#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 0.97 -4.63 6.12 4.13 -1.26 -5.00 115.26 115.59 1jr5 n ASN 2 Ca 0.00 -2.22 -0.30 0.00 1.68 0.00 0.00 54.58 53.74 1jr5 n ASN 2 Cb 0.00 -0.31 -0.09 0.00 -1.54 0.00 0.00 39.78 37.83 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 -0.39 2.04 0.14 3.52 2.20 -1.26 -5.05 119.74 120.95 1jr5 s LYS 3 Ca 0.30 -2.24 -0.17 0.00 -0.36 0.00 0.00 55.97 53.50 1jr5 s LYS 3 Cb 0.34 -1.45 0.01 0.00 -1.51 0.00 0.00 37.83 35.22 1jr5 s LYS 3 CO -0.13 -0.24 1.78 -0.91 -0.36 0.00 0.00 175.35 175.49 1jr5 h ASN 4 N 1.61 0.27 -1.36 1.43 4.21 -1.94 -2.42 115.58 117.38 1jr5 h ASN 4 Ca -0.43 0.01 0.46 0.00 1.21 0.00 0.00 56.30 57.55 1jr5 h ASN 4 Cb 1.28 -0.04 -0.13 0.00 -1.12 0.00 0.00 38.32 38.30 1jr5 h ASN 4 CO 0.75 0.20 0.87 -0.29 -1.29 0.00 0.00 177.43 177.67 1jr5 h ILE 5 N 0.35 0.07 0.10 2.81 2.10 -1.96 0.54 117.51 121.53 1jr5 h ILE 5 Ca 0.13 -0.02 -0.01 0.00 1.08 0.00 0.00 64.86 66.05 1jr5 h ILE 5 Cb 0.03 0.01 0.00 0.00 -1.09 0.00 0.00 36.82 35.77 1jr5 h ILE 5 CO -0.08 0.01 -0.05 0.44 -1.08 0.00 0.00 178.15 177.39 1jr5 h ASP 6 N 0.05 -0.12 0.12 2.19 3.32 -1.82 0.29 116.42 120.45 1jr5 h ASP 6 Ca 0.85 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.91 1jr5 h ASP 6 Cb 2.71 0.03 0.00 0.00 0.22 0.00 0.00 39.33 42.29 1jr5 h ASP 6 CO -0.44 -0.05 0.00 0.74 -1.72 0.00 0.00 179.24 177.77 1jr5 h THR 7 N -0.21 0.00 0.01 0.35 2.02 -1.45 -1.23 112.91 112.40 1jr5 h THR 7 Ca -0.01 -0.05 -0.00 0.00 0.77 0.00 0.00 66.41 67.11 1jr5 h THR 7 Cb 0.11 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 1jr5 h THR 7 CO 0.02 0.00 -0.00 0.58 0.37 0.00 0.00 175.52 176.49 1jr5 h VAL 8 N 0.00 0.00 -1.04 3.16 2.07 0.09 -0.01 116.25 120.51 1jr5 h VAL 8 Ca 0.00 -0.92 0.27 0.00 0.82 0.00 0.00 66.70 66.87 1jr5 h VAL 8 Cb 0.06 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 29.72 1jr5 h VAL 8 CO 0.00 0.00 0.65 0.08 0.02 0.00 0.00 177.57 178.32 1jr5 h ARG 9 N -0.94 0.42 0.27 1.57 -0.00 -0.03 0.28 114.38 115.96 1jr5 h ARG 9 Ca -0.00 -0.03 -0.01 0.00 -0.00 0.00 0.00 59.98 59.94 1jr5 h ARG 9 Cb 0.01 -0.09 0.00 0.00 -0.00 0.00 0.00 29.97 29.89 1jr5 h ARG 9 CO 0.00 0.28 -0.13 1.05 -0.00 0.00 0.00 179.97 181.17 1jr5 h GLU 10 N 0.43 -0.35 -0.73 0.08 4.11 -1.33 -2.03 114.58 114.76 1jr5 h GLU 10 Ca 0.63 0.02 0.16 0.00 0.07 0.00 0.00 59.36 60.24 1jr5 h GLU 10 Cb 1.49 0.08 -0.13 0.00 0.50 0.00 0.00 28.75 30.69 1jr5 h GLU 10 CO -0.37 -0.04 -0.09 0.82 0.07 0.00 0.00 179.01 179.40 1jr5 h ILE 11 N -0.98 0.31 0.68 -1.06 2.04 0.61 0.42 117.51 119.53 1jr5 h ILE 11 Ca -0.04 -0.02 -0.03 0.00 1.00 0.00 0.00 64.86 65.77 1jr5 h ILE 11 Cb 0.47 0.26 0.01 0.00 -0.74 0.00 0.00 36.82 36.82 1jr5 h ILE 11 CO 0.06 0.01 -0.33 0.16 0.00 0.00 0.00 178.15 178.05 1jr5 h ILE 12 N 0.05 0.00 -0.08 -0.67 3.07 -0.59 -1.63 117.51 117.65 1jr5 h ILE 12 Ca 0.38 -0.02 0.02 0.00 1.55 0.00 0.00 64.86 66.79 1jr5 h ILE 12 Cb 0.63 0.00 -0.06 0.00 -0.27 0.00 0.00 36.82 37.12 1jr5 h ILE 12 CO -0.70 0.00 -0.50 0.74 -1.05 0.00 0.00 178.15 176.64 1jr5 h THR 13 N -0.93 0.00 -0.17 0.16 2.02 -0.67 0.57 112.91 113.89 1jr5 h THR 13 Ca -0.09 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.11 1jr5 h THR 13 Cb 0.70 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 1jr5 h THR 13 CO 0.15 0.00 -0.23 -0.37 0.37 0.00 0.00 175.52 175.44 1jr5 h VAL 14 N -0.56 0.00 -0.68 3.16 -1.51 -0.23 0.47 116.25 116.90 1jr5 h VAL 14 Ca 0.02 0.00 0.20 0.00 -1.23 0.00 0.00 66.70 65.69 1jr5 h VAL 14 Cb 0.63 0.00 -0.03 0.00 -2.13 0.00 0.00 31.29 29.77 1jr5 h VAL 14 CO -0.38 0.00 0.56 0.00 -1.23 0.00 0.00 177.57 176.52 1jr5 h ALA 15 N -0.77 2.54 -0.12 5.19 0.00 -1.18 0.89 119.26 125.81 1jr5 h ALA 15 Ca 0.03 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.73 1jr5 h ALA 15 Cb 0.25 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1jr5 h ALA 15 CO -0.25 -0.91 -0.70 0.66 0.00 0.00 0.00 179.25 178.05 1jr5 h SER 16 N 0.00 0.62 -0.83 0.00 4.64 0.18 -1.02 113.55 117.14 1jr5 h SER 16 Ca 0.32 -0.39 0.08 0.00 -0.47 0.00 0.00 61.79 61.34 1jr5 h SER 16 Cb 1.44 -0.18 -0.07 0.00 -0.31 0.00 0.00 62.40 63.28 1jr5 h SER 16 CO -0.00 1.13 0.49 0.40 -0.87 0.00 0.00 176.83 177.98 1jr5 h ILE 17 N 0.37 0.96 0.37 0.95 2.04 0.51 0.39 117.51 123.11 1jr5 h ILE 17 Ca -0.03 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 1jr5 h ILE 17 Cb 1.28 0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 37.39 1jr5 h ILE 17 CO 0.13 0.15 -0.21 -0.07 0.00 0.00 0.00 178.15 178.15 1jr5 h LEU 18 N 0.85 -0.51 -1.52 1.44 3.38 -0.95 0.21 115.31 118.20 1jr5 h LEU 18 Ca 0.38 0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.49 1jr5 h LEU 18 Cb 0.29 0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.14 1jr5 h LEU 18 CO -0.22 -0.34 0.47 -0.29 0.09 0.00 0.00 178.44 178.15 1jr5 h ILE 19 N -0.55 0.88 -0.09 1.22 2.10 -0.08 0.94 117.51 121.93 1jr5 h ILE 19 Ca -0.04 -0.18 -0.13 0.00 1.08 0.00 0.00 64.86 65.58 1jr5 h ILE 19 Cb 0.44 0.32 -0.01 0.00 -1.09 0.00 0.00 36.82 36.48 1jr5 h ILE 19 CO 0.06 0.09 -0.53 0.50 -1.08 0.00 0.00 178.15 177.19 1jr5 h LYS 20 N 0.52 0.26 -0.88 2.19 3.64 0.43 -2.45 116.57 120.27 1jr5 h LYS 20 Ca 0.33 -0.16 -0.10 0.00 -1.27 0.00 0.00 60.65 59.46 1jr5 h LYS 20 Cb 0.60 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.37 1jr5 h LYS 20 CO -0.11 0.73 0.13 1.19 -2.27 0.00 0.00 179.45 179.11 1jr5 n PHE 21 N -3.93 1.18 -3.28 1.91 3.72 0.12 -4.84 117.46 112.35 1jr5 n PHE 21 Ca -0.02 -0.67 -0.23 0.00 -0.05 0.00 0.00 57.45 56.48 1jr5 n PHE 21 Cb 0.57 -0.41 0.05 0.00 -0.94 0.00 0.00 39.48 38.75 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 0.06 -6.20 -1.30 4.37 2.88 -0.77 -4.89 113.62 107.77 1jr5 n SER 22 Ca 0.19 -0.40 -0.06 0.00 -1.33 0.00 0.00 58.87 57.27 1jr5 n SER 22 Cb 0.85 -4.95 0.20 0.00 -0.75 0.00 0.00 64.21 59.56 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 -4.44 2.02 0.20 -1.46 5.12 0.28 -4.66 116.66 113.72 1jr5 n ARG 23 Ca -0.06 -3.13 0.18 0.00 -1.93 0.00 0.00 57.85 52.90 1jr5 n ARG 23 Cb 0.59 -1.88 0.76 0.00 -1.16 0.00 0.00 32.46 30.78 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 1.10 0.00 -0.44 5.56 5.08 -1.80 0.43 114.58 124.51 1jr5 h GLU 24 Ca 0.26 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.58 1jr5 h GLU 24 Cb 1.82 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.05 1jr5 h GLU 24 CO 0.48 0.00 0.11 -0.44 -1.00 0.00 0.00 179.01 178.16 1jr5 h ASP 25 N 0.00 0.61 0.45 1.42 5.19 -1.95 0.62 116.42 122.76 1jr5 h ASP 25 Ca 0.11 -0.09 -0.31 0.00 -0.62 0.00 0.00 57.03 56.12 1jr5 h ASP 25 Cb 0.92 -0.16 0.01 0.00 0.18 0.00 0.00 39.33 40.29 1jr5 h ASP 25 CO -0.00 0.60 -1.44 0.40 -3.12 0.00 0.00 179.24 175.68 1jr5 h ILE 26 N 0.64 1.28 0.00 0.35 2.04 -0.53 -3.26 117.51 118.03 1jr5 h ILE 26 Ca 0.15 -2.84 0.00 0.00 1.00 0.00 0.00 64.86 63.17 1jr5 h ILE 26 Cb 0.24 2.89 0.00 0.00 -0.74 0.00 0.00 36.82 39.21 1jr5 h ILE 26 CO -0.00 0.85 0.00 0.58 0.00 0.00 0.00 178.15 179.57 1jr5 h VAL 27 N 0.09 0.00 -0.01 1.67 2.07 -0.98 -2.48 116.25 116.61 1jr5 h VAL 27 Ca -0.22 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 66.78 1jr5 h VAL 27 Cb 2.04 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 33.26 1jr5 h VAL 27 CO 0.20 0.00 -0.26 -0.62 0.02 0.00 0.00 177.57 176.92 1jr5 n GLU 28 N -2.63 0.84 -4.37 1.57 1.02 0.21 -4.79 120.64 112.49 1jr5 n GLU 28 Ca 0.03 -0.50 -0.20 0.00 -0.02 0.00 0.00 57.16 56.47 1jr5 n GLU 28 Cb 0.36 -1.49 -0.14 0.00 -0.02 0.00 0.00 31.44 30.16 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 -2.50 1.59 0.07 1.62 3.84 -1.19 -4.68 114.94 113.69 1jr5 s ASN 29 Ca 0.24 -0.42 -0.22 0.00 0.21 0.00 0.00 52.86 52.68 1jr5 s ASN 29 Cb 0.19 -0.11 -0.13 0.00 -0.55 0.00 0.00 41.25 40.66 1jr5 s ASN 29 CO 0.52 0.05 1.59 0.03 -2.79 0.00 0.00 177.10 176.50 1jr5 h ARG 30 N 5.08 0.17 -0.08 0.43 3.08 -1.86 -0.98 114.38 120.22 1jr5 h ARG 30 Ca -0.37 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 59.68 1jr5 h ARG 30 Cb 1.18 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 31.17 1jr5 h ARG 30 CO 0.45 0.29 -0.10 0.00 -1.07 0.00 0.00 179.97 179.54 1jr5 h ALA 31 N 0.87 -0.05 -0.01 0.04 0.00 -1.97 0.33 119.26 118.47 1jr5 h ALA 31 Ca 0.04 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1jr5 h ALA 31 Cb 0.19 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1jr5 h ALA 31 CO -0.00 -0.57 0.00 -0.91 0.00 0.00 0.00 179.25 177.77 1jr5 h ASN 32 N -0.14 0.01 -0.51 0.00 2.35 -1.78 0.25 115.58 115.76 1jr5 h ASN 32 Ca 0.07 -0.07 0.08 0.00 -0.55 0.00 0.00 56.30 55.82 1jr5 h ASN 32 Cb 0.23 -0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.54 1jr5 h ASN 32 CO -0.16 0.07 0.16 0.15 -1.65 0.00 0.00 177.43 176.01 1jr5 h PHE 33 N -0.06 0.28 -0.24 1.19 3.04 -0.69 0.47 116.94 120.94 1jr5 h PHE 33 Ca 0.00 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 61.95 1jr5 h PHE 33 Cb 0.07 -0.05 -0.01 0.00 2.56 0.00 0.00 35.95 38.52 1jr5 h PHE 33 CO -0.06 0.07 0.05 0.82 -2.02 0.00 0.00 178.31 177.18 1jr5 h ILE 34 N 0.33 1.22 -0.64 1.41 2.04 -0.12 -1.60 117.51 120.16 1jr5 h ILE 34 Ca 0.25 -0.71 -0.00 0.00 1.00 0.00 0.00 64.86 65.40 1jr5 h ILE 34 Cb 0.29 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.58 1jr5 h ILE 34 CO -0.27 0.23 0.39 0.00 0.00 0.00 0.00 178.15 178.50 1jr5 h ALA 35 N 0.87 1.50 0.98 1.87 0.00 0.16 0.57 119.26 125.20 1jr5 h ALA 35 Ca 0.07 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1jr5 h ALA 35 Cb 0.30 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.84 1jr5 h ALA 35 CO 0.00 0.45 -0.47 0.35 0.00 0.00 0.00 179.25 179.58 1jr5 h PHE 36 N 0.87 -1.22 -0.37 0.00 3.57 0.26 0.56 116.94 120.62 1jr5 h PHE 36 Ca 0.23 -0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.79 1jr5 h PHE 36 Cb -0.05 0.40 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 1jr5 h PHE 36 CO 0.00 -0.76 0.26 -0.07 -2.23 0.00 0.00 178.31 175.51 1jr5 h LEU 37 N -1.33 0.08 0.00 0.59 3.38 -1.04 0.36 115.31 117.36 1jr5 h LEU 37 Ca -0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1jr5 h LEU 37 Cb 1.01 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1jr5 h LEU 37 CO 0.22 0.05 -0.36 -1.13 0.09 0.00 0.00 178.44 177.31 1jr5 h ASN 38 N 0.09 0.00 0.07 -0.43 -1.24 -0.44 -1.09 115.58 112.54 1jr5 h ASN 38 Ca 0.17 -0.07 -0.37 0.00 0.71 0.00 0.00 56.30 56.75 1jr5 h ASN 38 Cb 0.56 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 39.55 1jr5 h ASN 38 CO -0.02 0.03 -2.30 -1.84 -1.29 0.00 0.00 177.43 172.02 1jr5 n GLU 39 N -2.48 0.68 0.07 6.67 0.28 0.19 -4.47 120.64 121.59 1jr5 n GLU 39 Ca 0.04 0.13 -0.09 0.00 -0.16 0.00 0.00 57.16 57.08 1jr5 n GLU 39 Cb 0.48 -1.58 -0.11 0.00 1.43 0.00 0.00 31.44 31.65 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 0.01 1.66 0.00 3.84 -2.65 -1.42 -3.48 117.51 115.46 1jr5 h ILE 40 Ca -0.52 -3.29 0.00 0.00 1.03 0.00 0.00 64.86 62.08 1jr5 h ILE 40 Cb 2.04 2.85 0.00 0.00 -2.05 0.00 0.00 36.82 39.66 1jr5 h ILE 40 CO -0.01 0.95 0.00 0.61 0.03 0.00 0.00 178.15 179.73 1jr5 n GLY 41 N 1.35 0.99 3.75 0.16 0.00 -1.22 -5.12 105.19 105.09 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 -1.70 5.35 0.24 1.61 1.01 -0.41 -5.03 120.40 121.47 1jr5 s VAL 42 Ca 0.00 0.40 0.04 0.00 0.00 0.00 0.00 61.98 62.42 1jr5 s VAL 42 Cb 0.00 -3.56 -0.05 0.00 0.00 0.00 0.00 36.38 32.77 1jr5 s VAL 42 CO 0.00 0.43 -0.02 0.42 0.00 0.00 0.00 175.10 175.94 1jr5 s THR 43 N 0.24 1.19 -0.03 3.92 -4.23 -1.26 -4.05 115.64 111.41 1jr5 s THR 43 Ca 0.14 -2.05 0.05 0.00 -1.18 0.00 0.00 61.69 58.64 1jr5 s THR 43 Cb -0.12 -2.37 0.08 0.00 1.34 0.00 0.00 72.50 71.42 1jr5 s THR 43 CO 0.02 -0.32 0.93 1.57 -0.54 0.00 0.00 174.62 176.28 1jr5 n HIS 44 N -0.46 0.00 0.00 3.99 -0.00 -1.08 -4.61 115.22 113.06 1jr5 n HIS 44 Ca -0.05 -0.36 0.00 0.00 0.46 0.00 0.00 57.72 57.77 1jr5 n HIS 44 Cb 0.64 -0.07 0.00 0.00 -0.12 0.00 0.00 29.99 30.44 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 -0.48 0.00 -1.04 1.57 0.28 -1.26 -4.90 120.64 114.81 1jr5 n GLU 45 Ca 0.04 0.00 -0.01 0.00 -0.16 0.00 0.00 57.16 57.03 1jr5 n GLU 45 Cb 0.56 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 33.42 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 0.44 3.11 -1.84 0.00 -1.26 -4.98 105.19 100.67 1jr5 n GLY 46 Ca 0.00 -0.14 -0.12 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.01 0.26 0.00 1.61 1.81 -1.26 -5.08 118.95 115.27 1jr5 s ARG 47 Ca 0.00 0.57 0.00 0.00 -1.72 0.00 0.00 55.73 54.58 1jr5 s ARG 47 Cb 0.00 -0.07 0.00 0.00 -0.45 0.00 0.00 34.95 34.43 1jr5 s ARG 47 CO 0.00 -0.15 0.00 0.36 -0.68 0.00 0.00 175.30 174.83 1jr5 n LYS 48 N 4.11 1.69 -4.86 3.54 0.00 -1.26 -2.62 118.16 118.77 1jr5 n LYS 48 Ca -0.24 0.00 -0.26 0.00 -0.00 0.00 0.00 58.31 57.81 1jr5 n LYS 48 Cb 0.54 0.00 -0.16 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 1.95 -0.11 -5.58 1.43 -1.26 -4.65 118.68 110.47 1jr5 s LEU 49 Ca 0.00 -0.35 0.12 0.00 -1.03 0.00 0.00 54.13 52.87 1jr5 s LEU 49 Cb 0.00 -0.97 -0.18 0.00 0.03 0.00 0.00 46.19 45.07 1jr5 s LEU 49 CO 0.00 0.17 0.11 -0.46 0.23 0.00 0.00 176.35 176.40 1jr5 n ASN 50 N 3.01 1.72 0.00 2.29 6.94 -1.26 -4.35 115.26 123.60 1jr5 n ASN 50 Ca -0.17 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.39 1jr5 n ASN 50 Cb 0.53 1.02 0.00 0.00 -2.36 0.00 0.00 39.78 38.97 1jr5 n ASN 50 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1jr5 n GLN 51 N -2.38 0.00 -0.07 -3.83 1.13 -1.26 -4.91 117.38 106.06 1jr5 n GLN 51 Ca -0.17 0.00 -0.18 0.00 -1.94 0.00 0.00 57.00 54.71 1jr5 n GLN 51 Cb 0.80 0.00 -0.13 0.00 0.11 0.00 0.00 30.24 31.03 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 0.08 -0.76 1.08 -0.73 -1.99 -3.32 115.58 109.94 1jr5 h ASN 52 Ca 0.00 -0.80 0.07 0.00 1.87 0.00 0.00 56.30 57.45 1jr5 h ASN 52 Cb 0.00 -0.02 -0.09 0.00 0.27 0.00 0.00 38.32 38.47 1jr5 h ASN 52 CO 0.00 1.28 -0.43 -0.24 -0.37 0.00 0.00 177.43 177.68 1jr5 n SER 53 N -4.43 -0.77 0.00 1.15 2.88 -1.26 0.97 113.62 112.16 1jr5 n SER 53 Ca -0.20 1.35 -0.11 0.00 -1.33 0.00 0.00 58.87 58.57 1jr5 n SER 53 Cb 0.63 -0.19 -0.06 0.00 -0.75 0.00 0.00 64.21 63.84 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 0.11 0.09 0.66 3.57 -1.97 0.53 116.94 119.92 1jr5 h PHE 54 Ca 0.14 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.66 1jr5 h PHE 54 Cb 0.33 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.00 1jr5 h PHE 54 CO -0.77 0.13 -0.24 0.07 -2.23 0.00 0.00 178.31 175.28 1jr5 h ARG 55 N 0.05 -0.41 0.00 1.11 0.11 -0.60 0.15 114.38 114.79 1jr5 h ARG 55 Ca 0.03 0.03 -0.06 0.00 0.10 0.00 0.00 59.98 60.08 1jr5 h ARG 55 Cb 0.06 0.09 -0.01 0.00 1.11 0.00 0.00 29.97 31.22 1jr5 h ARG 55 CO -0.00 -0.27 -0.27 0.87 0.10 0.00 0.00 179.97 180.39 1jr5 h LYS 56 N -0.42 0.00 0.97 0.08 1.57 0.68 0.44 116.57 119.89 1jr5 h LYS 56 Ca 0.04 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.77 1jr5 h LYS 56 Cb 0.46 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.78 1jr5 h LYS 56 CO -0.15 0.27 -0.46 0.82 -0.57 0.00 0.00 179.45 179.35 1jr5 h ILE 57 N 0.00 0.00 -0.47 1.86 2.04 0.12 0.36 117.51 121.42 1jr5 h ILE 57 Ca -0.00 -0.01 -0.04 0.00 1.00 0.00 0.00 64.86 65.81 1jr5 h ILE 57 Cb 0.53 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 1jr5 h ILE 57 CO 0.04 0.00 0.13 0.58 0.00 0.00 0.00 178.15 178.89 1jr5 h VAL 58 N -1.31 1.20 -0.11 1.67 2.07 -0.53 0.85 116.25 120.10 1jr5 h VAL 58 Ca -0.13 -0.70 -0.02 0.00 0.82 0.00 0.00 66.70 66.67 1jr5 h VAL 58 Cb 0.99 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 1jr5 h VAL 58 CO 0.22 0.26 -0.03 -1.28 0.02 0.00 0.00 177.57 176.76 1jr5 h SER 59 N 0.69 0.14 -0.43 0.57 0.87 0.21 -1.26 113.55 114.33 1jr5 h SER 59 Ca 0.16 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 1jr5 h SER 59 Cb 0.23 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 1jr5 h SER 59 CO -0.01 0.19 0.00 -0.62 -0.53 0.00 0.00 176.83 175.87 1jr5 n GLU 60 N -4.41 2.95 -3.18 2.24 1.02 0.13 -4.93 120.64 114.45 1jr5 n GLU 60 Ca -0.01 -2.34 -0.40 0.00 -0.02 0.00 0.00 57.16 54.39 1jr5 n GLU 60 Cb 0.16 -1.45 -0.07 0.00 -0.02 0.00 0.00 31.44 30.06 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 -1.31 4.10 0.32 -4.62 1.98 0.28 -4.96 118.68 114.48 1jr5 s LEU 61 Ca 0.33 0.68 0.08 0.00 -2.89 0.00 0.00 54.13 52.33 1jr5 s LEU 61 Cb 0.19 -2.77 -0.03 0.00 0.66 0.00 0.00 46.19 44.24 1jr5 s LEU 61 CO 0.19 -0.27 0.24 0.28 -1.89 0.00 0.00 176.35 174.89 1jr5 s THR 62 N 2.06 3.54 -0.26 3.68 -1.32 -1.26 -4.91 115.64 117.15 1jr5 s THR 62 Ca 0.25 -1.47 0.21 0.00 -1.21 0.00 0.00 61.69 59.47 1jr5 s THR 62 Cb -0.16 -3.15 0.21 0.00 -1.51 0.00 0.00 72.50 67.89 1jr5 s THR 62 CO 0.09 -0.21 1.65 0.00 -2.21 0.00 0.00 174.62 173.95 1jr5 n GLN 63 N -1.28 0.14 0.11 7.08 10.64 -1.26 -1.15 117.38 131.66 1jr5 n GLN 63 Ca -0.03 0.60 -0.21 0.00 -1.83 0.00 0.00 57.00 55.53 1jr5 n GLN 63 Cb 0.60 -1.93 -0.13 0.00 -0.86 0.00 0.00 30.24 27.91 1jr5 n GLN 63 CO 0.00 0.00 0.00 0.93 -1.83 0.00 0.00 177.06 176.16 1jr5 h GLU 64 N 0.00 0.52 -0.33 2.61 5.08 -1.98 -1.13 114.58 119.34 1jr5 h GLU 64 Ca 0.00 -0.76 0.04 0.00 -1.00 0.00 0.00 59.36 57.64 1jr5 h GLU 64 Cb 0.05 0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 1jr5 h GLU 64 CO 0.00 1.35 0.23 0.22 -1.00 0.00 0.00 179.01 179.80 1jr5 h ASP 65 N 0.20 0.23 -0.09 1.42 1.82 -1.53 0.34 116.42 118.81 1jr5 h ASP 65 Ca -0.19 -0.00 -0.08 0.00 -0.39 0.00 0.00 57.03 56.36 1jr5 h ASP 65 Cb 1.97 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 41.94 1jr5 h ASP 65 CO 0.24 0.15 -0.27 0.50 -1.61 0.00 0.00 179.24 178.25 1jr5 h LYS 66 N 0.26 0.35 -0.57 0.28 3.64 -1.33 -0.59 116.57 118.61 1jr5 h LYS 66 Ca 0.14 -0.25 -0.04 0.00 -1.27 0.00 0.00 60.65 59.23 1jr5 h LYS 66 Cb 0.24 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 1jr5 h LYS 66 CO -0.03 0.87 0.21 0.87 -2.27 0.00 0.00 179.45 179.10 1jr5 h LYS 67 N -0.11 0.87 -0.40 1.90 1.57 0.12 0.49 116.57 121.01 1jr5 h LYS 67 Ca -0.01 -0.17 -0.10 0.00 -1.87 0.00 0.00 60.65 58.50 1jr5 h LYS 67 Cb 0.89 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 1jr5 h LYS 67 CO 0.06 0.77 -0.13 1.15 -0.57 0.00 0.00 179.45 180.73 1jr5 h THR 68 N 0.80 1.28 0.00 -0.16 2.02 -0.41 0.02 112.91 116.45 1jr5 h THR 68 Ca 0.19 -1.24 -0.04 0.00 0.77 0.00 0.00 66.41 66.09 1jr5 h THR 68 Cb 0.24 1.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 1jr5 h THR 68 CO -0.01 0.41 -0.17 0.17 0.37 0.00 0.00 175.52 176.29 1jr5 h LEU 69 N 0.61 0.00 -0.46 2.58 -0.00 -1.00 -2.92 115.31 114.11 1jr5 h LEU 69 Ca 0.10 0.00 -0.17 0.00 -0.00 0.00 0.00 57.88 57.80 1jr5 h LEU 69 Cb 0.67 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.32 1jr5 h LEU 69 CO 0.05 0.17 -0.68 0.40 -0.00 0.00 0.00 178.44 178.38 1jr5 h ILE 70 N 0.00 1.37 -1.51 0.15 2.04 0.24 0.31 117.51 120.10 1jr5 h ILE 70 Ca -0.00 -2.06 0.47 0.00 1.00 0.00 0.00 64.86 64.27 1jr5 h ILE 70 Cb 1.07 2.04 -0.11 0.00 -0.74 0.00 0.00 36.82 39.08 1jr5 h ILE 70 CO 0.02 0.62 1.03 -0.78 0.00 0.00 0.00 178.15 179.04 1jr5 h ASP 71 N 0.28 0.15 0.00 1.72 3.58 -0.79 0.44 116.42 121.81 1jr5 h ASP 71 Ca -0.02 0.09 -0.25 0.00 0.42 0.00 0.00 57.03 57.27 1jr5 h ASP 71 Cb 1.24 0.08 -0.05 0.00 1.72 0.00 0.00 39.33 42.32 1jr5 h ASP 71 CO 0.12 -0.13 -1.95 -0.62 -2.88 0.00 0.00 179.24 173.78 1jr5 n GLU 72 N -4.44 1.01 -2.36 0.28 1.02 -1.15 -4.62 120.64 110.38 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 1.61 -1.34 0.02 0.00 -0.02 0.00 0.00 31.44 31.71 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 -2.79 2.76 0.00 -0.32 3.01 0.11 -4.92 117.46 115.31 1jr5 n PHE 73 Ca -0.27 -2.50 0.00 0.00 1.01 0.00 0.00 57.45 55.69 1jr5 n PHE 73 Cb 0.87 -1.26 0.00 0.00 -0.01 0.00 0.00 39.48 39.08 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 0.02 0.00 -0.70 4.37 3.02 0.12 -3.96 115.26 118.14 1jr5 n ASN 74 Ca 0.50 0.15 0.07 0.00 -0.03 0.00 0.00 54.58 55.27 1jr5 n ASN 74 Cb 0.26 0.00 0.20 0.00 -0.61 0.00 0.00 39.78 39.63 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 -0.29 2.79 -0.39 3.52 0.28 -1.26 -4.55 120.64 120.74 1jr5 n GLU 75 Ca 0.00 -2.49 0.09 0.00 -0.16 0.00 0.00 57.16 54.61 1jr5 n GLU 75 Cb 0.00 -1.58 0.29 0.00 1.43 0.00 0.00 31.44 31.58 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 -0.24 2.08 0.00 -1.84 0.00 -1.25 -4.23 105.19 99.71 1jr5 n GLY 76 Ca 0.17 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 1.22 0.00 0.96 1.61 -1.74 -1.26 -4.82 117.46 113.43 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 0.61 -0.00 0.49 0.00 1.52 0.00 0.00 39.48 42.10 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 0.36 -0.08 3.97 2.13 -1.26 -1.72 120.64 124.00 1jr5 n GLU 78 Ca 0.00 0.08 0.03 0.00 0.66 0.00 0.00 57.16 57.93 1jr5 n GLU 78 Cb 0.32 -1.50 0.04 0.00 0.27 0.00 0.00 31.44 30.57 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 0.25 2.06 0.62 8.31 0.00 -1.26 -4.38 105.19 110.79 1jr5 n GLY 79 Ca 0.10 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.60 0.00 0.13 1.61 3.14 -1.07 -3.92 118.33 117.62 1jr5 n VAL 80 Ca 0.04 0.00 -0.02 0.00 -2.96 0.00 0.00 64.34 61.40 1jr5 n VAL 80 Cb 0.46 -0.86 0.17 0.00 -1.06 0.00 0.00 33.84 32.56 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 0.07 0.13 1.45 3.20 -1.63 0.56 116.97 120.75 1jr5 h TYR 81 Ca 0.00 -0.03 -0.30 0.00 3.14 0.00 0.00 58.73 61.55 1jr5 h TYR 81 Cb 0.79 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 39.05 1jr5 h TYR 81 CO 0.00 0.64 -1.45 0.00 -1.64 0.00 0.00 178.16 175.72 1jr5 h ARG 82 N 0.04 0.27 -0.16 1.82 2.47 -1.76 -3.25 114.38 113.80 1jr5 h ARG 82 Ca -0.01 -0.47 -0.12 0.00 -1.26 0.00 0.00 59.98 58.12 1jr5 h ARG 82 Cb 1.08 0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 29.56 1jr5 h ARG 82 CO 0.08 1.16 -0.43 1.88 0.56 0.00 0.00 179.97 183.23 1jr5 h TYR 83 N 0.07 0.46 -0.47 3.04 -1.99 -1.62 0.76 116.97 117.23 1jr5 h TYR 83 Ca -0.21 -0.13 0.01 0.00 2.00 0.00 0.00 58.73 60.39 1jr5 h TYR 83 Cb 2.01 -0.10 -0.02 0.00 2.00 0.00 0.00 36.73 40.62 1jr5 h TYR 83 CO 0.07 0.76 0.31 1.25 -0.00 0.00 0.00 178.16 180.54 1jr5 h LEU 84 N 0.32 0.51 0.07 3.88 7.12 0.06 -2.38 115.31 124.89 1jr5 h LEU 84 Ca 0.03 -0.01 -0.27 0.00 0.13 0.00 0.00 57.88 57.75 1jr5 h LEU 84 Cb 0.89 -0.13 -0.02 0.00 -0.53 0.00 0.00 40.66 40.87 1jr5 h LEU 84 CO 0.07 0.37 -1.44 -0.08 -0.13 0.00 0.00 178.44 177.23 1jr5 h GLU 85 N 0.60 0.15 -0.93 1.25 4.81 -1.47 -2.87 114.58 116.13 1jr5 h GLU 85 Ca 0.18 -0.25 0.25 0.00 -0.13 0.00 0.00 59.36 59.41 1jr5 h GLU 85 Cb -0.03 0.09 -0.17 0.00 0.63 0.00 0.00 28.75 29.28 1jr5 h GLU 85 CO -0.04 1.12 0.07 1.98 -0.73 0.00 0.00 179.01 181.41 1jr5 h MET 86 N -0.51 0.06 0.01 1.92 4.05 0.75 0.96 114.93 122.17 1jr5 h MET 86 Ca -0.34 -0.00 -0.29 0.00 -0.28 0.00 0.00 59.70 58.78 1jr5 h MET 86 Cb 1.62 -0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 32.36 1jr5 h MET 86 CO -0.04 0.04 -1.71 1.88 0.23 0.00 0.00 176.91 177.31 1jr5 h TYR 87 N 0.06 0.03 -2.56 1.39 0.05 -1.61 -3.43 116.97 110.90 1jr5 h TYR 87 Ca 0.56 -0.02 -0.56 0.00 0.05 0.00 0.00 58.73 58.76 1jr5 h TYR 87 Cb 1.14 -0.00 -0.39 0.00 1.01 0.00 0.00 36.73 38.49 1jr5 h TYR 87 CO -0.44 1.05 -0.83 0.95 -1.05 0.00 0.00 178.16 177.84 1jr5 s THR 88 N -2.60 0.08 0.01 -2.88 -4.23 0.12 -4.75 115.64 101.39 1jr5 s THR 88 Ca -0.06 -1.56 0.07 0.00 -1.18 0.00 0.00 61.69 58.96 1jr5 s THR 88 Cb 0.08 -1.07 -0.03 0.00 1.34 0.00 0.00 72.50 72.82 1jr5 s THR 88 CO 0.82 -0.94 -0.20 0.21 -0.54 0.00 0.00 174.62 173.98 1jr5 s ASN 89 N 1.21 3.62 0.00 3.99 2.47 0.01 -3.88 114.94 122.36 1jr5 s ASN 89 Ca 0.17 -0.40 0.00 0.00 0.42 0.00 0.00 52.86 53.05 1jr5 s ASN 89 Cb -0.22 -0.57 0.00 0.00 -1.45 0.00 0.00 41.25 39.01 1jr5 s ASN 89 CO -0.03 0.29 0.33 2.29 -3.72 0.00 0.00 177.10 176.26