#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 -4.92 7.83 4.13 -1.26 -5.05 115.26 115.99 1jr5 n ASN 2 Ca 0.00 0.00 -0.26 0.00 1.68 0.00 0.00 54.58 56.00 1jr5 n ASN 2 Cb 0.00 0.00 0.05 0.00 -1.54 0.00 0.00 39.78 38.29 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 -0.91 2.61 0.24 3.52 2.20 -1.26 -4.97 119.74 121.17 1jr5 s LYS 3 Ca 0.00 -0.09 -0.04 0.00 -0.36 0.00 0.00 55.97 55.48 1jr5 s LYS 3 Cb 0.00 -2.21 0.41 0.00 -1.51 0.00 0.00 37.83 34.52 1jr5 s LYS 3 CO 0.00 -0.95 1.79 -0.91 -0.36 0.00 0.00 175.35 174.92 1jr5 h ASN 4 N -0.38 0.57 -0.96 1.43 2.35 -1.93 -2.23 115.58 114.44 1jr5 h ASN 4 Ca -0.45 0.06 0.39 0.00 -0.55 0.00 0.00 56.30 55.75 1jr5 h ASN 4 Cb 1.28 -0.04 -0.17 0.00 0.05 0.00 0.00 38.32 39.44 1jr5 h ASN 4 CO 0.61 0.31 0.47 0.00 -1.65 0.00 0.00 177.43 177.16 1jr5 n ILE 5 N -4.81 -0.40 0.01 2.81 3.06 -1.26 0.45 119.36 119.22 1jr5 n ILE 5 Ca 0.14 1.95 -0.00 0.00 -2.50 0.00 0.00 62.75 62.34 1jr5 n ILE 5 Cb 0.31 -3.14 -0.00 0.00 0.54 0.00 0.00 39.64 37.35 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 -0.02 -0.11 9.51 3.32 -1.78 0.34 116.42 127.68 1jr5 h ASP 6 Ca 0.79 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.87 1jr5 h ASP 6 Cb 2.06 0.01 -0.00 0.00 0.22 0.00 0.00 39.33 41.61 1jr5 h ASP 6 CO -0.75 -0.01 0.09 0.74 -1.72 0.00 0.00 179.24 177.58 1jr5 h THR 7 N -0.03 0.77 0.52 0.35 2.02 -1.56 -1.16 112.91 113.82 1jr5 h THR 7 Ca -0.00 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 1jr5 h THR 7 Cb 0.02 0.94 0.01 0.00 -1.74 0.00 0.00 68.15 67.37 1jr5 h THR 7 CO 0.00 0.00 -0.25 0.58 0.37 0.00 0.00 175.52 176.22 1jr5 h VAL 8 N 0.00 0.32 -1.05 3.16 2.07 -0.01 0.28 116.25 121.02 1jr5 h VAL 8 Ca 0.05 -0.43 0.27 0.00 0.82 0.00 0.00 66.70 67.42 1jr5 h VAL 8 Cb 0.22 0.44 -0.10 0.00 -1.52 0.00 0.00 31.29 30.34 1jr5 h VAL 8 CO -0.00 0.05 0.67 0.03 0.02 0.00 0.00 177.57 178.34 1jr5 h ARG 9 N -1.02 0.38 0.19 1.57 3.08 0.56 0.16 114.38 119.30 1jr5 h ARG 9 Ca -0.07 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 1jr5 h ARG 9 Cb 0.62 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.58 1jr5 h ARG 9 CO 0.12 0.25 -0.09 0.93 -1.07 0.00 0.00 179.97 180.11 1jr5 h GLU 10 N 0.39 -0.24 -0.88 0.04 4.39 -0.95 -1.88 114.58 115.45 1jr5 h GLU 10 Ca 0.61 0.02 0.11 0.00 0.34 0.00 0.00 59.36 60.43 1jr5 h GLU 10 Cb 1.53 0.05 -0.13 0.00 -0.10 0.00 0.00 28.75 30.11 1jr5 h GLU 10 CO -0.32 -0.16 -0.43 -0.89 -1.16 0.00 0.00 179.01 176.06 1jr5 n ILE 11 N -2.81 -0.53 0.21 3.13 5.41 0.95 0.10 119.36 125.81 1jr5 n ILE 11 Ca -0.03 2.10 -0.10 0.00 1.00 0.00 0.00 62.75 65.71 1jr5 n ILE 11 Cb 0.10 -2.69 -0.05 0.00 -0.71 0.00 0.00 39.64 36.29 1jr5 n ILE 11 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 176.55 176.71 1jr5 h ILE 12 N 0.00 0.00 -0.10 1.39 3.07 -0.82 -0.99 117.51 120.06 1jr5 h ILE 12 Ca 0.23 0.00 0.02 0.00 1.55 0.00 0.00 64.86 66.66 1jr5 h ILE 12 Cb 0.45 0.00 -0.04 0.00 -0.27 0.00 0.00 36.82 36.96 1jr5 h ILE 12 CO -0.85 0.00 -0.37 0.74 -1.05 0.00 0.00 178.15 176.62 1jr5 h THR 13 N -0.61 0.00 -0.07 0.16 2.02 -0.41 -0.34 112.91 113.65 1jr5 h THR 13 Ca -0.05 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.15 1jr5 h THR 13 Cb 0.51 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.87 1jr5 h THR 13 CO 0.02 0.00 -0.44 -0.37 0.37 0.00 0.00 175.52 175.10 1jr5 h VAL 14 N -0.39 0.00 -0.88 3.16 -1.51 -0.38 0.50 116.25 116.75 1jr5 h VAL 14 Ca 0.02 0.00 0.23 0.00 -1.23 0.00 0.00 66.70 65.72 1jr5 h VAL 14 Cb 0.46 0.00 -0.05 0.00 -2.13 0.00 0.00 31.29 29.57 1jr5 h VAL 14 CO -0.30 0.00 0.61 0.00 -1.23 0.00 0.00 177.57 176.65 1jr5 h ALA 15 N -0.55 2.54 -0.26 5.19 0.00 -1.08 0.89 119.26 125.99 1jr5 h ALA 15 Ca 0.02 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 1jr5 h ALA 15 Cb 0.57 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1jr5 h ALA 15 CO -0.33 -0.80 -0.36 0.66 0.00 0.00 0.00 179.25 178.41 1jr5 h SER 16 N 0.18 0.60 -0.71 0.00 4.64 0.56 -0.87 113.55 117.95 1jr5 h SER 16 Ca 0.44 -0.25 0.04 0.00 -0.47 0.00 0.00 61.79 61.55 1jr5 h SER 16 Cb 1.44 -0.17 -0.05 0.00 -0.31 0.00 0.00 62.40 63.31 1jr5 h SER 16 CO -0.09 0.91 0.43 0.40 -0.87 0.00 0.00 176.83 177.61 1jr5 h ILE 17 N 0.48 1.05 0.05 0.95 2.04 0.28 0.30 117.51 122.67 1jr5 h ILE 17 Ca 0.05 -0.28 0.02 0.00 1.00 0.00 0.00 64.86 65.65 1jr5 h ILE 17 Cb 0.85 0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 1jr5 h ILE 17 CO 0.07 0.15 -0.19 -0.07 0.00 0.00 0.00 178.15 178.11 1jr5 h LEU 18 N 0.83 -0.54 -0.98 1.44 3.38 -0.65 0.80 115.31 119.59 1jr5 h LEU 18 Ca 0.30 0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.40 1jr5 h LEU 18 Cb 0.09 0.21 -0.07 0.00 0.09 0.00 0.00 40.66 40.99 1jr5 h LEU 18 CO -0.14 -0.26 0.63 -0.29 0.09 0.00 0.00 178.44 178.47 1jr5 h ILE 19 N -0.33 1.09 -0.17 1.22 2.10 -0.25 0.73 117.51 121.89 1jr5 h ILE 19 Ca 0.04 -0.40 -0.05 0.00 1.08 0.00 0.00 64.86 65.53 1jr5 h ILE 19 Cb 0.38 -0.17 -0.01 0.00 -1.09 0.00 0.00 36.82 35.93 1jr5 h ILE 19 CO -0.14 0.21 -0.14 0.50 -1.08 0.00 0.00 178.15 177.50 1jr5 h LYS 20 N 1.15 0.27 -0.98 2.19 3.64 0.31 -1.48 116.57 121.67 1jr5 h LYS 20 Ca 0.42 -0.07 -0.22 0.00 -1.27 0.00 0.00 60.65 59.52 1jr5 h LYS 20 Cb 0.16 -0.03 -0.13 0.00 -0.41 0.00 0.00 32.23 31.81 1jr5 h LYS 20 CO -0.17 0.42 0.27 1.19 -2.27 0.00 0.00 179.45 178.89 1jr5 n PHE 21 N -4.25 1.39 -2.90 1.91 3.72 0.21 -4.82 117.46 112.72 1jr5 n PHE 21 Ca -0.01 -1.04 -0.20 0.00 -0.05 0.00 0.00 57.45 56.15 1jr5 n PHE 21 Cb 0.29 -0.55 0.01 0.00 -0.94 0.00 0.00 39.48 38.29 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 -0.21 -4.92 -1.41 4.37 2.88 -0.56 -4.86 113.62 108.92 1jr5 n SER 22 Ca 0.26 -0.17 -0.08 0.00 -1.33 0.00 0.00 58.87 57.55 1jr5 n SER 22 Cb 1.01 -4.05 0.20 0.00 -0.75 0.00 0.00 64.21 60.62 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 -3.53 2.00 0.33 -1.46 5.12 0.23 -4.63 116.66 114.72 1jr5 n ARG 23 Ca -0.11 -3.14 0.17 0.00 -1.93 0.00 0.00 57.85 52.84 1jr5 n ARG 23 Cb 0.61 -1.91 0.93 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 1.06 0.00 -0.38 5.56 4.81 -1.77 0.43 114.58 124.29 1jr5 h GLU 24 Ca 0.31 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.47 1jr5 h GLU 24 Cb 1.94 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 31.30 1jr5 h GLU 24 CO 0.55 0.00 -0.06 -0.44 -0.73 0.00 0.00 179.01 178.33 1jr5 h ASP 25 N 0.00 0.61 0.60 1.04 3.32 -1.94 0.74 116.42 120.80 1jr5 h ASP 25 Ca 0.00 -0.15 -0.27 0.00 0.02 0.00 0.00 57.03 56.63 1jr5 h ASP 25 Cb 0.43 -0.16 0.01 0.00 0.22 0.00 0.00 39.33 39.82 1jr5 h ASP 25 CO 0.00 0.72 -1.23 0.40 -1.72 0.00 0.00 179.24 177.41 1jr5 h ILE 26 N 0.59 1.49 0.00 0.35 2.04 -0.54 -3.23 117.51 118.22 1jr5 h ILE 26 Ca 0.11 -3.02 0.00 0.00 1.00 0.00 0.00 64.86 62.96 1jr5 h ILE 26 Cb 0.46 2.92 0.00 0.00 -0.74 0.00 0.00 36.82 39.46 1jr5 h ILE 26 CO 0.02 0.88 0.00 0.58 0.00 0.00 0.00 178.15 179.64 1jr5 h VAL 27 N 0.09 0.00 -0.01 1.67 2.07 -0.92 -1.78 116.25 117.36 1jr5 h VAL 27 Ca -0.14 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.68 1jr5 h VAL 27 Cb 1.96 1.68 0.00 0.00 -1.52 0.00 0.00 31.29 33.41 1jr5 h VAL 27 CO 0.20 0.00 -0.20 -0.62 0.02 0.00 0.00 177.57 176.97 1jr5 n GLU 28 N -2.84 1.03 -4.51 1.57 1.02 0.26 -4.76 120.64 112.40 1jr5 n GLU 28 Ca 0.03 -0.61 -0.22 0.00 -0.02 0.00 0.00 57.16 56.34 1jr5 n GLU 28 Cb 0.43 -1.49 -0.16 0.00 -0.02 0.00 0.00 31.44 30.21 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 1.50 0.20 1.62 3.84 -1.22 -4.74 114.94 113.76 1jr5 s ASN 29 Ca 0.27 -0.24 -0.10 0.00 0.21 0.00 0.00 52.86 53.00 1jr5 s ASN 29 Cb 0.20 -0.46 0.23 0.00 -0.55 0.00 0.00 41.25 40.67 1jr5 s ASN 29 CO 0.48 0.08 1.79 0.08 -2.79 0.00 0.00 177.10 176.74 1jr5 h ARG 30 N 6.46 0.57 0.30 0.43 0.11 -1.86 0.26 114.38 120.65 1jr5 h ARG 30 Ca -0.33 -0.03 -0.01 0.00 0.10 0.00 0.00 59.98 59.70 1jr5 h ARG 30 Cb 1.17 -0.13 -0.00 0.00 1.11 0.00 0.00 29.97 32.12 1jr5 h ARG 30 CO 0.48 0.38 -0.17 0.00 0.10 0.00 0.00 179.97 180.76 1jr5 h ALA 31 N 1.35 -0.44 -0.23 0.08 0.00 -1.96 0.37 119.26 118.43 1jr5 h ALA 31 Ca 0.29 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1jr5 h ALA 31 Cb 0.22 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1jr5 h ALA 31 CO -0.20 -0.76 0.12 -0.91 0.00 0.00 0.00 179.25 177.50 1jr5 h ASN 32 N -0.45 0.29 -0.25 0.00 2.35 -1.72 -0.59 115.58 115.21 1jr5 h ASN 32 Ca -0.03 -0.11 0.06 0.00 -0.55 0.00 0.00 56.30 55.67 1jr5 h ASN 32 Cb 0.37 -0.07 -0.06 0.00 0.05 0.00 0.00 38.32 38.60 1jr5 h ASN 32 CO 0.04 0.31 -0.13 0.15 -1.65 0.00 0.00 177.43 176.16 1jr5 h PHE 33 N 0.25 -0.31 0.25 1.19 3.04 0.43 0.27 116.94 122.05 1jr5 h PHE 33 Ca 0.08 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 62.06 1jr5 h PHE 33 Cb 0.09 0.18 -0.01 0.00 2.56 0.00 0.00 35.95 38.77 1jr5 h PHE 33 CO -0.03 -0.20 -0.22 0.82 -2.02 0.00 0.00 178.31 176.67 1jr5 h ILE 34 N -0.10 0.53 -0.58 1.41 2.04 -0.07 -1.41 117.51 119.33 1jr5 h ILE 34 Ca 0.13 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.09 1jr5 h ILE 34 Cb 0.30 0.53 -0.08 0.00 -0.74 0.00 0.00 36.82 36.84 1jr5 h ILE 34 CO -0.31 0.00 0.16 0.00 0.00 0.00 0.00 178.15 178.00 1jr5 h ALA 35 N 0.21 0.71 -0.26 1.87 0.00 -0.67 -1.27 119.26 119.84 1jr5 h ALA 35 Ca -0.01 0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.07 1jr5 h ALA 35 Cb 0.44 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 1jr5 h ALA 35 CO -0.03 -0.26 -0.18 0.35 0.00 0.00 0.00 179.25 179.13 1jr5 h PHE 36 N 0.31 -0.44 -0.52 0.00 3.57 -0.09 0.31 116.94 120.07 1jr5 h PHE 36 Ca 0.30 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.84 1jr5 h PHE 36 Cb 0.41 0.24 -0.03 0.00 2.79 0.00 0.00 35.95 39.35 1jr5 h PHE 36 CO -0.21 -0.25 0.33 -0.07 -2.23 0.00 0.00 178.31 175.88 1jr5 h LEU 37 N -0.16 0.56 0.00 0.59 3.38 -0.39 -1.62 115.31 117.66 1jr5 h LEU 37 Ca 0.14 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1jr5 h LEU 37 Cb 0.38 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1jr5 h LEU 37 CO -0.36 0.40 -0.01 -0.46 0.09 0.00 0.00 178.44 178.11 1jr5 n ASN 38 N -4.75 0.21 -0.04 -0.43 6.94 -0.56 -1.44 115.26 115.19 1jr5 n ASN 38 Ca 0.03 0.51 -0.20 0.00 -0.02 0.00 0.00 54.58 54.91 1jr5 n ASN 38 Cb 0.04 -0.57 -0.13 0.00 -2.36 0.00 0.00 39.78 36.76 1jr5 n ASN 38 CO 0.00 0.00 0.00 -1.84 -1.03 0.00 0.00 177.26 174.39 1jr5 n GLU 39 N -1.70 0.72 0.11 -3.83 0.28 0.10 -4.29 120.64 112.03 1jr5 n GLU 39 Ca 0.07 0.22 -0.03 0.00 -0.16 0.00 0.00 57.16 57.26 1jr5 n GLU 39 Cb 0.36 -1.65 0.17 0.00 1.43 0.00 0.00 31.44 31.75 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 0.05 1.38 0.00 3.84 -2.65 -1.42 -3.47 117.51 115.24 1jr5 h ILE 40 Ca -0.47 -1.88 0.00 0.00 1.03 0.00 0.00 64.86 63.54 1jr5 h ILE 40 Cb 2.00 1.96 0.00 0.00 -2.05 0.00 0.00 36.82 38.73 1jr5 h ILE 40 CO 0.03 0.55 0.00 0.61 0.03 0.00 0.00 178.15 179.38 1jr5 n GLY 41 N 0.13 1.00 3.82 0.16 0.00 -1.20 -5.14 105.19 103.96 1jr5 n GLY 41 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.98 5.00 0.24 1.61 1.01 -0.52 -5.06 120.40 120.69 1jr5 s VAL 42 Ca 0.00 -0.25 -0.08 0.00 0.00 0.00 0.00 61.98 61.65 1jr5 s VAL 42 Cb 0.00 -3.28 -0.01 0.00 0.00 0.00 0.00 36.38 33.09 1jr5 s VAL 42 CO 0.00 0.39 0.37 0.42 0.00 0.00 0.00 175.10 176.28 1jr5 s THR 43 N -1.19 0.00 -0.01 3.92 -4.23 -1.26 -3.87 115.64 108.99 1jr5 s THR 43 Ca 0.23 -1.61 0.02 0.00 -1.18 0.00 0.00 61.69 59.14 1jr5 s THR 43 Cb -0.12 -2.34 0.03 0.00 1.34 0.00 0.00 72.50 71.41 1jr5 s THR 43 CO 0.13 0.00 0.81 1.57 -0.54 0.00 0.00 174.62 176.59 1jr5 n HIS 44 N -0.37 0.00 0.00 3.99 -0.00 -1.09 -4.48 115.22 113.28 1jr5 n HIS 44 Ca -0.00 -0.28 0.00 0.00 0.46 0.00 0.00 57.72 57.89 1jr5 n HIS 44 Cb 0.63 -0.04 0.00 0.00 -0.12 0.00 0.00 29.99 30.46 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 -0.33 0.00 -1.13 1.57 0.28 -1.26 -4.86 120.64 114.91 1jr5 n GLU 45 Ca 0.02 0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 56.97 1jr5 n GLU 45 Cb 0.45 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.30 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 0.64 3.12 -1.84 0.00 -1.26 -4.96 105.19 100.88 1jr5 n GLY 46 Ca 0.00 -0.23 -0.12 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.78 0.24 0.00 1.61 1.81 -1.26 -5.09 118.95 114.47 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 4.80 2.19 -4.63 3.54 -0.00 -1.25 -2.66 118.16 120.14 1jr5 n LYS 48 Ca -0.16 0.00 -0.24 0.00 -0.00 0.00 0.00 58.31 57.91 1jr5 n LYS 48 Cb 0.52 0.00 -0.14 0.00 -0.00 0.00 0.00 35.03 35.40 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 2.12 -0.10 -5.58 1.43 -1.26 -4.64 118.68 110.65 1jr5 s LEU 49 Ca 0.00 -0.43 0.07 0.00 -1.03 0.00 0.00 54.13 52.74 1jr5 s LEU 49 Cb 0.00 -0.84 -0.11 0.00 0.03 0.00 0.00 46.19 45.27 1jr5 s LEU 49 CO 0.00 0.14 0.01 -3.20 0.23 0.00 0.00 176.35 173.53 1jr5 n ASN 50 N 2.15 2.78 0.00 2.29 2.85 -1.26 -4.49 115.26 119.58 1jr5 n ASN 50 Ca -0.16 -0.01 0.00 0.00 -0.11 0.00 0.00 54.58 54.29 1jr5 n ASN 50 Cb 0.54 0.57 0.00 0.00 1.24 0.00 0.00 39.78 42.13 1jr5 n ASN 50 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1jr5 n GLN 51 N -2.43 0.00 0.00 1.20 1.13 -1.26 -4.91 117.38 111.10 1jr5 n GLN 51 Ca -0.16 0.00 0.12 0.00 -1.94 0.00 0.00 57.00 55.01 1jr5 n GLN 51 Cb 0.79 0.00 0.17 0.00 0.11 0.00 0.00 30.24 31.31 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 0.79 0.04 1.08 2.85 -1.26 -4.31 115.26 114.45 1jr5 n ASN 52 Ca 0.00 -0.60 -0.03 0.00 -0.11 0.00 0.00 54.58 53.84 1jr5 n ASN 52 Cb 0.00 0.42 -0.01 0.00 1.24 0.00 0.00 39.78 41.43 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 0.34 -0.16 -0.66 1.20 0.87 -1.94 -3.29 113.55 109.91 1jr5 h SER 53 Ca 0.00 0.01 0.11 0.00 -1.23 0.00 0.00 61.79 60.67 1jr5 h SER 53 Cb 0.52 0.04 -0.08 0.00 -0.44 0.00 0.00 62.40 62.44 1jr5 h SER 53 CO 0.00 0.22 0.26 0.15 -0.53 0.00 0.00 176.83 176.93 1jr5 h PHE 54 N -0.86 0.45 -0.34 2.24 3.57 -1.97 -0.19 116.94 119.83 1jr5 h PHE 54 Ca -0.02 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.59 1jr5 h PHE 54 Cb 0.15 -0.10 -0.07 0.00 2.79 0.00 0.00 35.95 38.71 1jr5 h PHE 54 CO 0.01 0.10 -0.16 0.07 -2.23 0.00 0.00 178.31 176.10 1jr5 h ARG 55 N 0.44 -0.10 0.00 1.11 0.11 -1.75 0.31 114.38 114.50 1jr5 h ARG 55 Ca 0.34 0.01 -0.12 0.00 0.10 0.00 0.00 59.98 60.31 1jr5 h ARG 55 Cb 0.44 0.02 -0.02 0.00 1.11 0.00 0.00 29.97 31.53 1jr5 h ARG 55 CO -0.33 -0.06 -0.58 0.87 0.10 0.00 0.00 179.97 179.97 1jr5 h LYS 56 N -0.10 0.00 0.69 0.08 1.57 -1.52 0.39 116.57 117.68 1jr5 h LYS 56 Ca 0.17 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.92 1jr5 h LYS 56 Cb 0.36 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 1jr5 h LYS 56 CO -0.41 0.58 -0.42 0.82 -0.57 0.00 0.00 179.45 179.45 1jr5 h ILE 57 N 0.00 0.16 -0.38 1.86 2.04 0.45 0.57 117.51 122.21 1jr5 h ILE 57 Ca -0.01 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.74 1jr5 h ILE 57 Cb 1.05 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 1jr5 h ILE 57 CO 0.07 0.00 -0.23 0.58 0.00 0.00 0.00 178.15 178.57 1jr5 h VAL 58 N -1.04 1.27 -0.16 1.67 2.07 -0.40 0.17 116.25 119.84 1jr5 h VAL 58 Ca -0.09 -1.35 -0.04 0.00 0.82 0.00 0.00 66.70 66.05 1jr5 h VAL 58 Cb 0.83 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 1jr5 h VAL 58 CO 0.09 0.45 -0.08 -1.28 0.02 0.00 0.00 177.57 176.77 1jr5 h SER 59 N 0.66 0.23 -0.55 0.57 0.87 0.06 -1.23 113.55 114.15 1jr5 h SER 59 Ca 0.09 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1jr5 h SER 59 Cb 0.74 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.64 1jr5 h SER 59 CO 0.06 0.34 0.00 -0.62 -0.53 0.00 0.00 176.83 176.08 1jr5 n GLU 60 N -4.32 3.48 -3.22 2.24 -0.58 0.20 -4.93 120.64 113.51 1jr5 n GLU 60 Ca -0.01 -2.75 -0.39 0.00 -0.42 0.00 0.00 57.16 53.60 1jr5 n GLU 60 Cb 0.23 -1.78 -0.06 0.00 -0.57 0.00 0.00 31.44 29.26 1jr5 n GLU 60 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1jr5 s LEU 61 N -1.84 4.23 0.37 -4.62 1.98 0.56 -4.96 118.68 114.40 1jr5 s LEU 61 Ca 0.45 0.85 0.08 0.00 -2.89 0.00 0.00 54.13 52.63 1jr5 s LEU 61 Cb 0.30 -2.80 -0.05 0.00 0.66 0.00 0.00 46.19 44.30 1jr5 s LEU 61 CO 0.21 -0.11 0.16 0.28 -1.89 0.00 0.00 176.35 175.00 1jr5 s THR 62 N 1.10 2.67 -0.52 3.68 -1.32 -1.26 -4.96 115.64 115.04 1jr5 s THR 62 Ca 0.28 -1.70 0.18 0.00 -1.21 0.00 0.00 61.69 59.24 1jr5 s THR 62 Cb -0.16 -2.97 0.18 0.00 -1.51 0.00 0.00 72.50 68.05 1jr5 s THR 62 CO 0.11 -0.10 1.55 0.00 -2.21 0.00 0.00 174.62 173.98 1jr5 n GLN 63 N -1.19 0.12 0.14 7.08 0.00 -1.26 -1.63 117.38 120.63 1jr5 n GLN 63 Ca -0.02 0.50 -0.23 0.00 0.00 0.00 0.00 57.00 57.24 1jr5 n GLN 63 Cb 0.63 -1.80 -0.16 0.00 0.00 0.00 0.00 30.24 28.91 1jr5 n GLN 63 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 1jr5 h GLU 64 N 0.00 0.51 -0.71 2.61 4.81 -1.98 -1.21 114.58 118.60 1jr5 h GLU 64 Ca 0.00 -0.86 0.05 0.00 -0.13 0.00 0.00 59.36 58.43 1jr5 h GLU 64 Cb 0.15 0.32 -0.04 0.00 0.63 0.00 0.00 28.75 29.81 1jr5 h GLU 64 CO 0.00 1.41 0.47 0.22 -0.73 0.00 0.00 179.01 180.38 1jr5 h ASP 65 N 0.14 0.68 -0.31 1.04 3.58 -1.71 0.27 116.42 120.11 1jr5 h ASP 65 Ca -0.24 -0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.14 1jr5 h ASP 65 Cb 2.14 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 43.03 1jr5 h ASP 65 CO 0.27 0.45 -0.10 0.50 -2.88 0.00 0.00 179.24 177.48 1jr5 h LYS 66 N 0.78 0.61 0.76 0.28 3.64 -1.41 -0.68 116.57 120.55 1jr5 h LYS 66 Ca 0.30 -0.24 -0.03 0.00 -1.27 0.00 0.00 60.65 59.40 1jr5 h LYS 66 Cb 0.20 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1jr5 h LYS 66 CO -0.09 0.81 -0.43 -0.22 -2.27 0.00 0.00 179.45 177.25 1jr5 h LYS 67 N 0.38 -1.07 -0.99 1.90 1.63 0.34 0.32 116.57 119.08 1jr5 h LYS 67 Ca 0.08 0.07 0.05 0.00 -0.85 0.00 0.00 60.65 59.99 1jr5 h LYS 67 Cb 0.60 0.24 -0.06 0.00 -0.60 0.00 0.00 32.23 32.41 1jr5 h LYS 67 CO 0.03 -0.71 0.64 1.15 -3.45 0.00 0.00 179.45 177.12 1jr5 h THR 68 N -1.11 1.14 0.00 1.00 2.02 -0.61 -0.24 112.91 115.12 1jr5 h THR 68 Ca -0.10 -0.42 -0.02 0.00 0.77 0.00 0.00 66.41 66.64 1jr5 h THR 68 Cb 0.87 -0.19 -0.00 0.00 -1.74 0.00 0.00 68.15 67.10 1jr5 h THR 68 CO 0.13 0.22 -0.10 0.17 0.37 0.00 0.00 175.52 176.31 1jr5 h LEU 69 N 1.22 0.00 -0.56 2.58 -0.00 -1.04 -2.85 115.31 114.66 1jr5 h LEU 69 Ca 0.41 0.00 -0.16 0.00 -0.00 0.00 0.00 57.88 58.13 1jr5 h LEU 69 Cb 0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.71 1jr5 h LEU 69 CO -0.14 0.10 -0.64 0.40 -0.00 0.00 0.00 178.44 178.16 1jr5 h ILE 70 N 0.00 1.38 -1.28 0.15 2.04 0.81 0.30 117.51 120.92 1jr5 h ILE 70 Ca -0.00 -2.03 0.43 0.00 1.00 0.00 0.00 64.86 64.26 1jr5 h ILE 70 Cb 1.02 2.02 -0.13 0.00 -0.74 0.00 0.00 36.82 38.99 1jr5 h ILE 70 CO 0.01 0.61 0.81 -0.78 0.00 0.00 0.00 178.15 178.80 1jr5 h ASP 71 N 0.23 0.26 0.00 1.72 1.82 -0.84 0.91 116.42 120.52 1jr5 h ASP 71 Ca -0.01 0.15 -0.28 0.00 -0.39 0.00 0.00 57.03 56.50 1jr5 h ASP 71 Cb 1.17 0.14 -0.05 0.00 0.68 0.00 0.00 39.33 41.27 1jr5 h ASP 71 CO 0.10 -0.21 -2.05 -0.62 -1.61 0.00 0.00 179.24 174.86 1jr5 n GLU 72 N -4.77 0.90 -1.99 0.28 1.02 -1.16 -4.54 120.64 110.38 1jr5 n GLU 72 Ca 0.37 0.06 -0.37 0.00 -0.02 0.00 0.00 57.16 57.20 1jr5 n GLU 72 Cb 1.40 -1.38 0.01 0.00 -0.02 0.00 0.00 31.44 31.45 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 -2.86 2.56 0.00 -0.32 3.01 0.11 -4.92 117.46 115.04 1jr5 n PHE 73 Ca -0.30 -2.34 0.00 0.00 1.01 0.00 0.00 57.45 55.82 1jr5 n PHE 73 Cb 0.90 -1.31 0.00 0.00 -0.01 0.00 0.00 39.48 39.06 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 0.16 0.00 -0.96 4.37 4.13 0.29 -3.98 115.26 119.28 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 0.31 0.00 0.25 0.00 -1.54 0.00 0.00 39.78 38.80 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 3.13 -0.75 3.52 -0.00 -1.26 -4.50 120.64 120.78 1jr5 n GLU 75 Ca 0.00 -2.61 0.08 0.00 -0.00 0.00 0.00 57.16 54.62 1jr5 n GLU 75 Cb 0.00 -1.69 0.37 0.00 -0.00 0.00 0.00 31.44 30.12 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 0.10 2.78 0.00 -1.84 0.00 -1.26 -4.24 105.19 100.73 1jr5 n GLY 76 Ca 0.19 -0.85 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 0.81 0.00 0.76 1.61 -1.74 -1.26 -4.82 117.46 112.82 1jr5 n PHE 77 Ca 0.26 -0.02 0.08 0.00 -0.56 0.00 0.00 57.45 57.21 1jr5 n PHE 77 Cb 1.03 -0.00 0.42 0.00 1.52 0.00 0.00 39.48 42.45 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 -0.02 0.19 -0.12 3.97 4.07 -1.26 -1.91 120.64 125.55 1jr5 n GLU 78 Ca 0.00 0.14 0.05 0.00 -0.06 0.00 0.00 57.16 57.29 1jr5 n GLU 78 Cb 0.34 -1.50 0.07 0.00 -0.06 0.00 0.00 31.44 30.29 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 0.19 2.90 0.58 8.31 0.00 -1.26 -4.43 105.19 111.47 1jr5 n GLY 79 Ca 0.07 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 0.22 1.61 3.14 -1.05 -4.04 118.33 117.39 1jr5 n VAL 80 Ca 0.08 0.00 0.09 0.00 -2.96 0.00 0.00 64.34 61.54 1jr5 n VAL 80 Cb 0.54 -0.87 0.47 0.00 -1.06 0.00 0.00 33.84 32.92 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 -1.67 -1.47 116.97 118.48 1jr5 h TYR 81 Ca 0.00 0.00 -0.25 0.00 3.14 0.00 0.00 58.73 61.62 1jr5 h TYR 81 Cb 0.84 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 39.06 1jr5 h TYR 81 CO 0.00 0.26 -1.53 0.00 -1.64 0.00 0.00 178.16 175.26 1jr5 h ARG 82 N 0.00 0.00 0.05 1.82 2.47 -1.77 -3.37 114.38 113.58 1jr5 h ARG 82 Ca -0.00 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1jr5 h ARG 82 Cb 0.69 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.01 1jr5 h ARG 82 CO 0.03 0.50 -0.02 1.88 0.56 0.00 0.00 179.97 182.92 1jr5 h TYR 83 N 0.00 -0.06 -1.06 3.04 -1.99 -1.56 -2.66 116.97 112.69 1jr5 h TYR 83 Ca -0.22 -0.00 0.28 0.00 2.00 0.00 0.00 58.73 60.79 1jr5 h TYR 83 Cb 1.87 0.02 -0.07 0.00 2.00 0.00 0.00 36.73 40.55 1jr5 h TYR 83 CO 0.00 0.23 0.71 1.37 -0.00 0.00 0.00 178.16 180.47 1jr5 h LEU 84 N -0.35 0.27 0.49 3.88 8.10 -1.45 -1.75 115.31 124.51 1jr5 h LEU 84 Ca -0.01 0.05 -0.02 0.00 0.11 0.00 0.00 57.88 58.01 1jr5 h LEU 84 Cb 0.31 0.01 0.00 0.00 -0.44 0.00 0.00 40.66 40.54 1jr5 h LEU 84 CO 0.01 0.06 -0.24 -0.08 -4.11 0.00 0.00 178.44 174.08 1jr5 h GLU 85 N 0.24 -0.64 -0.59 0.17 4.81 -1.65 0.46 114.58 117.38 1jr5 h GLU 85 Ca 0.56 0.04 0.17 0.00 -0.13 0.00 0.00 59.36 60.01 1jr5 h GLU 85 Cb 1.72 0.15 -0.02 0.00 0.63 0.00 0.00 28.75 31.22 1jr5 h GLU 85 CO -0.18 -0.43 0.67 0.52 -0.73 0.00 0.00 179.01 178.87 1jr5 h MET 86 N -1.12 0.00 0.00 1.92 2.86 -1.01 0.98 114.93 118.57 1jr5 h MET 86 Ca -0.07 0.00 -0.35 0.00 -2.06 0.00 0.00 59.70 57.22 1jr5 h MET 86 Cb 0.51 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.10 1jr5 h MET 86 CO 0.11 0.00 -2.33 0.66 1.06 0.00 0.00 176.91 176.41 1jr5 n TYR 87 N -3.55 0.00 0.00 -0.22 4.01 -0.77 -4.81 117.16 111.83 1jr5 n TYR 87 Ca 0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.86 1jr5 n TYR 87 Cb 0.89 -0.94 0.00 0.00 -0.31 0.00 0.00 39.34 38.98 1jr5 n TYR 87 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1jr5 n THR 88 N -2.83 0.00 -0.08 -0.72 -2.24 0.16 -4.15 114.28 104.42 1jr5 n THR 88 Ca -0.34 -0.07 -0.03 0.00 -2.27 0.00 0.00 64.05 61.34 1jr5 n THR 88 Cb 1.08 0.46 -0.00 0.00 -2.10 0.00 0.00 70.33 69.77 1jr5 n THR 88 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1jr5 n ASN 89 N -0.65 -0.05 0.00 3.42 4.05 0.33 -4.96 115.26 117.40 1jr5 n ASN 89 Ca 0.00 0.06 0.00 0.00 0.45 0.00 0.00 54.58 55.09 1jr5 n ASN 89 Cb 0.00 -0.05 0.00 0.00 1.23 0.00 0.00 39.78 40.96 1jr5 n ASN 89 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 177.26 176.50