#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 4.39 -4.91 7.83 5.15 -1.26 -4.82 115.26 121.63 1jr5 n ASN 2 Ca 0.00 0.00 -0.27 0.00 -0.60 0.00 0.00 54.58 53.71 1jr5 n ASN 2 Cb 0.00 0.98 0.04 0.00 -0.53 0.00 0.00 39.78 40.27 1jr5 n ASN 2 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1jr5 s LYS 3 N -2.15 2.82 0.28 1.20 2.20 -1.26 -4.97 119.74 117.85 1jr5 s LYS 3 Ca -0.01 0.04 -0.01 0.00 -0.36 0.00 0.00 55.97 55.63 1jr5 s LYS 3 Cb 0.01 -2.22 0.46 0.00 -1.51 0.00 0.00 37.83 34.57 1jr5 s LYS 3 CO 0.11 -0.82 1.88 -0.91 -0.36 0.00 0.00 175.35 175.25 1jr5 h ASN 4 N -0.31 1.00 -1.36 1.43 2.35 -1.92 -2.25 115.58 114.52 1jr5 h ASN 4 Ca -0.45 0.02 0.44 0.00 -0.55 0.00 0.00 56.30 55.76 1jr5 h ASN 4 Cb 1.26 -0.20 -0.13 0.00 0.05 0.00 0.00 38.32 39.31 1jr5 h ASN 4 CO 0.61 0.62 0.88 -0.29 -1.65 0.00 0.00 177.43 177.60 1jr5 h ILE 5 N 1.12 0.11 0.09 2.81 2.10 -1.93 0.52 117.51 122.33 1jr5 h ILE 5 Ca 0.44 -0.02 -0.00 0.00 1.08 0.00 0.00 64.86 66.35 1jr5 h ILE 5 Cb 0.24 0.03 0.00 0.00 -1.09 0.00 0.00 36.82 36.00 1jr5 h ILE 5 CO -0.19 0.01 -0.04 0.44 -1.08 0.00 0.00 178.15 177.30 1jr5 h ASP 6 N 0.07 -0.10 0.21 2.19 3.32 -1.78 0.26 116.42 120.59 1jr5 h ASP 6 Ca 0.83 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.88 1jr5 h ASP 6 Cb 2.66 0.03 0.00 0.00 0.22 0.00 0.00 39.33 42.23 1jr5 h ASP 6 CO -0.40 -0.04 0.00 0.74 -1.72 0.00 0.00 179.24 177.82 1jr5 h THR 7 N -0.17 0.00 0.00 0.35 2.02 -1.56 -1.28 112.91 112.27 1jr5 h THR 7 Ca -0.01 -0.08 -0.00 0.00 0.77 0.00 0.00 66.41 67.09 1jr5 h THR 7 Cb 0.09 0.73 -0.00 0.00 -1.74 0.00 0.00 68.15 67.22 1jr5 h THR 7 CO 0.02 0.00 -0.03 0.58 0.37 0.00 0.00 175.52 176.45 1jr5 h VAL 8 N 0.00 0.02 -1.04 3.16 2.07 0.03 0.44 116.25 120.94 1jr5 h VAL 8 Ca 0.00 -1.02 0.27 0.00 0.82 0.00 0.00 66.70 66.77 1jr5 h VAL 8 Cb 0.10 0.05 -0.10 0.00 -1.52 0.00 0.00 31.29 29.82 1jr5 h VAL 8 CO 0.00 0.01 0.66 0.08 0.02 0.00 0.00 177.57 178.34 1jr5 h ARG 9 N -1.00 0.40 0.16 1.57 -0.00 -0.11 0.35 114.38 115.75 1jr5 h ARG 9 Ca -0.00 -0.02 -0.01 0.00 -0.00 0.00 0.00 59.98 59.95 1jr5 h ARG 9 Cb 0.05 -0.09 0.00 0.00 -0.00 0.00 0.00 29.97 29.93 1jr5 h ARG 9 CO -0.00 0.27 -0.07 1.05 -0.00 0.00 0.00 179.97 181.21 1jr5 h GLU 10 N 0.41 -0.20 -0.67 0.08 4.11 -1.34 -2.11 114.58 114.86 1jr5 h GLU 10 Ca 0.61 0.01 0.14 0.00 0.07 0.00 0.00 59.36 60.19 1jr5 h GLU 10 Cb 1.49 0.05 -0.12 0.00 0.50 0.00 0.00 28.75 30.67 1jr5 h GLU 10 CO -0.32 0.23 -0.03 0.82 0.07 0.00 0.00 179.01 179.77 1jr5 h ILE 11 N -0.88 0.41 0.78 -1.06 2.04 0.89 0.32 117.51 120.01 1jr5 h ILE 11 Ca -0.02 -0.03 -0.04 0.00 1.00 0.00 0.00 64.86 65.77 1jr5 h ILE 11 Cb 0.52 0.31 0.01 0.00 -0.74 0.00 0.00 36.82 36.92 1jr5 h ILE 11 CO 0.04 0.02 -0.37 0.16 0.00 0.00 0.00 178.15 177.99 1jr5 h ILE 12 N 0.09 0.00 -0.12 -0.67 3.07 -0.46 -1.63 117.51 117.79 1jr5 h ILE 12 Ca 0.35 -0.01 0.03 0.00 1.55 0.00 0.00 64.86 66.77 1jr5 h ILE 12 Cb 0.58 0.00 -0.06 0.00 -0.27 0.00 0.00 36.82 37.07 1jr5 h ILE 12 CO -0.61 0.00 -0.52 0.74 -1.05 0.00 0.00 178.15 176.72 1jr5 h THR 13 N -1.06 0.00 -0.08 0.16 2.02 -0.74 0.34 112.91 113.55 1jr5 h THR 13 Ca -0.11 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.09 1jr5 h THR 13 Cb 0.80 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.18 1jr5 h THR 13 CO 0.18 0.00 -0.24 -0.37 0.37 0.00 0.00 175.52 175.46 1jr5 h VAL 14 N -0.56 0.00 -0.89 3.16 -1.51 -0.41 0.32 116.25 116.35 1jr5 h VAL 14 Ca 0.03 0.00 0.26 0.00 -1.23 0.00 0.00 66.70 65.76 1jr5 h VAL 14 Cb 0.65 0.00 -0.04 0.00 -2.13 0.00 0.00 31.29 29.77 1jr5 h VAL 14 CO -0.41 0.00 0.70 0.00 -1.23 0.00 0.00 177.57 176.63 1jr5 h ALA 15 N -0.91 2.79 -0.10 5.19 0.00 -1.19 1.03 119.26 126.06 1jr5 h ALA 15 Ca 0.02 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.70 1jr5 h ALA 15 Cb 0.29 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1jr5 h ALA 15 CO -0.20 -1.16 -0.75 0.66 0.00 0.00 0.00 179.25 177.80 1jr5 h SER 16 N 0.00 0.64 -0.79 0.00 4.64 0.14 -1.31 113.55 116.88 1jr5 h SER 16 Ca 0.42 -0.42 0.10 0.00 -0.47 0.00 0.00 61.79 61.42 1jr5 h SER 16 Cb 1.82 -0.19 -0.07 0.00 -0.31 0.00 0.00 62.40 63.65 1jr5 h SER 16 CO -0.00 1.18 0.43 0.40 -0.87 0.00 0.00 176.83 177.96 1jr5 h ILE 17 N 0.37 0.87 0.47 0.95 2.04 0.47 0.46 117.51 123.13 1jr5 h ILE 17 Ca -0.04 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.56 1jr5 h ILE 17 Cb 1.34 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.52 1jr5 h ILE 17 CO 0.14 0.13 -0.23 -0.07 0.00 0.00 0.00 178.15 178.12 1jr5 h LEU 18 N 0.71 -0.54 -2.02 1.44 3.38 -1.05 0.25 115.31 117.48 1jr5 h LEU 18 Ca 0.39 0.02 0.12 0.00 0.09 0.00 0.00 57.88 58.50 1jr5 h LEU 18 Cb 0.40 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 1jr5 h LEU 18 CO -0.27 -0.38 0.32 -0.29 0.09 0.00 0.00 178.44 177.91 1jr5 h ILE 19 N -0.63 0.73 0.02 1.22 2.10 -0.05 1.05 117.51 121.95 1jr5 h ILE 19 Ca -0.06 0.00 -0.21 0.00 1.08 0.00 0.00 64.86 65.67 1jr5 h ILE 19 Cb 0.48 0.77 -0.01 0.00 -1.09 0.00 0.00 36.82 36.98 1jr5 h ILE 19 CO 0.10 0.00 -0.94 0.50 -1.08 0.00 0.00 178.15 176.73 1jr5 h LYS 20 N 0.00 0.18 -0.69 2.19 3.11 0.77 -2.95 116.57 119.18 1jr5 h LYS 20 Ca 0.20 -0.22 0.00 0.00 -2.81 0.00 0.00 60.65 57.82 1jr5 h LYS 20 Cb 0.84 0.07 0.00 0.00 -1.00 0.00 0.00 32.23 32.14 1jr5 h LYS 20 CO -0.00 1.00 0.00 1.19 -2.81 0.00 0.00 179.45 178.82 1jr5 n PHE 21 N -3.60 0.89 -3.07 1.91 3.72 0.15 -4.87 117.46 112.60 1jr5 n PHE 21 Ca -0.04 -0.33 -0.15 0.00 -0.05 0.00 0.00 57.45 56.89 1jr5 n PHE 21 Cb 0.85 -0.23 0.04 0.00 -0.94 0.00 0.00 39.48 39.21 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 0.37 -4.65 -1.09 4.37 2.88 -0.27 -4.94 113.62 110.28 1jr5 n SER 22 Ca 0.13 -0.29 -0.03 0.00 -1.33 0.00 0.00 58.87 57.35 1jr5 n SER 22 Cb 0.62 -3.31 0.20 0.00 -0.75 0.00 0.00 64.21 60.97 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 -3.17 1.85 0.28 -1.46 3.00 0.31 -4.68 116.66 112.80 1jr5 n ARG 23 Ca -0.01 -3.18 0.17 0.00 -0.01 0.00 0.00 57.85 54.82 1jr5 n ARG 23 Cb 0.55 -1.80 0.86 0.00 0.00 0.00 0.00 32.46 32.07 1jr5 n ARG 23 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1jr5 h GLU 24 N 1.02 0.00 -0.36 5.56 3.07 -1.82 0.47 114.58 122.53 1jr5 h GLU 24 Ca 0.19 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.99 1jr5 h GLU 24 Cb 1.59 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.48 1jr5 h GLU 24 CO 0.34 0.00 -0.03 0.22 -1.40 0.00 0.00 179.01 178.15 1jr5 h ASP 25 N 0.00 0.54 0.41 1.42 3.58 -1.95 0.68 116.42 121.09 1jr5 h ASP 25 Ca 0.04 -0.11 -0.31 0.00 0.42 0.00 0.00 57.03 57.07 1jr5 h ASP 25 Cb 0.64 -0.14 0.02 0.00 1.72 0.00 0.00 39.33 41.57 1jr5 h ASP 25 CO -0.00 0.63 -1.36 0.40 -2.88 0.00 0.00 179.24 176.03 1jr5 h ILE 26 N 0.54 1.37 0.00 2.25 2.04 -0.44 -3.23 117.51 120.05 1jr5 h ILE 26 Ca 0.11 -2.83 0.00 0.00 1.00 0.00 0.00 64.86 63.14 1jr5 h ILE 26 Cb 0.39 2.97 0.00 0.00 -0.74 0.00 0.00 36.82 39.44 1jr5 h ILE 26 CO 0.02 0.84 0.00 0.58 0.00 0.00 0.00 178.15 179.58 1jr5 h VAL 27 N 0.13 0.00 -0.01 1.67 2.07 -0.94 -2.55 116.25 116.62 1jr5 h VAL 27 Ca -0.20 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 66.75 1jr5 h VAL 27 Cb 2.06 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 33.36 1jr5 h VAL 27 CO 0.24 0.00 -0.24 -0.62 0.02 0.00 0.00 177.57 176.97 1jr5 n GLU 28 N -2.84 0.93 -4.45 1.57 1.02 0.23 -4.75 120.64 112.35 1jr5 n GLU 28 Ca 0.02 -0.56 -0.20 0.00 -0.02 0.00 0.00 57.16 56.40 1jr5 n GLU 28 Cb 0.36 -1.49 -0.14 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 -2.45 1.56 0.10 1.62 3.84 -1.18 -4.67 114.94 113.75 1jr5 s ASN 29 Ca 0.25 -0.35 -0.20 0.00 0.21 0.00 0.00 52.86 52.78 1jr5 s ASN 29 Cb 0.19 -0.13 -0.09 0.00 -0.55 0.00 0.00 41.25 40.67 1jr5 s ASN 29 CO 0.50 0.09 1.68 0.03 -2.79 0.00 0.00 177.10 176.61 1jr5 h ARG 30 N 5.36 0.26 0.10 0.43 -0.00 -1.89 -0.98 114.38 117.66 1jr5 h ARG 30 Ca -0.36 -0.04 0.02 0.00 -0.50 0.00 0.00 59.98 59.10 1jr5 h ARG 30 Cb 1.17 -0.05 -0.03 0.00 0.00 0.00 0.00 29.97 31.07 1jr5 h ARG 30 CO 0.46 0.28 -0.19 0.00 0.00 0.00 0.00 179.97 180.52 1jr5 h ALA 31 N 0.97 -0.32 -0.17 0.04 0.00 -1.96 0.33 119.26 118.14 1jr5 h ALA 31 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1jr5 h ALA 31 Cb 0.10 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1jr5 h ALA 31 CO -0.01 -0.72 0.11 -0.91 0.00 0.00 0.00 179.25 177.73 1jr5 h ASN 32 N -0.37 0.20 -0.39 0.00 2.35 -1.78 0.14 115.58 115.74 1jr5 h ASN 32 Ca 0.03 -0.02 0.05 0.00 -0.55 0.00 0.00 56.30 55.80 1jr5 h ASN 32 Cb 0.39 -0.05 -0.04 0.00 0.05 0.00 0.00 38.32 38.66 1jr5 h ASN 32 CO -0.11 0.16 0.13 0.15 -1.65 0.00 0.00 177.43 176.11 1jr5 h PHE 33 N 0.23 0.23 0.16 1.19 3.04 -0.74 0.42 116.94 121.48 1jr5 h PHE 33 Ca 0.06 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.03 1jr5 h PHE 33 Cb -0.01 -0.05 0.00 0.00 2.56 0.00 0.00 35.95 38.45 1jr5 h PHE 33 CO -0.06 0.09 -0.08 0.82 -2.02 0.00 0.00 178.31 177.06 1jr5 h ILE 34 N 0.29 0.89 -0.88 1.41 2.04 -0.08 -1.59 117.51 119.59 1jr5 h ILE 34 Ca 0.18 -0.22 0.07 0.00 1.00 0.00 0.00 64.86 65.89 1jr5 h ILE 34 Cb 0.16 1.03 -0.06 0.00 -0.74 0.00 0.00 36.82 37.21 1jr5 h ILE 34 CO -0.19 0.05 0.54 0.00 0.00 0.00 0.00 178.15 178.56 1jr5 h ALA 35 N 0.50 1.22 0.23 1.87 0.00 -0.40 0.44 119.26 123.13 1jr5 h ALA 35 Ca -0.02 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1jr5 h ALA 35 Cb 0.25 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1jr5 h ALA 35 CO 0.04 0.27 -0.39 0.35 0.00 0.00 0.00 179.25 179.52 1jr5 h PHE 36 N 0.97 -1.09 -0.07 0.00 3.57 0.13 0.54 116.94 121.00 1jr5 h PHE 36 Ca 0.39 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.92 1jr5 h PHE 36 Cb 0.21 0.44 -0.00 0.00 2.79 0.00 0.00 35.95 39.39 1jr5 h PHE 36 CO -0.03 -0.52 0.05 -0.07 -2.23 0.00 0.00 178.31 175.51 1jr5 h LEU 37 N -0.70 0.03 0.00 0.59 3.38 -0.81 -0.79 115.31 117.00 1jr5 h LEU 37 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1jr5 h LEU 37 Cb 0.68 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1jr5 h LEU 37 CO -0.16 0.02 -0.19 -1.13 0.09 0.00 0.00 178.44 177.08 1jr5 h ASN 38 N 0.03 0.00 0.00 -0.43 -1.24 0.54 -1.22 115.58 113.27 1jr5 h ASN 38 Ca 0.03 -0.04 -0.45 0.00 0.71 0.00 0.00 56.30 56.55 1jr5 h ASN 38 Cb 0.08 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 39.07 1jr5 h ASN 38 CO -0.00 0.02 -2.50 -1.84 -1.29 0.00 0.00 177.43 171.81 1jr5 n GLU 39 N -2.48 0.57 0.15 6.67 0.28 0.17 -4.51 120.64 121.49 1jr5 n GLU 39 Ca 0.04 0.25 0.04 0.00 -0.16 0.00 0.00 57.16 57.33 1jr5 n GLU 39 Cb 0.47 -1.46 0.47 0.00 1.43 0.00 0.00 31.44 32.35 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 -0.91 1.11 0.00 3.84 -2.65 -1.46 -3.46 117.51 113.98 1jr5 h ILE 40 Ca -0.68 -0.46 0.00 0.00 1.03 0.00 0.00 64.86 64.75 1jr5 h ILE 40 Cb 1.61 1.05 0.00 0.00 -2.05 0.00 0.00 36.82 37.44 1jr5 h ILE 40 CO -0.40 0.15 0.00 0.61 0.03 0.00 0.00 178.15 178.54 1jr5 n GLY 41 N -1.17 0.94 3.82 0.16 0.00 -1.24 -5.13 105.19 102.58 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 -1.24 5.24 0.21 1.61 1.01 -0.46 -5.05 120.40 121.72 1jr5 s VAL 42 Ca 0.00 0.11 -0.00 0.00 0.00 0.00 0.00 61.98 62.09 1jr5 s VAL 42 Cb 0.00 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 1jr5 s VAL 42 CO 0.00 0.59 0.12 0.42 0.00 0.00 0.00 175.10 176.23 1jr5 s THR 43 N -0.81 0.13 -0.01 3.92 -4.23 -1.26 -3.98 115.64 109.41 1jr5 s THR 43 Ca 0.13 -1.99 0.01 0.00 -1.18 0.00 0.00 61.69 58.66 1jr5 s THR 43 Cb -0.12 -2.49 0.02 0.00 1.34 0.00 0.00 72.50 71.25 1jr5 s THR 43 CO 0.03 -0.04 0.78 1.57 -0.54 0.00 0.00 174.62 176.42 1jr5 n HIS 44 N -0.30 0.00 0.00 3.99 -0.00 -1.12 -4.57 115.22 113.22 1jr5 n HIS 44 Ca 0.01 -0.26 0.00 0.00 0.46 0.00 0.00 57.72 57.93 1jr5 n HIS 44 Cb 0.66 -0.03 0.00 0.00 -0.12 0.00 0.00 29.99 30.50 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 -0.29 0.00 -1.00 1.57 0.28 -1.26 -4.90 120.64 115.03 1jr5 n GLU 45 Ca 0.01 0.00 -0.00 0.00 -0.16 0.00 0.00 57.16 57.01 1jr5 n GLU 45 Cb 0.42 0.00 -0.00 0.00 1.43 0.00 0.00 31.44 33.29 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 0.37 2.93 -1.84 0.00 -1.26 -4.98 105.19 100.41 1jr5 n GLY 46 Ca 0.00 -0.02 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.62 0.10 0.00 1.61 1.81 -1.26 -5.07 118.95 115.52 1jr5 s ARG 47 Ca 0.00 0.42 0.00 0.00 -1.72 0.00 0.00 55.73 54.43 1jr5 s ARG 47 Cb 0.00 -0.18 0.00 0.00 -0.45 0.00 0.00 34.95 34.32 1jr5 s ARG 47 CO 0.00 -0.18 0.00 0.36 -0.68 0.00 0.00 175.30 174.80 1jr5 n LYS 48 N 4.35 2.38 -4.17 3.54 -0.00 -1.26 -2.79 118.16 120.22 1jr5 n LYS 48 Ca -0.24 0.00 -0.16 0.00 -0.00 0.00 0.00 58.31 57.91 1jr5 n LYS 48 Cb 0.52 0.00 -0.13 0.00 -0.00 0.00 0.00 35.03 35.42 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 2.16 -0.07 -5.58 1.43 -1.26 -4.66 118.68 110.69 1jr5 s LEU 49 Ca 0.00 -0.39 0.07 0.00 -1.03 0.00 0.00 54.13 52.79 1jr5 s LEU 49 Cb 0.00 -0.32 -0.10 0.00 0.03 0.00 0.00 46.19 45.80 1jr5 s LEU 49 CO 0.00 -0.06 0.04 -3.20 0.23 0.00 0.00 176.35 173.36 1jr5 n ASN 50 N 2.04 3.02 0.00 2.29 5.15 -1.26 -4.42 115.26 122.08 1jr5 n ASN 50 Ca -0.18 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.80 1jr5 n ASN 50 Cb 0.56 0.75 0.00 0.00 -0.53 0.00 0.00 39.78 40.56 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 -2.26 0.00 -0.03 1.20 1.13 -1.26 -4.89 117.38 111.27 1jr5 n GLN 51 Ca -0.12 0.00 -0.20 0.00 -1.94 0.00 0.00 57.00 54.74 1jr5 n GLN 51 Cb 0.72 0.00 -0.13 0.00 0.11 0.00 0.00 30.24 30.94 1jr5 n GLN 51 CO 0.00 0.00 0.00 -0.97 -1.44 0.00 0.00 177.06 174.65 1jr5 h ASN 52 N 0.00 0.23 0.00 1.08 -1.24 -1.99 -3.35 115.58 110.31 1jr5 h ASN 52 Ca 0.00 -0.82 0.00 0.00 0.71 0.00 0.00 56.30 56.19 1jr5 h ASN 52 Cb 0.00 -0.08 0.00 0.00 0.73 0.00 0.00 38.32 38.97 1jr5 h ASN 52 CO 0.00 1.44 0.00 -0.24 -1.29 0.00 0.00 177.43 177.34 1jr5 n SER 53 N -4.19 0.00 -0.23 1.15 2.88 -1.26 -0.14 113.62 111.83 1jr5 n SER 53 Ca -0.22 0.89 0.02 0.00 -1.33 0.00 0.00 58.87 58.23 1jr5 n SER 53 Cb 0.76 -0.44 0.10 0.00 -0.75 0.00 0.00 64.21 63.89 1jr5 n SER 53 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 1jr5 h PHE 54 N 0.00 -0.19 -0.69 0.66 3.04 -1.96 0.71 116.94 118.49 1jr5 h PHE 54 Ca 0.00 0.06 0.06 0.00 3.98 0.00 0.00 57.97 62.07 1jr5 h PHE 54 Cb 0.00 0.19 -0.06 0.00 2.56 0.00 0.00 35.95 38.65 1jr5 h PHE 54 CO -0.82 -0.25 0.39 0.00 -2.02 0.00 0.00 178.31 175.61 1jr5 h ARG 55 N 0.05 0.69 0.00 1.11 3.08 -1.21 0.22 114.38 118.33 1jr5 h ARG 55 Ca 0.35 -0.04 -0.14 0.00 0.07 0.00 0.00 59.98 60.22 1jr5 h ARG 55 Cb 0.57 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 1jr5 h ARG 55 CO -0.65 0.46 -0.68 0.87 -1.07 0.00 0.00 179.97 178.90 1jr5 h LYS 56 N 0.71 0.00 0.88 0.04 1.57 0.15 0.40 116.57 120.31 1jr5 h LYS 56 Ca 0.31 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.05 1jr5 h LYS 56 Cb 0.20 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.52 1jr5 h LYS 56 CO -0.19 0.68 -0.42 0.82 -0.57 0.00 0.00 179.45 179.77 1jr5 h ILE 57 N 0.00 0.00 -0.33 1.86 2.04 0.15 0.42 117.51 121.66 1jr5 h ILE 57 Ca -0.01 -0.05 -0.09 0.00 1.00 0.00 0.00 64.86 65.71 1jr5 h ILE 57 Cb 1.31 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 1jr5 h ILE 57 CO 0.09 0.00 -0.16 0.58 0.00 0.00 0.00 178.15 178.66 1jr5 h VAL 58 N -1.23 1.25 -0.13 1.67 2.07 -0.65 0.47 116.25 119.71 1jr5 h VAL 58 Ca -0.12 -1.15 -0.06 0.00 0.82 0.00 0.00 66.70 66.19 1jr5 h VAL 58 Cb 0.90 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 1jr5 h VAL 58 CO 0.20 0.38 -0.18 -1.28 0.02 0.00 0.00 177.57 176.70 1jr5 h SER 59 N 0.54 0.20 -0.50 0.57 0.87 -0.05 -1.73 113.55 113.44 1jr5 h SER 59 Ca 0.09 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1jr5 h SER 59 Cb 0.58 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.49 1jr5 h SER 59 CO 0.04 0.40 0.00 -0.62 -0.53 0.00 0.00 176.83 176.12 1jr5 n GLU 60 N -4.24 3.30 -3.18 2.24 1.02 0.15 -4.92 120.64 115.02 1jr5 n GLU 60 Ca -0.01 -2.65 -0.40 0.00 -0.02 0.00 0.00 57.16 54.08 1jr5 n GLU 60 Cb 0.30 -1.70 -0.06 0.00 -0.02 0.00 0.00 31.44 29.96 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 -1.76 4.14 0.32 -4.62 1.98 0.16 -4.96 118.68 113.95 1jr5 s LEU 61 Ca 0.42 0.76 0.08 0.00 -2.89 0.00 0.00 54.13 52.50 1jr5 s LEU 61 Cb 0.27 -2.81 -0.04 0.00 0.66 0.00 0.00 46.19 44.28 1jr5 s LEU 61 CO 0.20 -0.23 0.18 0.28 -1.89 0.00 0.00 176.35 174.89 1jr5 s THR 62 N 1.80 3.36 -0.20 3.68 -1.32 -1.26 -4.94 115.64 116.77 1jr5 s THR 62 Ca 0.27 -1.58 0.23 0.00 -1.21 0.00 0.00 61.69 59.39 1jr5 s THR 62 Cb -0.16 -3.07 0.23 0.00 -1.51 0.00 0.00 72.50 67.99 1jr5 s THR 62 CO 0.10 -0.21 1.70 0.06 -2.21 0.00 0.00 174.62 174.05 1jr5 h GLN 63 N 1.47 0.00 0.07 7.08 3.07 -1.99 -0.86 115.11 123.95 1jr5 h GLN 63 Ca -0.45 0.00 -0.26 0.00 0.09 0.00 0.00 58.65 58.03 1jr5 h GLN 63 Cb 1.25 0.00 0.02 0.00 0.08 0.00 0.00 27.48 28.84 1jr5 h GLN 63 CO 0.61 0.00 -1.06 0.93 0.09 0.00 0.00 178.83 179.40 1jr5 h GLU 64 N 0.00 0.60 -0.48 0.06 5.08 -1.99 -0.96 114.58 116.89 1jr5 h GLU 64 Ca 0.00 -0.74 0.11 0.00 -1.00 0.00 0.00 59.36 57.74 1jr5 h GLU 64 Cb 0.05 0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1jr5 h GLU 64 CO 0.00 1.32 0.34 0.22 -1.00 0.00 0.00 179.01 179.88 1jr5 h ASP 65 N 0.21 0.13 -0.15 1.42 1.82 -1.55 0.30 116.42 118.60 1jr5 h ASP 65 Ca -0.15 0.00 -0.11 0.00 -0.39 0.00 0.00 57.03 56.39 1jr5 h ASP 65 Cb 1.74 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 41.73 1jr5 h ASP 65 CO 0.21 0.08 -0.32 0.50 -1.61 0.00 0.00 179.24 178.09 1jr5 h LYS 66 N 0.15 0.48 -0.34 0.28 3.64 -1.31 -0.62 116.57 118.84 1jr5 h LYS 66 Ca 0.23 -0.31 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 1jr5 h LYS 66 Cb 0.71 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.56 1jr5 h LYS 66 CO -0.03 0.92 0.17 0.87 -2.27 0.00 0.00 179.45 179.11 1jr5 h LYS 67 N 0.09 0.48 -0.47 1.90 1.79 0.68 0.54 116.57 121.58 1jr5 h LYS 67 Ca 0.00 -0.07 -0.09 0.00 -2.18 0.00 0.00 60.65 58.31 1jr5 h LYS 67 Cb 0.92 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 31.46 1jr5 h LYS 67 CO 0.07 0.44 -0.06 1.15 -1.08 0.00 0.00 179.45 179.96 1jr5 h THR 68 N 0.41 1.27 0.00 -0.16 2.02 -0.59 0.15 112.91 116.01 1jr5 h THR 68 Ca 0.12 -1.17 -0.08 0.00 0.77 0.00 0.00 66.41 66.04 1jr5 h THR 68 Cb 0.11 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 1jr5 h THR 68 CO -0.02 0.40 -0.40 0.17 0.37 0.00 0.00 175.52 176.05 1jr5 h LEU 69 N 0.73 0.00 -0.55 2.58 -0.00 -1.03 -2.98 115.31 114.07 1jr5 h LEU 69 Ca 0.13 0.00 -0.16 0.00 -0.00 0.00 0.00 57.88 57.85 1jr5 h LEU 69 Cb 0.60 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.25 1jr5 h LEU 69 CO 0.04 0.40 -0.63 0.40 -0.00 0.00 0.00 178.44 178.65 1jr5 h ILE 70 N 0.00 1.37 -1.51 0.15 2.04 0.29 0.32 117.51 120.17 1jr5 h ILE 70 Ca -0.00 -2.00 0.47 0.00 1.00 0.00 0.00 64.86 64.33 1jr5 h ILE 70 Cb 1.26 1.99 -0.11 0.00 -0.74 0.00 0.00 36.82 39.23 1jr5 h ILE 70 CO 0.05 0.60 1.02 -0.78 0.00 0.00 0.00 178.15 179.04 1jr5 h ASP 71 N 0.25 0.15 0.00 1.72 3.58 -0.80 0.29 116.42 121.62 1jr5 h ASP 71 Ca -0.01 0.09 -0.23 0.00 0.42 0.00 0.00 57.03 57.30 1jr5 h ASP 71 Cb 1.17 0.08 -0.04 0.00 1.72 0.00 0.00 39.33 42.25 1jr5 h ASP 71 CO 0.10 -0.12 -1.87 -0.62 -2.88 0.00 0.00 179.24 173.86 1jr5 n GLU 72 N -4.43 1.14 -2.28 0.28 1.02 -1.14 -4.64 120.64 110.59 1jr5 n GLU 72 Ca 0.39 0.05 -0.40 0.00 -0.02 0.00 0.00 57.16 57.18 1jr5 n GLU 72 Cb 1.60 -1.31 0.02 0.00 -0.02 0.00 0.00 31.44 31.72 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 -2.72 2.70 0.00 -0.32 3.01 0.11 -4.91 117.46 115.34 1jr5 n PHE 73 Ca -0.24 -2.50 0.00 0.00 1.01 0.00 0.00 57.45 55.72 1jr5 n PHE 73 Cb 0.84 -1.31 0.00 0.00 -0.01 0.00 0.00 39.48 39.00 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 0.17 0.00 -0.69 4.37 3.02 0.72 -3.97 115.26 118.88 1jr5 n ASN 74 Ca 0.51 0.20 0.07 0.00 -0.03 0.00 0.00 54.58 55.33 1jr5 n ASN 74 Cb 0.27 0.00 0.20 0.00 -0.61 0.00 0.00 39.78 39.64 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 -0.37 2.77 -0.34 3.52 0.28 -1.26 -4.55 120.64 120.69 1jr5 n GLU 75 Ca 0.00 -2.48 0.10 0.00 -0.16 0.00 0.00 57.16 54.61 1jr5 n GLU 75 Cb 0.00 -1.58 0.28 0.00 1.43 0.00 0.00 31.44 31.57 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 -0.26 1.95 0.00 -1.84 0.00 -1.25 -4.23 105.19 99.56 1jr5 n GLY 76 Ca 0.16 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 1.28 0.00 0.94 1.61 -1.74 -1.26 -4.81 117.46 113.48 1jr5 n PHE 77 Ca 0.21 -0.03 0.09 0.00 -0.56 0.00 0.00 57.45 57.16 1jr5 n PHE 77 Cb 0.55 -0.00 0.49 0.00 1.52 0.00 0.00 39.48 42.03 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 0.32 -0.11 3.97 4.07 -1.26 -1.55 120.64 126.05 1jr5 n GLU 78 Ca 0.00 0.09 0.05 0.00 -0.06 0.00 0.00 57.16 57.24 1jr5 n GLU 78 Cb 0.32 -1.50 0.07 0.00 -0.06 0.00 0.00 31.44 30.27 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 0.28 2.91 0.82 8.31 0.00 -1.26 -4.36 105.19 111.89 1jr5 n GLY 79 Ca 0.10 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.81 0.00 0.20 1.61 3.14 -1.05 -4.02 118.33 117.40 1jr5 n VAL 80 Ca 0.07 0.00 0.08 0.00 -2.96 0.00 0.00 64.34 61.53 1jr5 n VAL 80 Cb 0.53 -0.80 0.40 0.00 -1.06 0.00 0.00 33.84 32.91 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 0.00 1.45 3.20 -1.58 0.62 116.97 120.67 1jr5 h TYR 81 Ca 0.00 0.00 -0.26 0.00 3.14 0.00 0.00 58.73 61.61 1jr5 h TYR 81 Cb 0.62 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.85 1jr5 h TYR 81 CO 0.00 0.30 -1.64 0.54 -1.64 0.00 0.00 178.16 175.72 1jr5 n ARG 82 N -3.48 0.63 -0.04 1.82 5.12 -1.26 -3.80 116.66 115.66 1jr5 n ARG 82 Ca -0.00 0.28 -0.12 0.00 -1.93 0.00 0.00 57.85 56.08 1jr5 n ARG 82 Cb 0.47 -1.80 -0.11 0.00 -1.16 0.00 0.00 32.46 29.86 1jr5 n ARG 82 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 1jr5 h TYR 83 N 0.00 -0.03 -0.16 -1.55 -1.99 -1.60 0.20 116.97 111.84 1jr5 h TYR 83 Ca -0.26 -0.00 0.05 0.00 2.00 0.00 0.00 58.73 60.52 1jr5 h TYR 83 Cb 1.92 0.01 -0.01 0.00 2.00 0.00 0.00 36.73 40.65 1jr5 h TYR 83 CO 0.00 0.70 0.25 1.37 -0.00 0.00 0.00 178.16 180.48 1jr5 h LEU 84 N -0.87 0.00 0.02 3.88 -0.00 0.06 -1.82 115.31 116.59 1jr5 h LEU 84 Ca -0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.88 57.57 1jr5 h LEU 84 Cb 0.74 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.36 1jr5 h LEU 84 CO 0.01 0.00 -1.72 1.21 -0.00 0.00 0.00 178.44 177.94 1jr5 n GLU 85 N -3.48 0.61 -0.33 0.17 2.13 -1.22 -3.02 120.64 115.49 1jr5 n GLU 85 Ca 0.01 0.43 0.25 0.00 0.66 0.00 0.00 57.16 58.51 1jr5 n GLU 85 Cb 0.36 -1.68 0.46 0.00 0.27 0.00 0.00 31.44 30.86 1jr5 n GLU 85 CO 0.00 0.00 0.00 0.52 -0.41 0.00 0.00 177.13 177.24 1jr5 h MET 86 N -0.74 0.01 0.10 5.31 2.86 0.26 1.06 114.93 123.79 1jr5 h MET 86 Ca -0.45 -0.00 -0.34 0.00 -2.06 0.00 0.00 59.70 56.85 1jr5 h MET 86 Cb 1.54 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.18 1jr5 h MET 86 CO -0.19 0.01 -1.88 1.88 1.06 0.00 0.00 176.91 177.79 1jr5 h TYR 87 N 0.01 0.39 -2.75 -0.22 0.05 -1.66 -3.42 116.97 109.38 1jr5 h TYR 87 Ca 0.74 -0.29 -0.60 0.00 0.05 0.00 0.00 58.73 58.63 1jr5 h TYR 87 Cb 1.81 -0.02 -0.40 0.00 1.01 0.00 0.00 36.73 39.14 1jr5 h TYR 87 CO -0.21 1.57 -0.78 0.95 -1.05 0.00 0.00 178.16 178.63 1jr5 s THR 88 N -2.57 1.42 -0.17 -2.88 -4.23 0.78 -4.85 115.64 103.14 1jr5 s THR 88 Ca -0.17 -3.14 -0.04 0.00 -1.18 0.00 0.00 61.69 57.16 1jr5 s THR 88 Cb 0.07 -1.96 -0.03 0.00 1.34 0.00 0.00 72.50 71.92 1jr5 s THR 88 CO 0.80 -1.08 -0.03 0.54 -0.54 0.00 0.00 174.62 174.31 1jr5 s ASN 89 N -0.34 4.82 0.00 3.99 2.20 0.33 -4.02 114.94 121.92 1jr5 s ASN 89 Ca 0.26 -0.14 0.00 0.00 -0.94 0.00 0.00 52.86 52.04 1jr5 s ASN 89 Cb -0.06 -1.80 0.00 0.00 -2.00 0.00 0.00 41.25 37.39 1jr5 s ASN 89 CO -0.14 0.15 0.33 0.29 -2.94 0.00 0.00 177.10 174.79