#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 0.56 -4.33 7.83 2.85 -1.26 -4.87 115.26 116.04 1jr5 n ASN 2 Ca 0.00 -2.16 -0.17 0.00 -0.11 0.00 0.00 54.58 52.14 1jr5 n ASN 2 Cb 0.00 -0.26 -0.10 0.00 1.24 0.00 0.00 39.78 40.66 1jr5 n ASN 2 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 1jr5 s LYS 3 N -0.36 1.43 0.14 1.20 2.20 -1.26 -5.05 119.74 118.04 1jr5 s LYS 3 Ca 0.14 -1.77 -0.14 0.00 -0.36 0.00 0.00 55.97 53.84 1jr5 s LYS 3 Cb 0.16 -0.33 0.02 0.00 -1.51 0.00 0.00 37.83 36.17 1jr5 s LYS 3 CO -0.05 -0.28 1.66 -0.91 -0.36 0.00 0.00 175.35 175.41 1jr5 h ASN 4 N 2.37 0.70 -1.17 1.43 4.21 -1.95 -2.95 115.58 118.21 1jr5 h ASN 4 Ca -0.38 -0.22 0.41 0.00 1.21 0.00 0.00 56.30 57.31 1jr5 h ASN 4 Cb 1.25 -0.19 -0.14 0.00 -1.12 0.00 0.00 38.32 38.12 1jr5 h ASN 4 CO 0.62 0.74 0.72 -0.29 -1.29 0.00 0.00 177.43 177.92 1jr5 h ILE 5 N 0.64 0.13 0.21 2.81 2.10 -1.96 0.65 117.51 122.08 1jr5 h ILE 5 Ca 0.15 -0.04 -0.01 0.00 1.08 0.00 0.00 64.86 66.04 1jr5 h ILE 5 Cb 0.30 0.00 0.00 0.00 -1.09 0.00 0.00 36.82 36.03 1jr5 h ILE 5 CO -0.00 0.02 -0.10 0.44 -1.08 0.00 0.00 178.15 177.43 1jr5 h ASP 6 N 0.12 -0.24 0.15 2.19 3.32 -1.94 0.27 116.42 120.28 1jr5 h ASP 6 Ca 0.81 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.87 1jr5 h ASP 6 Cb 2.30 0.06 0.00 0.00 0.22 0.00 0.00 39.33 41.91 1jr5 h ASP 6 CO -0.54 -0.12 0.00 0.74 -1.72 0.00 0.00 179.24 177.60 1jr5 h THR 7 N -0.38 0.00 0.01 0.35 2.02 -1.47 -1.37 112.91 112.06 1jr5 h THR 7 Ca -0.03 -0.06 -0.00 0.00 0.77 0.00 0.00 66.41 67.09 1jr5 h THR 7 Cb 0.22 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 1jr5 h THR 7 CO 0.05 0.00 -0.00 0.58 0.37 0.00 0.00 175.52 176.51 1jr5 h VAL 8 N 0.00 0.00 -1.08 3.16 2.07 0.32 -0.06 116.25 120.65 1jr5 h VAL 8 Ca 0.00 -0.61 0.32 0.00 0.82 0.00 0.00 66.70 67.23 1jr5 h VAL 8 Cb 0.07 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.72 1jr5 h VAL 8 CO 0.00 0.00 0.66 0.03 0.02 0.00 0.00 177.57 178.28 1jr5 h ARG 9 N -0.62 0.32 0.08 1.57 3.08 -0.22 0.41 114.38 119.01 1jr5 h ARG 9 Ca -0.00 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 1jr5 h ARG 9 Cb 0.01 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1jr5 h ARG 9 CO 0.00 0.21 -0.04 1.05 -1.07 0.00 0.00 179.97 180.13 1jr5 h GLU 10 N 0.33 -0.10 -0.45 0.04 4.11 -1.36 -1.92 114.58 115.23 1jr5 h GLU 10 Ca 0.70 0.01 0.09 0.00 0.07 0.00 0.00 59.36 60.23 1jr5 h GLU 10 Cb 1.75 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 30.93 1jr5 h GLU 10 CO -0.46 0.43 -0.21 0.82 0.07 0.00 0.00 179.01 179.66 1jr5 h ILE 11 N -0.75 0.37 0.87 -1.06 2.04 0.14 0.15 117.51 119.28 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 0.58 0.37 0.01 0.00 -0.74 0.00 0.00 36.82 37.05 1jr5 h ILE 11 CO 0.02 0.00 -0.42 0.16 0.00 0.00 0.00 178.15 177.91 1jr5 h ILE 12 N -0.12 0.14 -0.12 -0.67 3.07 -0.43 -1.51 117.51 117.88 1jr5 h ILE 12 Ca 0.21 -0.01 0.02 0.00 1.55 0.00 0.00 64.86 66.64 1jr5 h ILE 12 Cb 0.45 0.14 -0.05 0.00 -0.27 0.00 0.00 36.82 37.10 1jr5 h ILE 12 CO -0.52 0.00 -0.38 0.74 -1.05 0.00 0.00 178.15 176.94 1jr5 h THR 13 N -1.18 0.00 -0.03 0.16 2.02 -0.87 0.55 112.91 113.56 1jr5 h THR 13 Ca -0.12 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.08 1jr5 h THR 13 Cb 0.90 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.26 1jr5 h THR 13 CO 0.20 0.00 -0.47 -0.37 0.37 0.00 0.00 175.52 175.24 1jr5 h VAL 14 N -0.39 0.00 -0.84 3.16 -1.51 -0.74 0.75 116.25 116.68 1jr5 h VAL 14 Ca 0.03 0.00 0.23 0.00 -1.23 0.00 0.00 66.70 65.73 1jr5 h VAL 14 Cb 0.46 0.00 -0.04 0.00 -2.13 0.00 0.00 31.29 29.58 1jr5 h VAL 14 CO -0.32 0.00 0.59 0.00 -1.23 0.00 0.00 177.57 176.62 1jr5 h ALA 15 N -0.53 2.65 -0.17 5.19 0.00 -1.13 0.88 119.26 126.15 1jr5 h ALA 15 Ca 0.01 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 1jr5 h ALA 15 Cb 0.62 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1jr5 h ALA 15 CO -0.33 -0.90 -0.52 0.66 0.00 0.00 0.00 179.25 178.15 1jr5 h SER 16 N 0.09 0.54 -0.62 0.00 4.64 0.86 -1.06 113.55 118.00 1jr5 h SER 16 Ca 0.41 -0.28 0.03 0.00 -0.47 0.00 0.00 61.79 61.49 1jr5 h SER 16 Cb 1.49 -0.15 -0.04 0.00 -0.31 0.00 0.00 62.40 63.38 1jr5 h SER 16 CO -0.04 0.96 0.37 0.40 -0.87 0.00 0.00 176.83 177.65 1jr5 h ILE 17 N 0.38 1.05 0.03 0.95 2.04 0.29 0.27 117.51 122.53 1jr5 h ILE 17 Ca 0.01 -0.25 0.03 0.00 1.00 0.00 0.00 64.86 65.65 1jr5 h ILE 17 Cb 1.04 0.26 -0.04 0.00 -0.74 0.00 0.00 36.82 37.35 1jr5 h ILE 17 CO 0.10 0.13 -0.24 -0.07 0.00 0.00 0.00 178.15 178.07 1jr5 h LEU 18 N 0.73 -0.69 -0.97 1.44 3.38 -0.79 0.56 115.31 118.97 1jr5 h LEU 18 Ca 0.26 0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.37 1jr5 h LEU 18 Cb 0.06 0.28 -0.06 0.00 0.09 0.00 0.00 40.66 41.02 1jr5 h LEU 18 CO -0.12 -0.31 0.63 -0.29 0.09 0.00 0.00 178.44 178.44 1jr5 h ILE 19 N -0.38 1.12 -0.11 1.22 2.10 -0.37 0.97 117.51 122.05 1jr5 h ILE 19 Ca 0.05 -0.40 -0.07 0.00 1.08 0.00 0.00 64.86 65.52 1jr5 h ILE 19 Cb 0.45 -0.16 -0.01 0.00 -1.09 0.00 0.00 36.82 36.01 1jr5 h ILE 19 CO -0.19 0.21 -0.27 0.50 -1.08 0.00 0.00 178.15 177.32 1jr5 h LYS 20 N 1.17 0.20 -0.91 2.19 3.64 0.22 -1.85 116.57 121.23 1jr5 h LYS 20 Ca 0.40 -0.07 -0.12 0.00 -1.27 0.00 0.00 60.65 59.60 1jr5 h LYS 20 Cb 0.09 -0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 31.82 1jr5 h LYS 20 CO -0.15 0.46 0.15 1.19 -2.27 0.00 0.00 179.45 178.83 1jr5 n PHE 21 N -4.16 1.16 -2.90 1.91 3.72 0.12 -4.83 117.46 112.49 1jr5 n PHE 21 Ca -0.01 -0.73 -0.22 0.00 -0.05 0.00 0.00 57.45 56.44 1jr5 n PHE 21 Cb 0.36 -0.43 0.03 0.00 -0.94 0.00 0.00 39.48 38.50 1jr5 n PHE 21 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1jr5 n SER 22 N 0.01 -6.10 -1.34 4.37 7.64 -0.70 -4.88 113.62 112.62 1jr5 n SER 22 Ca 0.20 -0.23 -0.06 0.00 1.01 0.00 0.00 58.87 59.78 1jr5 n SER 22 Cb 0.86 -4.96 0.21 0.00 -1.01 0.00 0.00 64.21 59.31 1jr5 n SER 22 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1jr5 n ARG 23 N -3.84 2.13 0.31 1.43 5.12 0.32 -4.64 116.66 117.49 1jr5 n ARG 23 Ca -0.14 -3.11 0.17 0.00 -1.93 0.00 0.00 57.85 52.84 1jr5 n ARG 23 Cb 0.63 -1.90 0.88 0.00 -1.16 0.00 0.00 32.46 30.92 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 1.18 0.00 -0.48 5.56 5.08 -1.77 0.42 114.58 124.56 1jr5 h GLU 24 Ca 0.26 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.58 1jr5 h GLU 24 Cb 1.87 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.09 1jr5 h GLU 24 CO 0.50 0.00 0.10 0.22 -1.00 0.00 0.00 179.01 178.83 1jr5 h ASP 25 N 0.00 0.68 0.54 1.42 1.82 -1.93 0.70 116.42 119.65 1jr5 h ASP 25 Ca 0.02 -0.12 -0.29 0.00 -0.39 0.00 0.00 57.03 56.25 1jr5 h ASP 25 Cb 0.58 -0.18 0.01 0.00 0.68 0.00 0.00 39.33 40.42 1jr5 h ASP 25 CO -0.00 0.69 -1.32 0.40 -1.61 0.00 0.00 179.24 177.40 1jr5 h ILE 26 N 0.71 1.43 0.00 2.25 2.04 -0.55 -3.25 117.51 120.13 1jr5 h ILE 26 Ca 0.16 -2.97 0.00 0.00 1.00 0.00 0.00 64.86 63.05 1jr5 h ILE 26 Cb 0.30 2.95 0.00 0.00 -0.74 0.00 0.00 36.82 39.33 1jr5 h ILE 26 CO 0.00 0.87 0.00 0.58 0.00 0.00 0.00 178.15 179.60 1jr5 h VAL 27 N 0.09 0.00 -0.01 1.67 2.07 -0.93 -2.38 116.25 116.76 1jr5 h VAL 27 Ca -0.17 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 66.78 1jr5 h VAL 27 Cb 2.02 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 33.31 1jr5 h VAL 27 CO 0.22 0.00 -0.25 -0.62 0.02 0.00 0.00 177.57 176.94 1jr5 n GLU 28 N -2.58 0.88 -4.56 1.57 1.02 0.24 -4.72 120.64 112.49 1jr5 n GLU 28 Ca 0.04 -0.52 -0.21 0.00 -0.02 0.00 0.00 57.16 56.44 1jr5 n GLU 28 Cb 0.40 -1.49 -0.15 0.00 -0.02 0.00 0.00 31.44 30.18 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 -2.48 1.49 0.17 1.62 2.47 -1.21 -4.67 114.94 112.33 1jr5 s ASN 29 Ca 0.25 -0.23 -0.13 0.00 0.42 0.00 0.00 52.86 53.17 1jr5 s ASN 29 Cb 0.19 -0.24 0.07 0.00 -1.45 0.00 0.00 41.25 39.83 1jr5 s ASN 29 CO 0.51 0.14 1.80 0.08 -3.72 0.00 0.00 177.10 175.91 1jr5 h ARG 30 N 5.98 0.78 -0.19 0.43 0.11 -1.80 0.20 114.38 119.89 1jr5 h ARG 30 Ca -0.33 -0.08 0.00 0.00 0.10 0.00 0.00 59.98 59.67 1jr5 h ARG 30 Cb 1.17 -0.16 -0.01 0.00 1.11 0.00 0.00 29.97 32.08 1jr5 h ARG 30 CO 0.49 0.58 0.12 0.00 0.10 0.00 0.00 179.97 181.26 1jr5 h ALA 31 N 1.16 0.24 -0.47 0.08 0.00 -1.92 0.44 119.26 118.79 1jr5 h ALA 31 Ca 0.20 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 1jr5 h ALA 31 Cb 0.01 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1jr5 h ALA 31 CO -0.04 -0.29 -0.06 -0.91 0.00 0.00 0.00 179.25 177.96 1jr5 h ASN 32 N 0.25 0.87 -0.70 0.00 2.35 -1.74 0.20 115.58 116.81 1jr5 h ASN 32 Ca 0.07 -0.34 -0.00 0.00 -0.55 0.00 0.00 56.30 55.48 1jr5 h ASN 32 Cb -0.03 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.07 1jr5 h ASN 32 CO -0.02 1.00 0.43 0.15 -1.65 0.00 0.00 177.43 177.35 1jr5 h PHE 33 N 0.73 0.92 -0.21 1.19 3.04 -0.06 0.57 116.94 123.12 1jr5 h PHE 33 Ca 0.13 0.00 -0.08 0.00 3.98 0.00 0.00 57.97 61.99 1jr5 h PHE 33 Cb 0.59 -0.30 -0.00 0.00 2.56 0.00 0.00 35.95 38.79 1jr5 h PHE 33 CO 0.04 0.62 -0.20 0.82 -2.02 0.00 0.00 178.31 177.57 1jr5 h ILE 34 N 0.96 1.32 -0.35 1.41 2.04 0.07 -1.55 117.51 121.41 1jr5 h ILE 34 Ca 0.25 -1.35 -0.03 0.00 1.00 0.00 0.00 64.86 64.73 1jr5 h ILE 34 Cb -0.04 1.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.75 1jr5 h ILE 34 CO -0.05 0.41 0.08 0.00 0.00 0.00 0.00 178.15 178.60 1jr5 h ALA 35 N 0.66 1.49 0.58 1.87 0.00 -0.27 0.51 119.26 124.10 1jr5 h ALA 35 Ca 0.03 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1jr5 h ALA 35 Cb 0.74 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.38 1jr5 h ALA 35 CO 0.05 0.38 -0.28 0.35 0.00 0.00 0.00 179.25 179.75 1jr5 h PHE 36 N 0.51 -0.72 -0.20 0.00 3.57 0.35 0.56 116.94 121.01 1jr5 h PHE 36 Ca 0.12 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.64 1jr5 h PHE 36 Cb 0.20 0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 1jr5 h PHE 36 CO 0.01 -0.42 0.14 -0.07 -2.23 0.00 0.00 178.31 175.74 1jr5 h LEU 37 N -0.85 0.09 0.00 0.59 3.38 -0.94 -0.41 115.31 117.16 1jr5 h LEU 37 Ca -0.08 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1jr5 h LEU 37 Cb 0.63 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1jr5 h LEU 37 CO 0.13 0.06 -0.40 -1.13 0.09 0.00 0.00 178.44 177.19 1jr5 h ASN 38 N 0.10 0.00 0.21 -0.43 -1.24 -0.40 -0.65 115.58 113.17 1jr5 h ASN 38 Ca 0.09 -0.04 -0.35 0.00 0.71 0.00 0.00 56.30 56.71 1jr5 h ASN 38 Cb 0.23 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.24 1jr5 h ASN 38 CO -0.01 0.02 -2.02 -1.84 -1.29 0.00 0.00 177.43 172.29 1jr5 n GLU 39 N -2.64 0.69 0.07 6.67 0.28 0.19 -4.35 120.64 121.55 1jr5 n GLU 39 Ca 0.03 0.23 -0.09 0.00 -0.16 0.00 0.00 57.16 57.16 1jr5 n GLU 39 Cb 0.50 -1.69 -0.13 0.00 1.43 0.00 0.00 31.44 31.56 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 0.03 1.66 0.00 3.84 -2.65 -1.47 -3.48 117.51 115.44 1jr5 h ILE 40 Ca -0.42 -3.33 0.00 0.00 1.03 0.00 0.00 64.86 62.14 1jr5 h ILE 40 Cb 2.04 2.88 0.00 0.00 -2.05 0.00 0.00 36.82 39.68 1jr5 h ILE 40 CO 0.05 0.96 0.00 0.61 0.03 0.00 0.00 178.15 179.80 1jr5 n GLY 41 N 1.40 1.13 3.86 0.16 0.00 -1.22 -5.13 105.19 105.39 1jr5 n GLY 41 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.00 5.31 0.31 1.61 1.01 -0.25 -5.06 120.40 121.33 1jr5 s VAL 42 Ca 0.00 0.02 -0.06 0.00 0.00 0.00 0.00 61.98 61.94 1jr5 s VAL 42 Cb 0.00 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 33.03 1jr5 s VAL 42 CO 0.00 0.52 0.48 0.42 0.00 0.00 0.00 175.10 176.52 1jr5 s THR 43 N -1.10 0.00 -0.04 3.92 -4.23 -1.26 -3.87 115.64 109.06 1jr5 s THR 43 Ca 0.19 -1.53 0.06 0.00 -1.18 0.00 0.00 61.69 59.23 1jr5 s THR 43 Cb -0.12 -2.53 0.09 0.00 1.34 0.00 0.00 72.50 71.28 1jr5 s THR 43 CO 0.08 0.00 0.96 1.57 -0.54 0.00 0.00 174.62 176.69 1jr5 n HIS 44 N -0.49 0.00 0.00 3.99 -0.00 -1.10 -4.64 115.22 112.97 1jr5 n HIS 44 Ca -0.00 -0.39 0.00 0.00 0.46 0.00 0.00 57.72 57.79 1jr5 n HIS 44 Cb 0.62 -0.07 0.00 0.00 -0.12 0.00 0.00 29.99 30.42 1jr5 n HIS 44 CO 0.00 0.00 0.00 -0.85 0.46 0.00 0.00 176.34 175.95 1jr5 n GLU 45 N -0.52 0.00 -0.99 1.57 0.28 -1.26 -4.91 120.64 114.81 1jr5 n GLU 45 Ca 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.05 1jr5 n GLU 45 Cb 0.58 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.45 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 3.11 -1.84 0.00 -1.26 -4.98 105.19 100.59 1jr5 n GLY 46 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1jr5 n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jr5 s ARG 47 N -0.61 0.26 0.00 1.61 1.81 -1.26 -5.05 118.95 115.71 1jr5 s ARG 47 Ca 0.00 0.59 0.00 0.00 -1.72 0.00 0.00 55.73 54.60 1jr5 s ARG 47 Cb 0.00 -0.09 0.00 0.00 -0.45 0.00 0.00 34.95 34.41 1jr5 s ARG 47 CO 0.00 -0.16 0.00 0.36 -0.68 0.00 0.00 175.30 174.82 1jr5 n LYS 48 N 4.19 3.07 -4.44 3.54 -0.00 -1.25 -2.71 118.16 120.56 1jr5 n LYS 48 Ca -0.24 0.00 -0.20 0.00 -0.00 0.00 0.00 58.31 57.86 1jr5 n LYS 48 Cb 0.54 0.00 -0.15 0.00 -0.00 0.00 0.00 35.03 35.41 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 1.87 -0.07 -5.58 1.43 -1.26 -4.66 118.68 110.41 1jr5 s LEU 49 Ca 0.00 -0.20 -0.12 0.00 -1.03 0.00 0.00 54.13 52.78 1jr5 s LEU 49 Cb 0.00 -0.57 -0.30 0.00 0.03 0.00 0.00 46.19 45.35 1jr5 s LEU 49 CO 0.00 0.09 0.63 0.78 0.23 0.00 0.00 176.35 178.08 1jr5 h ASN 50 N 6.22 0.55 0.00 2.29 2.35 -1.96 -3.45 115.58 121.58 1jr5 h ASN 50 Ca -0.33 -0.92 0.00 0.00 -0.55 0.00 0.00 56.30 54.50 1jr5 h ASN 50 Cb 1.17 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 39.36 1jr5 h ASN 50 CO 0.49 1.74 0.00 0.00 -1.65 0.00 0.00 177.43 178.01 1jr5 n GLN 51 N -3.69 0.00 -0.09 0.81 1.13 -1.26 -4.97 117.38 109.31 1jr5 n GLN 51 Ca -0.25 0.00 -0.18 0.00 -1.94 0.00 0.00 57.00 54.63 1jr5 n GLN 51 Cb 1.02 0.00 -0.11 0.00 0.11 0.00 0.00 30.24 31.26 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 0.00 -0.41 1.08 -1.24 -2.01 -3.39 115.58 109.62 1jr5 h ASN 52 Ca 0.00 -0.61 0.04 0.00 0.71 0.00 0.00 56.30 56.43 1jr5 h ASN 52 Cb 0.00 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.00 1jr5 h ASN 52 CO 0.00 1.27 -0.24 -1.54 -1.29 0.00 0.00 177.43 175.63 1jr5 n SER 53 N -4.51 -0.43 -0.40 1.15 3.41 -1.26 -2.09 113.62 109.49 1jr5 n SER 53 Ca -0.23 1.30 -0.11 0.00 -0.26 0.00 0.00 58.87 59.57 1jr5 n SER 53 Cb 0.58 -0.38 -0.10 0.00 -0.26 0.00 0.00 64.21 64.05 1jr5 n SER 53 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1jr5 h PHE 54 N 0.00 -1.84 -0.85 7.33 3.04 -1.96 0.61 116.94 123.28 1jr5 h PHE 54 Ca 0.07 0.13 0.22 0.00 3.98 0.00 0.00 57.97 62.36 1jr5 h PHE 54 Cb 0.17 0.93 -0.05 0.00 2.56 0.00 0.00 35.95 39.56 1jr5 h PHE 54 CO -0.96 -0.36 0.58 0.00 -2.02 0.00 0.00 178.31 175.55 1jr5 h ARG 55 N -0.01 0.20 0.00 1.11 3.08 -1.61 0.58 114.38 117.74 1jr5 h ARG 55 Ca 0.15 -0.01 -0.17 0.00 0.07 0.00 0.00 59.98 60.03 1jr5 h ARG 55 Cb 0.40 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 1jr5 h ARG 55 CO -0.91 0.13 -0.87 0.87 -1.07 0.00 0.00 179.97 178.12 1jr5 h LYS 56 N 0.21 0.00 0.21 0.04 1.57 0.54 -0.22 116.57 118.91 1jr5 h LYS 56 Ca 0.42 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.20 1jr5 h LYS 56 Cb 1.33 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.64 1jr5 h LYS 56 CO -0.09 0.67 -0.12 0.97 -0.57 0.00 0.00 179.45 180.31 1jr5 h ILE 57 N 0.00 0.74 -0.15 1.86 2.10 0.47 0.91 117.51 123.44 1jr5 h ILE 57 Ca -0.04 0.00 -0.12 0.00 1.08 0.00 0.00 64.86 65.78 1jr5 h ILE 57 Cb 1.60 0.74 0.00 0.00 -1.09 0.00 0.00 36.82 38.07 1jr5 h ILE 57 CO 0.09 0.00 -0.36 -0.37 -1.08 0.00 0.00 178.15 176.43 1jr5 h VAL 58 N -0.32 1.36 -0.06 2.19 -1.51 -1.32 0.54 116.25 117.12 1jr5 h VAL 58 Ca -0.02 -1.64 0.02 0.00 -1.23 0.00 0.00 66.70 63.83 1jr5 h VAL 58 Cb 0.26 2.02 -0.00 0.00 -2.13 0.00 0.00 31.29 31.44 1jr5 h VAL 58 CO 0.02 0.49 0.07 -1.28 -1.23 0.00 0.00 177.57 175.64 1jr5 h SER 59 N 0.13 0.00 -0.48 4.19 0.87 -0.84 0.26 113.55 117.68 1jr5 h SER 59 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1jr5 h SER 59 Cb 0.97 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.93 1jr5 h SER 59 CO 0.08 0.00 0.00 -0.62 -0.53 0.00 0.00 176.83 175.76 1jr5 n GLU 60 N -3.96 3.14 -3.31 2.24 -0.58 0.31 -4.94 120.64 113.55 1jr5 n GLU 60 Ca -0.01 -2.54 -0.38 0.00 -0.42 0.00 0.00 57.16 53.80 1jr5 n GLU 60 Cb 0.16 -1.61 -0.06 0.00 -0.57 0.00 0.00 31.44 29.37 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 -1.60 4.40 0.35 -4.62 1.98 0.91 -4.98 118.68 115.11 1jr5 s LEU 61 Ca 0.39 1.02 0.08 0.00 -2.89 0.00 0.00 54.13 52.74 1jr5 s LEU 61 Cb 0.24 -2.78 -0.05 0.00 0.66 0.00 0.00 46.19 44.27 1jr5 s LEU 61 CO 0.20 0.14 0.11 0.28 -1.89 0.00 0.00 176.35 175.19 1jr5 s THR 62 N -0.24 2.87 -0.51 3.68 -1.32 -1.26 -4.96 115.64 113.90 1jr5 s THR 62 Ca 0.28 -1.76 0.18 0.00 -1.21 0.00 0.00 61.69 59.17 1jr5 s THR 62 Cb -0.17 -2.93 0.18 0.00 -1.51 0.00 0.00 72.50 68.07 1jr5 s THR 62 CO 0.14 -0.17 1.55 0.00 -2.21 0.00 0.00 174.62 173.93 1jr5 n GLN 63 N -1.11 0.12 0.10 7.08 0.00 -1.26 -1.63 117.38 120.68 1jr5 n GLN 63 Ca -0.03 0.50 -0.21 0.00 0.00 0.00 0.00 57.00 57.26 1jr5 n GLN 63 Cb 0.62 -1.81 -0.15 0.00 0.00 0.00 0.00 30.24 28.90 1jr5 n GLN 63 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.06 178.11 1jr5 h GLU 64 N 0.00 0.39 -0.35 2.61 4.11 -1.98 -1.16 114.58 118.20 1jr5 h GLU 64 Ca 0.00 -0.67 0.02 0.00 0.07 0.00 0.00 59.36 58.78 1jr5 h GLU 64 Cb 0.15 0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1jr5 h GLU 64 CO 0.00 1.30 0.24 0.22 0.07 0.00 0.00 179.01 180.83 1jr5 h ASP 65 N 0.11 0.35 -0.13 3.06 1.82 -1.70 0.34 116.42 120.26 1jr5 h ASP 65 Ca -0.26 -0.01 -0.11 0.00 -0.39 0.00 0.00 57.03 56.26 1jr5 h ASP 65 Cb 2.09 -0.08 0.00 0.00 0.68 0.00 0.00 39.33 42.02 1jr5 h ASP 65 CO 0.21 0.24 -0.35 0.50 -1.61 0.00 0.00 179.24 178.23 1jr5 h LYS 66 N 0.41 0.47 -0.49 0.28 3.64 -1.43 -0.87 116.57 118.57 1jr5 h LYS 66 Ca 0.14 -0.33 -0.05 0.00 -1.27 0.00 0.00 60.65 59.14 1jr5 h LYS 66 Cb 0.06 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 1jr5 h LYS 66 CO -0.03 0.95 0.10 -0.22 -2.27 0.00 0.00 179.45 177.97 1jr5 h LYS 67 N 0.06 0.79 -0.45 1.90 3.11 -0.02 0.41 116.57 122.37 1jr5 h LYS 67 Ca -0.01 -0.20 -0.09 0.00 -2.81 0.00 0.00 60.65 57.54 1jr5 h LYS 67 Cb 0.97 -0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 32.09 1jr5 h LYS 67 CO 0.08 0.78 -0.08 1.15 -2.81 0.00 0.00 179.45 178.57 1jr5 h THR 68 N 0.67 1.27 0.00 1.00 2.02 -0.40 -0.18 112.91 117.29 1jr5 h THR 68 Ca 0.15 -1.18 -0.04 0.00 0.77 0.00 0.00 66.41 66.11 1jr5 h THR 68 Cb 0.36 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 1jr5 h THR 68 CO 0.01 0.40 -0.20 0.17 0.37 0.00 0.00 175.52 176.27 1jr5 h LEU 69 N 0.68 0.00 -0.54 2.58 -0.00 -1.08 -2.87 115.31 114.07 1jr5 h LEU 69 Ca 0.12 0.00 -0.16 0.00 -0.00 0.00 0.00 57.88 57.84 1jr5 h LEU 69 Cb 0.61 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.26 1jr5 h LEU 69 CO 0.04 0.20 -0.59 0.40 -0.00 0.00 0.00 178.44 178.49 1jr5 h ILE 70 N 0.00 1.34 -1.48 0.15 2.04 0.09 0.48 117.51 120.13 1jr5 h ILE 70 Ca -0.00 -1.88 0.46 0.00 1.00 0.00 0.00 64.86 64.44 1jr5 h ILE 70 Cb 1.09 1.88 -0.11 0.00 -0.74 0.00 0.00 36.82 38.94 1jr5 h ILE 70 CO 0.03 0.57 1.00 -0.78 0.00 0.00 0.00 178.15 178.97 1jr5 h ASP 71 N 0.34 0.16 0.00 1.72 3.58 -0.79 0.46 116.42 121.88 1jr5 h ASP 71 Ca -0.00 0.09 -0.27 0.00 0.42 0.00 0.00 57.03 57.26 1jr5 h ASP 71 Cb 1.12 0.08 -0.05 0.00 1.72 0.00 0.00 39.33 42.20 1jr5 h ASP 71 CO 0.10 -0.12 -2.03 -0.62 -2.88 0.00 0.00 179.24 173.69 1jr5 n GLU 72 N -4.45 0.66 -2.33 0.28 4.71 -1.11 -4.61 120.64 113.79 1jr5 n GLU 72 Ca 0.38 0.09 -0.40 0.00 -0.01 0.00 0.00 57.16 57.22 1jr5 n GLU 72 Cb 1.57 -1.37 0.01 0.00 -1.01 0.00 0.00 31.44 30.64 1jr5 n GLU 72 CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 177.13 178.41 1jr5 n PHE 73 N -2.95 2.68 0.00 -0.32 3.01 0.17 -4.91 117.46 115.13 1jr5 n PHE 73 Ca -0.31 -2.61 0.00 0.00 1.01 0.00 0.00 57.45 55.54 1jr5 n PHE 73 Cb 0.87 -1.42 0.00 0.00 -0.01 0.00 0.00 39.48 38.91 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 0.56 0.00 -0.37 4.37 5.03 0.13 -4.02 115.26 120.96 1jr5 n ASN 74 Ca 0.53 0.18 0.07 0.00 0.87 0.00 0.00 54.58 56.22 1jr5 n ASN 74 Cb 0.26 0.00 0.14 0.00 -1.02 0.00 0.00 39.78 39.17 1jr5 n ASN 74 CO 0.00 0.00 0.00 -1.84 -1.83 0.00 0.00 177.26 173.59 1jr5 n GLU 75 N -0.36 2.37 -0.44 3.52 0.28 -1.26 -4.61 120.64 120.14 1jr5 n GLU 75 Ca 0.00 -2.32 0.09 0.00 -0.16 0.00 0.00 57.16 54.77 1jr5 n GLU 75 Cb 0.00 -1.44 0.29 0.00 1.43 0.00 0.00 31.44 31.72 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 -0.66 2.13 0.00 -1.84 0.00 -1.26 -4.19 105.19 99.37 1jr5 n GLY 76 Ca 0.13 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 1.08 0.00 0.86 1.61 -1.74 -1.26 -4.80 117.46 113.21 1jr5 n PHE 77 Ca 0.21 -0.05 0.08 0.00 -0.56 0.00 0.00 57.45 57.14 1jr5 n PHE 77 Cb 0.67 -0.00 0.45 0.00 1.52 0.00 0.00 39.48 42.11 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 -0.05 0.30 -0.20 3.97 2.13 -1.26 -1.87 120.64 123.66 1jr5 n GLU 78 Ca 0.00 0.10 0.05 0.00 0.66 0.00 0.00 57.16 57.97 1jr5 n GLU 78 Cb 0.31 -1.50 0.07 0.00 0.27 0.00 0.00 31.44 30.59 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 0.14 2.78 0.89 8.31 0.00 -1.26 -4.44 105.19 111.61 1jr5 n GLY 79 Ca 0.09 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.79 0.00 0.20 1.61 3.14 -1.05 -4.25 118.33 117.19 1jr5 n VAL 80 Ca 0.08 0.00 0.07 0.00 -2.96 0.00 0.00 64.34 61.53 1jr5 n VAL 80 Cb 0.61 -0.83 0.39 0.00 -1.06 0.00 0.00 33.84 32.95 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 -1.68 -1.83 116.97 118.11 1jr5 h TYR 81 Ca 0.00 0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.75 1jr5 h TYR 81 Cb 0.62 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.87 1jr5 h TYR 81 CO 0.00 0.33 -0.81 0.00 -1.64 0.00 0.00 178.16 176.04 1jr5 h ARG 82 N 0.00 0.00 0.13 1.82 2.47 -1.78 -3.25 114.38 113.77 1jr5 h ARG 82 Ca -0.00 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 1jr5 h ARG 82 Cb 0.82 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.14 1jr5 h ARG 82 CO 0.04 0.43 -0.06 1.88 0.56 0.00 0.00 179.97 182.83 1jr5 h TYR 83 N 0.00 -0.16 -0.01 3.04 -1.99 -1.54 -2.74 116.97 113.57 1jr5 h TYR 83 Ca -0.05 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.68 1jr5 h TYR 83 Cb 1.45 0.05 -0.00 0.00 2.00 0.00 0.00 36.73 40.23 1jr5 h TYR 83 CO 0.00 0.21 0.04 1.37 -0.00 0.00 0.00 178.16 179.78 1jr5 h LEU 84 N -0.56 0.00 -0.39 3.88 -0.00 -1.50 0.16 115.31 116.90 1jr5 h LEU 84 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.86 1jr5 h LEU 84 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.10 1jr5 h LEU 84 CO 0.03 0.00 0.00 -0.08 -0.00 0.00 0.00 178.44 178.39 1jr5 h GLU 85 N 0.00 0.00 0.00 0.17 4.81 -1.52 -0.94 114.58 117.10 1jr5 h GLU 85 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1jr5 h GLU 85 Cb 0.08 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.46 1jr5 h GLU 85 CO -0.00 0.00 -0.94 -1.33 -0.73 0.00 0.00 179.01 176.01 1jr5 n MET 86 N -2.33 2.13 0.04 1.92 0.00 0.32 -4.31 117.12 114.88 1jr5 n MET 86 Ca 0.04 0.00 0.12 0.00 0.00 0.00 0.00 57.70 57.86 1jr5 n MET 86 Cb 0.34 -0.97 0.23 0.00 0.00 0.00 0.00 33.22 32.82 1jr5 n MET 86 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 1jr5 n TYR 87 N -1.68 0.36 0.00 2.03 4.01 0.23 -4.72 117.16 117.39 1jr5 n TYR 87 Ca 0.00 0.10 0.00 0.00 -0.16 0.00 0.00 57.90 57.84 1jr5 n TYR 87 Cb 0.25 -0.53 0.00 0.00 -0.31 0.00 0.00 39.34 38.75 1jr5 n TYR 87 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 1jr5 n THR 88 N -1.88 0.00 -1.27 -0.72 5.66 -1.19 -2.64 114.28 112.23 1jr5 n THR 88 Ca 0.04 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.67 1jr5 n THR 88 Cb 0.40 -0.10 0.04 0.00 -1.55 0.00 0.00 70.33 69.12 1jr5 n THR 88 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1jr5 n ASN 89 N -1.90 -2.54 -0.48 1.09 4.05 -0.36 -4.87 115.26 110.24 1jr5 n ASN 89 Ca 0.00 0.60 0.14 0.00 0.45 0.00 0.00 54.58 55.77 1jr5 n ASN 89 Cb 0.00 -1.03 0.53 0.00 1.23 0.00 0.00 39.78 40.50 1jr5 n ASN 89 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50