#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 5.91 -4.49 6.12 0.23 -1.26 -4.87 115.26 116.90 1jr5 n ASN 2 Ca 0.00 -3.77 -0.24 0.00 -0.53 0.00 0.00 54.58 50.04 1jr5 n ASN 2 Cb 0.00 -0.68 -0.10 0.00 -2.08 0.00 0.00 39.78 36.92 1jr5 n ASN 2 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1jr5 s LYS 3 N -3.66 1.77 0.17 -3.83 1.02 -1.26 -5.04 119.74 108.91 1jr5 s LYS 3 Ca 0.57 -2.00 -0.11 0.00 0.02 0.00 0.00 55.97 54.45 1jr5 s LYS 3 Cb 0.46 -1.10 0.05 0.00 -0.52 0.00 0.00 37.83 36.72 1jr5 s LYS 3 CO 0.02 -0.17 1.64 -0.91 -0.92 0.00 0.00 175.35 175.01 1jr5 h ASN 4 N 1.97 0.94 -1.10 2.83 2.35 -1.93 -2.97 115.58 117.67 1jr5 h ASN 4 Ca -0.42 -0.28 0.34 0.00 -0.55 0.00 0.00 56.30 55.39 1jr5 h ASN 4 Cb 1.25 -0.25 -0.13 0.00 0.05 0.00 0.00 38.32 39.24 1jr5 h ASN 4 CO 0.72 0.99 0.67 -0.29 -1.65 0.00 0.00 177.43 177.87 1jr5 h ILE 5 N 0.86 0.30 0.21 2.81 2.10 -1.96 0.77 117.51 122.60 1jr5 h ILE 5 Ca 0.17 -0.10 -0.01 0.00 1.08 0.00 0.00 64.86 66.00 1jr5 h ILE 5 Cb 0.48 0.00 0.00 0.00 -1.09 0.00 0.00 36.82 36.21 1jr5 h ILE 5 CO 0.02 0.05 -0.10 0.44 -1.08 0.00 0.00 178.15 177.48 1jr5 h ASP 6 N 0.28 -0.24 0.57 2.19 3.32 -1.86 0.28 116.42 120.96 1jr5 h ASP 6 Ca 0.73 -0.26 0.00 0.00 0.02 0.00 0.00 57.03 57.51 1jr5 h ASP 6 Cb 1.88 0.06 0.00 0.00 0.22 0.00 0.00 39.33 41.49 1jr5 h ASP 6 CO -0.48 0.29 0.00 0.74 -1.72 0.00 0.00 179.24 178.06 1jr5 h THR 7 N -0.93 0.00 0.00 0.35 2.02 -1.40 -1.16 112.91 111.79 1jr5 h THR 7 Ca -0.03 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.90 1jr5 h THR 7 Cb 0.49 1.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 1jr5 h THR 7 CO 0.05 0.00 -0.07 0.58 0.37 0.00 0.00 175.52 176.45 1jr5 h VAL 8 N 0.00 0.00 -1.12 3.16 2.07 0.55 -0.52 116.25 120.39 1jr5 h VAL 8 Ca 0.00 -0.64 0.31 0.00 0.82 0.00 0.00 66.70 67.19 1jr5 h VAL 8 Cb 0.29 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.96 1jr5 h VAL 8 CO 0.00 0.00 0.74 0.08 0.02 0.00 0.00 177.57 178.41 1jr5 h ARG 9 N -0.64 0.26 0.09 1.57 -0.00 -0.36 0.37 114.38 115.67 1jr5 h ARG 9 Ca 0.00 -0.02 -0.00 0.00 -0.00 0.00 0.00 59.98 59.96 1jr5 h ARG 9 Cb 0.07 -0.06 0.00 0.00 -0.00 0.00 0.00 29.97 29.98 1jr5 h ARG 9 CO 0.00 0.17 -0.05 1.05 -0.00 0.00 0.00 179.97 181.15 1jr5 h GLU 10 N 0.27 -0.12 -0.58 0.08 4.11 -1.33 -2.06 114.58 114.95 1jr5 h GLU 10 Ca 0.64 0.01 0.12 0.00 0.07 0.00 0.00 59.36 60.20 1jr5 h GLU 10 Cb 1.85 0.03 -0.11 0.00 0.50 0.00 0.00 28.75 31.02 1jr5 h GLU 10 CO -0.28 0.38 -0.14 0.82 0.07 0.00 0.00 179.01 179.86 1jr5 h ILE 11 N -0.89 0.42 0.79 -1.06 2.04 0.80 0.02 117.51 119.63 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 0.56 0.42 0.01 0.00 -0.74 0.00 0.00 36.82 37.07 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 0.00 0.00 -0.37 -0.67 3.07 -0.47 -1.43 117.51 117.65 1jr5 h ILE 12 Ca 0.28 -0.05 0.05 0.00 1.55 0.00 0.00 64.86 66.69 1jr5 h ILE 12 Cb 0.43 0.00 -0.08 0.00 -0.27 0.00 0.00 36.82 36.90 1jr5 h ILE 12 CO -0.59 0.00 -0.54 0.74 -1.05 0.00 0.00 178.15 176.70 1jr5 h THR 13 N -1.11 0.01 0.24 0.16 2.02 -0.98 0.12 112.91 113.38 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 0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.21 1jr5 h THR 13 CO 0.18 0.00 -0.40 -0.37 0.37 0.00 0.00 175.52 175.30 1jr5 h VAL 14 N -0.42 0.00 -0.48 3.16 -1.51 -1.05 0.67 116.25 116.62 1jr5 h VAL 14 Ca 0.07 0.00 0.14 0.00 -1.23 0.00 0.00 66.70 65.69 1jr5 h VAL 14 Cb 0.61 0.00 -0.02 0.00 -2.13 0.00 0.00 31.29 29.75 1jr5 h VAL 14 CO -0.57 0.00 0.50 0.00 -1.23 0.00 0.00 177.57 176.27 1jr5 h ALA 15 N -0.93 2.23 -0.00 5.19 0.00 -1.04 0.86 119.26 125.57 1jr5 h ALA 15 Ca -0.03 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.65 1jr5 h ALA 15 Cb 0.63 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1jr5 h ALA 15 CO -0.14 -0.75 -0.93 0.66 0.00 0.00 0.00 179.25 178.10 1jr5 h SER 16 N 0.00 0.48 -0.83 0.00 4.64 0.50 -1.43 113.55 116.91 1jr5 h SER 16 Ca 0.23 -0.39 0.04 0.00 -0.47 0.00 0.00 61.79 61.20 1jr5 h SER 16 Cb 1.22 -0.15 -0.05 0.00 -0.31 0.00 0.00 62.40 63.11 1jr5 h SER 16 CO -0.00 1.19 0.53 0.40 -0.87 0.00 0.00 176.83 178.08 1jr5 h ILE 17 N 0.21 1.12 0.17 0.95 2.04 0.29 0.49 117.51 122.78 1jr5 h ILE 17 Ca -0.07 -0.35 0.01 0.00 1.00 0.00 0.00 64.86 65.45 1jr5 h ILE 17 Cb 1.56 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 1jr5 h ILE 17 CO 0.16 0.19 -0.29 -0.07 0.00 0.00 0.00 178.15 178.14 1jr5 h LEU 18 N 1.03 -0.81 -1.92 1.44 3.38 -1.01 0.22 115.31 117.64 1jr5 h LEU 18 Ca 0.34 0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.43 1jr5 h LEU 18 Cb 0.03 0.30 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1jr5 h LEU 18 CO -0.12 -0.39 0.15 0.40 0.09 0.00 0.00 178.44 178.57 1jr5 h ILE 19 N -0.54 0.95 -0.01 1.22 2.04 -0.21 1.01 117.51 121.97 1jr5 h ILE 19 Ca 0.02 -0.04 -0.16 0.00 1.00 0.00 0.00 64.86 65.68 1jr5 h ILE 19 Cb 0.54 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 1jr5 h ILE 19 CO -0.13 0.02 -0.72 0.50 0.00 0.00 0.00 178.15 177.82 1jr5 h LYS 20 N 0.11 0.07 -0.92 2.37 3.11 0.14 -2.86 116.57 118.59 1jr5 h LYS 20 Ca 0.09 -0.06 -0.21 0.00 -2.81 0.00 0.00 60.65 57.66 1jr5 h LYS 20 Cb 0.24 0.01 -0.12 0.00 -1.00 0.00 0.00 32.23 31.36 1jr5 h LYS 20 CO -0.01 0.76 0.27 1.19 -2.81 0.00 0.00 179.45 178.84 1jr5 n PHE 21 N -3.72 1.65 -3.12 1.91 3.72 0.62 -4.83 117.46 113.69 1jr5 n PHE 21 Ca -0.02 -1.02 -0.23 0.00 -0.05 0.00 0.00 57.45 56.14 1jr5 n PHE 21 Cb 0.70 -0.56 0.03 0.00 -0.94 0.00 0.00 39.48 38.71 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 -0.20 -5.89 -1.39 4.37 2.88 -1.06 -4.88 113.62 107.44 1jr5 n SER 22 Ca 0.30 -0.32 -0.07 0.00 -1.33 0.00 0.00 58.87 57.44 1jr5 n SER 22 Cb 1.08 -4.76 0.20 0.00 -0.75 0.00 0.00 64.21 59.99 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 -4.10 2.08 0.34 -1.46 5.12 0.33 -4.63 116.66 114.34 1jr5 n ARG 23 Ca -0.09 -3.12 0.17 0.00 -1.93 0.00 0.00 57.85 52.88 1jr5 n ARG 23 Cb 0.61 -1.91 0.91 0.00 -1.16 0.00 0.00 32.46 30.91 1jr5 n ARG 23 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 1jr5 h GLU 24 N 1.13 0.00 -0.38 5.56 5.08 -1.80 0.45 114.58 124.63 1jr5 h GLU 24 Ca 0.29 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.58 1jr5 h GLU 24 Cb 1.92 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.15 1jr5 h GLU 24 CO 0.54 0.00 -0.07 -0.44 -1.00 0.00 0.00 179.01 178.03 1jr5 h ASP 25 N 0.00 0.62 0.58 1.42 5.19 -1.93 0.65 116.42 122.95 1jr5 h ASP 25 Ca 0.00 -0.16 -0.28 0.00 -0.62 0.00 0.00 57.03 55.98 1jr5 h ASP 25 Cb 0.51 -0.16 0.01 0.00 0.18 0.00 0.00 39.33 39.87 1jr5 h ASP 25 CO -0.00 0.73 -1.25 0.40 -3.12 0.00 0.00 179.24 176.01 1jr5 h ILE 26 N 0.59 1.48 0.00 0.35 2.04 -0.48 -3.21 117.51 118.27 1jr5 h ILE 26 Ca 0.11 -3.00 0.00 0.00 1.00 0.00 0.00 64.86 62.97 1jr5 h ILE 26 Cb 0.48 2.93 0.00 0.00 -0.74 0.00 0.00 36.82 39.49 1jr5 h ILE 26 CO 0.03 0.88 0.00 0.58 0.00 0.00 0.00 178.15 179.63 1jr5 h VAL 27 N 0.09 0.00 -0.01 1.67 2.07 -0.97 -2.30 116.25 116.80 1jr5 h VAL 27 Ca -0.14 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 66.72 1jr5 h VAL 27 Cb 1.97 1.63 0.00 0.00 -1.52 0.00 0.00 31.29 33.36 1jr5 h VAL 27 CO 0.21 0.00 -0.14 -0.62 0.02 0.00 0.00 177.57 177.03 1jr5 n GLU 28 N -2.78 1.23 -4.55 1.57 1.02 0.22 -4.78 120.64 112.57 1jr5 n GLU 28 Ca 0.03 -0.73 -0.21 0.00 -0.02 0.00 0.00 57.16 56.23 1jr5 n GLU 28 Cb 0.41 -1.48 -0.15 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 -2.28 1.46 0.14 1.62 3.84 -1.22 -4.78 114.94 113.73 1jr5 s ASN 29 Ca 0.30 -0.23 -0.18 0.00 0.21 0.00 0.00 52.86 52.97 1jr5 s ASN 29 Cb 0.20 -0.19 -0.01 0.00 -0.55 0.00 0.00 41.25 40.69 1jr5 s ASN 29 CO 0.44 0.14 1.77 0.03 -2.79 0.00 0.00 177.10 176.69 1jr5 h ARG 30 N 5.90 0.28 0.00 0.43 3.08 -1.86 0.16 114.38 122.38 1jr5 h ARG 30 Ca -0.33 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.71 1jr5 h ARG 30 Cb 1.17 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 31.15 1jr5 h ARG 30 CO 0.49 0.19 -0.02 0.00 -1.07 0.00 0.00 179.97 179.56 1jr5 h ALA 31 N 1.14 -0.02 -0.62 0.04 0.00 -1.96 0.40 119.26 118.24 1jr5 h ALA 31 Ca 0.11 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1jr5 h ALA 31 Cb 0.03 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1jr5 h ALA 31 CO -0.08 -0.52 0.21 -0.91 0.00 0.00 0.00 179.25 177.96 1jr5 h ASN 32 N -0.04 0.88 -0.21 0.00 2.35 -1.75 0.25 115.58 117.06 1jr5 h ASN 32 Ca 0.01 -0.19 -0.00 0.00 -0.55 0.00 0.00 56.30 55.56 1jr5 h ASN 32 Cb 0.05 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.18 1jr5 h ASN 32 CO -0.02 0.84 0.12 0.15 -1.65 0.00 0.00 177.43 176.86 1jr5 h PHE 33 N 0.88 0.30 -0.22 1.19 3.04 -0.08 0.49 116.94 122.53 1jr5 h PHE 33 Ca 0.20 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.13 1jr5 h PHE 33 Cb 0.26 -0.09 -0.01 0.00 2.56 0.00 0.00 35.95 38.66 1jr5 h PHE 33 CO 0.02 0.27 0.08 0.82 -2.02 0.00 0.00 178.31 177.48 1jr5 h ILE 34 N 0.24 1.18 -0.71 1.41 2.04 0.00 -1.33 117.51 120.34 1jr5 h ILE 34 Ca 0.08 -0.57 -0.00 0.00 1.00 0.00 0.00 64.86 65.36 1jr5 h ILE 34 Cb 0.08 1.14 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 1jr5 h ILE 34 CO -0.01 0.18 0.43 0.00 0.00 0.00 0.00 178.15 178.75 1jr5 h ALA 35 N 0.91 0.90 -0.49 1.87 0.00 -0.33 -0.02 119.26 122.09 1jr5 h ALA 35 Ca 0.07 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 54.99 1jr5 h ALA 35 Cb 0.21 -0.28 -0.07 0.00 0.00 0.00 0.00 17.79 17.65 1jr5 h ALA 35 CO -0.00 0.37 0.07 0.35 0.00 0.00 0.00 179.25 180.03 1jr5 h PHE 36 N 0.96 0.10 -0.28 0.00 3.57 0.27 0.58 116.94 122.14 1jr5 h PHE 36 Ca 0.25 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.73 1jr5 h PHE 36 Cb -0.04 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 1jr5 h PHE 36 CO -0.01 -0.04 -0.08 -0.07 -2.23 0.00 0.00 178.31 175.88 1jr5 h LEU 37 N 0.19 0.42 0.00 0.59 3.38 -0.63 -1.57 115.31 117.70 1jr5 h LEU 37 Ca 0.25 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1jr5 h LEU 37 Cb 0.35 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1jr5 h LEU 37 CO -0.35 0.55 -0.08 -3.20 0.09 0.00 0.00 178.44 175.44 1jr5 n ASN 38 N -4.25 0.53 -0.13 -0.43 5.15 0.43 -1.40 115.26 115.16 1jr5 n ASN 38 Ca 0.01 0.47 -0.27 0.00 -0.60 0.00 0.00 54.58 54.19 1jr5 n ASN 38 Cb 0.28 -0.56 -0.10 0.00 -0.53 0.00 0.00 39.78 38.86 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 -1.97 0.59 0.15 1.20 0.28 0.17 -4.48 120.64 116.59 1jr5 n GLU 39 Ca 0.06 0.23 0.03 0.00 -0.16 0.00 0.00 57.16 57.32 1jr5 n GLU 39 Cb 0.40 -1.48 0.40 0.00 1.43 0.00 0.00 31.44 32.19 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 -0.76 1.19 0.00 3.84 -2.65 -1.48 -3.47 117.51 114.18 1jr5 h ILE 40 Ca -0.67 -0.86 0.00 0.00 1.03 0.00 0.00 64.86 64.36 1jr5 h ILE 40 Cb 1.67 1.34 0.00 0.00 -2.05 0.00 0.00 36.82 37.77 1jr5 h ILE 40 CO -0.35 0.26 0.00 0.61 0.03 0.00 0.00 178.15 178.70 1jr5 n GLY 41 N -0.81 0.82 3.46 0.16 0.00 -1.22 -5.12 105.19 102.49 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 0.54 0.00 0.00 0.00 173.32 173.86 1jr5 s VAL 42 N -0.83 4.19 0.29 1.61 0.11 -0.50 -5.06 120.40 120.20 1jr5 s VAL 42 Ca 0.00 -0.22 0.02 0.00 -2.93 0.00 0.00 61.98 58.85 1jr5 s VAL 42 Cb 0.00 -2.93 -0.05 0.00 -1.53 0.00 0.00 36.38 31.87 1jr5 s VAL 42 CO 0.00 0.39 0.09 0.42 -3.33 0.00 0.00 175.10 172.67 1jr5 s THR 43 N 1.25 0.73 -0.02 5.04 -4.23 -1.26 -4.02 115.64 113.13 1jr5 s THR 43 Ca 0.04 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.59 1jr5 s THR 43 Cb -0.15 -2.67 0.05 0.00 1.34 0.00 0.00 72.50 71.08 1jr5 s THR 43 CO 0.02 0.00 0.86 1.57 -0.54 0.00 0.00 174.62 176.53 1jr5 n HIS 44 N -0.55 0.00 0.00 3.99 -0.00 -1.07 -4.85 115.22 112.74 1jr5 n HIS 44 Ca -0.01 -0.32 0.00 0.00 0.46 0.00 0.00 57.72 57.85 1jr5 n HIS 44 Cb 0.66 -0.05 0.00 0.00 -0.12 0.00 0.00 29.99 30.48 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 -0.40 0.00 -0.98 1.57 0.28 -1.26 -4.92 120.64 114.93 1jr5 n GLU 45 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.03 1jr5 n GLU 45 Cb 0.49 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.36 1jr5 n GLU 45 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1jr5 n GLY 46 N 0.00 0.56 3.07 -1.84 0.00 -1.26 -4.99 105.19 100.73 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 1.09 0.00 0.00 0.00 173.32 174.41 1jr5 s ARG 47 N -0.22 0.22 0.00 1.61 1.04 -1.26 -5.06 118.95 115.29 1jr5 s ARG 47 Ca 0.00 0.48 0.00 0.00 -1.04 0.00 0.00 55.73 55.17 1jr5 s ARG 47 Cb 0.00 -0.06 0.00 0.00 -2.04 0.00 0.00 34.95 32.85 1jr5 s ARG 47 CO 0.00 -0.13 0.00 0.36 -0.04 0.00 0.00 175.30 175.49 1jr5 n LYS 48 N 3.94 1.89 -5.10 3.89 0.00 -1.26 -2.61 118.16 118.92 1jr5 n LYS 48 Ca -0.23 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 57.76 1jr5 n LYS 48 Cb 0.54 0.00 -0.15 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 2.32 -0.15 -5.58 1.43 -1.26 -4.67 118.68 110.77 1jr5 s LEU 49 Ca 0.00 -0.42 -0.03 0.00 -1.03 0.00 0.00 54.13 52.65 1jr5 s LEU 49 Cb 0.00 -1.46 -0.24 0.00 0.03 0.00 0.00 46.19 44.53 1jr5 s LEU 49 CO 0.00 0.24 0.24 -3.20 0.23 0.00 0.00 176.35 173.86 1jr5 n ASN 50 N 3.00 1.95 0.00 2.29 2.85 -1.26 -4.66 115.26 119.43 1jr5 n ASN 50 Ca -0.18 0.14 0.00 0.00 -0.11 0.00 0.00 54.58 54.43 1jr5 n ASN 50 Cb 0.52 -0.65 0.00 0.00 1.24 0.00 0.00 39.78 40.89 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 -3.38 0.00 0.09 1.20 1.13 -1.26 -4.95 117.38 110.21 1jr5 n GLN 51 Ca -0.34 0.00 -0.20 0.00 -1.94 0.00 0.00 57.00 54.51 1jr5 n GLN 51 Cb 1.04 0.00 -0.15 0.00 0.11 0.00 0.00 30.24 31.24 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 0.57 0.00 1.08 -0.73 -1.99 -3.34 115.58 111.17 1jr5 h ASN 52 Ca 0.00 -0.74 0.00 0.00 1.87 0.00 0.00 56.30 57.43 1jr5 h ASN 52 Cb 0.00 -0.18 0.00 0.00 0.27 0.00 0.00 38.32 38.41 1jr5 h ASN 52 CO 0.00 1.61 0.00 -0.24 -0.37 0.00 0.00 177.43 178.43 1jr5 n SER 53 N -3.56 0.00 -0.22 1.15 2.88 -1.26 -0.05 113.62 112.55 1jr5 n SER 53 Ca -0.18 0.97 0.02 0.00 -1.33 0.00 0.00 58.87 58.35 1jr5 n SER 53 Cb 1.07 -0.47 0.12 0.00 -0.75 0.00 0.00 64.21 64.18 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 0.02 -0.71 0.66 3.04 -1.97 0.44 116.94 118.42 1jr5 h PHE 54 Ca 0.00 0.05 0.11 0.00 3.98 0.00 0.00 57.97 62.11 1jr5 h PHE 54 Cb 0.00 0.09 -0.08 0.00 2.56 0.00 0.00 35.95 38.52 1jr5 h PHE 54 CO -0.82 -0.16 0.31 0.00 -2.02 0.00 0.00 178.31 175.62 1jr5 h ARG 55 N 0.15 0.49 0.00 1.11 3.08 -1.27 0.38 114.38 118.31 1jr5 h ARG 55 Ca 0.35 -0.03 -0.16 0.00 0.07 0.00 0.00 59.98 60.21 1jr5 h ARG 55 Cb 0.58 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 1jr5 h ARG 55 CO -0.54 0.32 -0.75 0.87 -1.07 0.00 0.00 179.97 178.80 1jr5 h LYS 56 N 0.50 0.00 0.79 0.04 1.57 0.13 0.14 116.57 119.73 1jr5 h LYS 56 Ca 0.37 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.11 1jr5 h LYS 56 Cb 0.47 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.79 1jr5 h LYS 56 CO -0.33 0.75 -0.38 0.82 -0.57 0.00 0.00 179.45 179.74 1jr5 h ILE 57 N 0.00 0.00 -0.46 1.86 2.04 0.15 0.27 117.51 121.37 1jr5 h ILE 57 Ca -0.01 -0.03 -0.03 0.00 1.00 0.00 0.00 64.86 65.79 1jr5 h ILE 57 Cb 1.42 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 1jr5 h ILE 57 CO 0.10 0.00 0.15 0.58 0.00 0.00 0.00 178.15 178.98 1jr5 h VAL 58 N -1.10 1.18 -0.13 1.67 2.07 -0.38 0.85 116.25 120.42 1jr5 h VAL 58 Ca -0.11 -0.61 -0.04 0.00 0.82 0.00 0.00 66.70 66.75 1jr5 h VAL 58 Cb 0.82 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1jr5 h VAL 58 CO 0.18 0.23 -0.12 -1.28 0.02 0.00 0.00 177.57 176.60 1jr5 h SER 59 N 0.66 0.19 -0.40 0.57 0.87 -0.50 -1.80 113.55 113.12 1jr5 h SER 59 Ca 0.16 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1jr5 h SER 59 Cb 0.18 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 1jr5 h SER 59 CO -0.01 0.33 0.00 -0.62 -0.53 0.00 0.00 176.83 176.00 1jr5 n GLU 60 N -4.30 3.14 -3.19 2.24 1.02 0.92 -4.94 120.64 115.52 1jr5 n GLU 60 Ca -0.01 -2.55 -0.39 0.00 -0.02 0.00 0.00 57.16 54.19 1jr5 n GLU 60 Cb 0.25 -1.63 -0.06 0.00 -0.02 0.00 0.00 31.44 29.98 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 -1.84 4.17 0.40 -4.62 1.98 0.28 -4.97 118.68 114.09 1jr5 s LEU 61 Ca 0.37 0.79 0.08 0.00 -2.89 0.00 0.00 54.13 52.48 1jr5 s LEU 61 Cb 0.25 -2.80 -0.04 0.00 0.66 0.00 0.00 46.19 44.26 1jr5 s LEU 61 CO 0.16 -0.19 0.23 0.28 -1.89 0.00 0.00 176.35 174.94 1jr5 s THR 62 N 1.56 2.54 -0.63 3.68 -1.32 -1.26 -4.93 115.64 115.28 1jr5 s THR 62 Ca 0.27 -1.60 0.16 0.00 -1.21 0.00 0.00 61.69 59.31 1jr5 s THR 62 Cb -0.16 -3.00 0.16 0.00 -1.51 0.00 0.00 72.50 68.00 1jr5 s THR 62 CO 0.11 -0.03 1.49 0.00 -2.21 0.00 0.00 174.62 173.98 1jr5 n GLN 63 N -1.31 0.10 0.13 7.08 0.00 -1.26 -1.75 117.38 120.37 1jr5 n GLN 63 Ca -0.00 0.46 -0.23 0.00 0.00 0.00 0.00 57.00 57.23 1jr5 n GLN 63 Cb 0.63 -1.74 -0.15 0.00 0.00 0.00 0.00 30.24 28.98 1jr5 n GLN 63 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 1jr5 h GLU 64 N 0.00 0.48 -0.77 2.61 4.39 -1.98 -0.87 114.58 118.43 1jr5 h GLU 64 Ca 0.00 -0.82 0.06 0.00 0.34 0.00 0.00 59.36 58.94 1jr5 h GLU 64 Cb 0.17 0.30 -0.05 0.00 -0.10 0.00 0.00 28.75 29.07 1jr5 h GLU 64 CO 0.00 1.39 0.51 0.22 -1.16 0.00 0.00 179.01 179.97 1jr5 h ASP 65 N 0.13 0.76 -0.45 1.42 3.58 -1.74 0.32 116.42 120.44 1jr5 h ASP 65 Ca -0.26 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.09 1jr5 h ASP 65 Cb 2.14 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 43.01 1jr5 h ASP 65 CO 0.25 0.50 -0.12 0.50 -2.88 0.00 0.00 179.24 177.48 1jr5 h LYS 66 N 0.86 0.88 0.80 0.28 3.64 -1.43 -1.01 116.57 120.59 1jr5 h LYS 66 Ca 0.33 -0.34 -0.04 0.00 -1.27 0.00 0.00 60.65 59.33 1jr5 h LYS 66 Cb 0.19 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1jr5 h LYS 66 CO -0.11 0.98 -0.39 -0.22 -2.27 0.00 0.00 179.45 177.45 1jr5 h LYS 67 N 0.71 -1.04 -0.91 1.90 1.63 0.76 0.45 116.57 120.07 1jr5 h LYS 67 Ca 0.11 0.07 0.03 0.00 -0.85 0.00 0.00 60.65 60.02 1jr5 h LYS 67 Cb 0.67 0.24 -0.05 0.00 -0.60 0.00 0.00 32.23 32.48 1jr5 h LYS 67 CO 0.05 -0.69 0.59 1.15 -3.45 0.00 0.00 179.45 177.09 1jr5 h THR 68 N -1.08 1.15 0.00 1.00 2.02 -0.51 0.74 112.91 116.24 1jr5 h THR 68 Ca -0.11 -0.39 -0.04 0.00 0.77 0.00 0.00 66.41 66.64 1jr5 h THR 68 Cb 0.83 -0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 1jr5 h THR 68 CO 0.18 0.21 -0.19 0.17 0.37 0.00 0.00 175.52 176.25 1jr5 h LEU 69 N 1.14 0.00 -0.57 2.58 -0.00 -1.14 -2.86 115.31 114.46 1jr5 h LEU 69 Ca 0.36 0.00 -0.15 0.00 -0.00 0.00 0.00 57.88 58.09 1jr5 h LEU 69 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.65 1jr5 h LEU 69 CO -0.12 0.19 -0.70 0.40 -0.00 0.00 0.00 178.44 178.21 1jr5 h ILE 70 N 0.00 1.47 -1.26 0.15 2.04 1.00 0.28 117.51 121.19 1jr5 h ILE 70 Ca -0.00 -2.31 0.38 0.00 1.00 0.00 0.00 64.86 63.94 1jr5 h ILE 70 Cb 1.08 2.24 -0.11 0.00 -0.74 0.00 0.00 36.82 39.29 1jr5 h ILE 70 CO 0.02 0.67 0.83 -0.78 0.00 0.00 0.00 178.15 178.89 1jr5 h ASP 71 N 0.06 0.27 0.00 1.72 1.82 -0.65 0.27 116.42 119.91 1jr5 h ASP 71 Ca -0.01 0.10 -0.29 0.00 -0.39 0.00 0.00 57.03 56.44 1jr5 h ASP 71 Cb 1.24 0.08 -0.05 0.00 0.68 0.00 0.00 39.33 41.27 1jr5 h ASP 71 CO 0.10 -0.08 -2.10 -0.62 -1.61 0.00 0.00 179.24 174.93 1jr5 n GLU 72 N -4.59 0.82 -2.18 0.28 1.02 -1.16 -4.59 120.64 110.24 1jr5 n GLU 72 Ca 0.33 0.07 -0.39 0.00 -0.02 0.00 0.00 57.16 57.16 1jr5 n GLU 72 Cb 1.28 -1.39 0.00 0.00 -0.02 0.00 0.00 31.44 31.31 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 -2.91 2.59 0.00 -0.32 3.01 0.97 -4.90 117.46 115.91 1jr5 n PHE 73 Ca -0.32 -2.56 0.00 0.00 1.01 0.00 0.00 57.45 55.58 1jr5 n PHE 73 Cb 0.91 -1.46 0.00 0.00 -0.01 0.00 0.00 39.48 38.92 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 0.67 0.00 -0.28 4.37 3.02 0.74 -4.14 115.26 119.64 1jr5 n ASN 74 Ca 0.54 0.13 0.06 0.00 -0.03 0.00 0.00 54.58 55.29 1jr5 n ASN 74 Cb 0.28 0.00 0.13 0.00 -0.61 0.00 0.00 39.78 39.58 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 -0.25 2.27 -0.64 3.52 -0.00 -1.26 -4.63 120.64 119.64 1jr5 n GLU 75 Ca 0.00 -2.27 0.08 0.00 -0.00 0.00 0.00 57.16 54.97 1jr5 n GLU 75 Cb 0.00 -1.40 0.34 0.00 -0.00 0.00 0.00 31.44 30.38 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 -0.76 2.58 0.00 -1.84 0.00 -1.26 -4.20 105.19 99.71 1jr5 n GLY 76 Ca 0.12 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 0.88 0.00 0.64 1.61 -1.74 -1.26 -4.82 117.46 112.76 1jr5 n PHE 77 Ca 0.24 -0.03 0.07 0.00 -0.56 0.00 0.00 57.45 57.17 1jr5 n PHE 77 Cb 0.91 -0.00 0.35 0.00 1.52 0.00 0.00 39.48 42.26 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 0.14 -0.22 3.97 2.13 -1.26 -1.61 120.64 123.76 1jr5 n GLU 78 Ca 0.00 0.18 0.07 0.00 0.66 0.00 0.00 57.16 58.07 1jr5 n GLU 78 Cb 0.35 -1.50 0.11 0.00 0.27 0.00 0.00 31.44 30.66 1jr5 n GLU 78 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1jr5 n GLY 79 N -0.01 3.80 0.93 8.31 0.00 -1.26 -4.36 105.19 112.60 1jr5 n GLY 79 Ca 0.06 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.21 1jr5 n GLY 79 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1jr5 n VAL 80 N -1.05 0.00 0.17 1.61 3.14 -1.01 -4.13 118.33 117.06 1jr5 n VAL 80 Ca 0.12 0.00 0.03 0.00 -2.96 0.00 0.00 64.34 61.53 1jr5 n VAL 80 Cb 0.66 -0.72 0.31 0.00 -1.06 0.00 0.00 33.84 33.03 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 0.06 1.45 3.20 -1.59 -0.47 116.97 119.63 1jr5 h TYR 81 Ca 0.00 0.00 -0.30 0.00 3.14 0.00 0.00 58.73 61.57 1jr5 h TYR 81 Cb 0.51 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.75 1jr5 h TYR 81 CO 0.00 0.44 -1.63 0.00 -1.64 0.00 0.00 178.16 175.33 1jr5 h ARG 82 N 0.00 0.14 -0.50 1.82 2.47 -1.76 -3.35 114.38 113.20 1jr5 h ARG 82 Ca -0.00 -0.23 -0.07 0.00 -1.26 0.00 0.00 59.98 58.42 1jr5 h ARG 82 Cb 0.85 0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 29.24 1jr5 h ARG 82 CO 0.06 0.89 0.06 1.88 0.56 0.00 0.00 179.97 183.42 1jr5 h TYR 83 N 0.04 0.91 -0.16 3.04 -1.99 -1.65 -2.29 116.97 114.86 1jr5 h TYR 83 Ca -0.27 -0.14 0.05 0.00 2.00 0.00 0.00 58.73 60.37 1jr5 h TYR 83 Cb 1.99 -0.24 -0.01 0.00 2.00 0.00 0.00 36.73 40.47 1jr5 h TYR 83 CO 0.04 0.83 0.13 1.37 -0.00 0.00 0.00 178.16 180.53 1jr5 h LEU 84 N 0.72 0.00 0.18 3.88 8.10 -1.24 -1.81 115.31 125.14 1jr5 h LEU 84 Ca 0.15 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 58.13 1jr5 h LEU 84 Cb 0.43 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.66 1jr5 h LEU 84 CO 0.01 0.00 -0.08 -0.08 -4.11 0.00 0.00 178.44 174.18 1jr5 h GLU 85 N 0.00 -0.23 -0.79 0.17 4.81 -1.52 0.87 114.58 117.90 1jr5 h GLU 85 Ca 0.08 0.02 0.20 0.00 -0.13 0.00 0.00 59.36 59.52 1jr5 h GLU 85 Cb 0.33 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.72 1jr5 h GLU 85 CO -0.00 0.13 0.54 0.52 -0.73 0.00 0.00 179.01 179.47 1jr5 h MET 86 N -0.95 0.20 0.04 1.92 2.86 -1.13 1.01 114.93 118.87 1jr5 h MET 86 Ca -0.02 -0.01 -0.31 0.00 -2.06 0.00 0.00 59.70 57.30 1jr5 h MET 86 Cb 0.46 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.04 1jr5 h MET 86 CO 0.04 0.13 -1.74 1.88 1.06 0.00 0.00 176.91 178.29 1jr5 h TYR 87 N 0.21 0.15 -1.91 -0.22 0.05 -1.38 -3.43 116.97 110.44 1jr5 h TYR 87 Ca 0.39 -0.11 -0.39 0.00 0.05 0.00 0.00 58.73 58.67 1jr5 h TYR 87 Cb 1.22 -0.01 -0.30 0.00 1.01 0.00 0.00 36.73 38.65 1jr5 h TYR 87 CO -0.00 1.22 -0.73 0.95 -1.05 0.00 0.00 178.16 178.55 1jr5 s THR 88 N -2.59 -0.27 -0.24 -2.88 -4.23 0.30 -4.38 115.64 101.36 1jr5 s THR 88 Ca -0.09 -1.41 -0.04 0.00 -1.18 0.00 0.00 61.69 58.97 1jr5 s THR 88 Cb 0.08 -0.71 -0.00 0.00 1.34 0.00 0.00 72.50 73.20 1jr5 s THR 88 CO 0.81 -0.66 -0.02 0.54 -0.54 0.00 0.00 174.62 174.76 1jr5 s ASN 89 N 1.00 4.50 0.00 3.99 4.22 0.33 -3.78 114.94 125.19 1jr5 s ASN 89 Ca 0.23 -0.47 0.00 0.00 -2.14 0.00 0.00 52.86 50.48 1jr5 s ASN 89 Cb -0.09 -1.77 0.00 0.00 1.28 0.00 0.00 41.25 40.68 1jr5 s ASN 89 CO -0.07 -0.06 0.15 0.29 -2.04 0.00 0.00 177.10 175.38