 0.00 179.97 183.75 1jr5 h TYR 83 N 0.12 0.52 -0.22 3.04 -1.99 -1.67 0.85 116.97 117.62 1jr5 h TYR 83 Ca -0.32 -0.08 -0.02 0.00 2.00 0.00 0.00 58.73 60.31 1jr5 h TYR 83 Cb 2.13 -0.14 -0.01 0.00 2.00 0.00 0.00 36.73 40.70 1jr5 h TYR 83 CO 0.11 0.60 0.06 1.25 -0.00 0.00 0.00 178.16 180.18 1jr5 h LEU 84 N 0.45 0.28 0.12 3.88 7.12 -0.76 -2.81 115.31 123.59 1jr5 h LEU 84 Ca 0.08 -0.03 -0.36 0.00 0.13 0.00 0.00 57.88 57.71 1jr5 h LEU 84 Cb 0.49 -0.07 -0.02 0.00 -0.53 0.00 0.00 40.66 40.53 1jr5 h LEU 84 CO 0.03 0.29 -1.96 -0.62 -0.13 0.00 0.00 178.44 176.04 1jr5 n GLU 85 N -4.41 0.75 -0.29 1.25 1.02 -0.60 -2.93 120.64 115.43 1jr5 n GLU 85 Ca 0.00 0.27 0.08 0.00 -0.02 0.00 0.00 57.16 57.49 1jr5 n GLU 85 Cb 0.14 -1.72 0.20 0.00 -0.02 0.00 0.00 31.44 30.05 1jr5 n GLU 85 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 1jr5 h MET 86 N 0.07 0.07 0.00 3.49 2.86 0.94 0.11 114.93 122.47 1jr5 h MET 86 Ca -0.41 -0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.07 1jr5 h MET 86 Cb 2.04 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 33.65 1jr5 h MET 86 CO 0.09 0.05 -1.36 1.88 1.06 0.00 0.00 176.91 178.63 1jr5 h TYR 87 N 0.07 0.00 -1.90 -0.22 0.05 -1.70 -3.43 116.97 109.84 1jr5 h TYR 87 Ca 0.48 0.00 -0.36 0.00 0.05 0.00 0.00 58.73 58.90 1jr5 h TYR 87 Cb 0.90 0.00 -0.30 0.00 1.01 0.00 0.00 36.73 38.33 1jr5 h TYR 87 CO -0.47 0.54 -0.68 0.95 -1.05 0.00 0.00 178.16 177.44 1jr5 s THR 88 N -2.96 -0.35 0.03 -2.88 -4.23 0.15 -4.78 115.64 100.63 1jr5 s THR 88 Ca -0.03 -1.01 0.07 0.00 -1.18 0.00 0.00 61.69 59.54 1jr5 s THR 88 Cb 0.09 -0.64 -0.03 0.00 1.34 0.00 0.00 72.50 73.26 1jr5 s THR 88 CO 0.81 -0.57 -0.18 0.21 -0.54 0.00 0.00 174.62 174.34 1jr5 s ASN 89 N 1.37 3.77 0.00 3.99 2.47 0.16 -3.95 114.94 122.75 1jr5 s ASN 89 Ca 0.18 -0.41 0.23 0.00 0.42 0.00 0.00 52.86 53.27 1jr5 s ASN 89 Cb -0.14 -0.61 0.18 0.00 -1.45 0.00 0.00 41.25 39.22 1jr5 s ASN 89 CO -0.03 0.27 1.22 0.29 -3.72 0.00 0.00 177.10 175.12