#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 1.35 -4.03 7.83 3.02 -1.26 -4.81 115.26 117.35 1jr5 n ASN 2 Ca 0.00 -2.93 -0.09 0.00 -0.03 0.00 0.00 54.58 51.53 1jr5 n ASN 2 Cb 0.00 -0.41 -0.09 0.00 -0.61 0.00 0.00 39.78 38.67 1jr5 n ASN 2 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1jr5 s LYS 3 N -1.59 0.94 0.20 3.52 1.02 -1.26 -5.04 119.74 117.52 1jr5 s LYS 3 Ca 0.35 -1.25 -0.09 0.00 0.02 0.00 0.00 55.97 55.01 1jr5 s LYS 3 Cb 0.37 0.30 0.12 0.00 -0.52 0.00 0.00 37.83 38.10 1jr5 s LYS 3 CO -0.12 -0.29 1.75 -0.91 -0.92 0.00 0.00 175.35 174.86 1jr5 h ASN 4 N 2.79 1.01 -1.28 2.83 4.21 -1.97 -2.65 115.58 120.53 1jr5 h ASN 4 Ca -0.34 -0.19 0.38 0.00 1.21 0.00 0.00 56.30 57.37 1jr5 h ASN 4 Cb 1.20 -0.26 -0.10 0.00 -1.12 0.00 0.00 38.32 38.04 1jr5 h ASN 4 CO 0.56 0.93 0.85 -0.29 -1.29 0.00 0.00 177.43 178.19 1jr5 h ILE 5 N 1.04 0.28 0.26 2.81 2.10 -1.96 0.78 117.51 122.81 1jr5 h ILE 5 Ca 0.24 -0.05 -0.01 0.00 1.08 0.00 0.00 64.86 66.11 1jr5 h ILE 5 Cb 0.25 0.11 0.00 0.00 -1.09 0.00 0.00 36.82 36.09 1jr5 h ILE 5 CO -0.02 0.03 -0.13 0.44 -1.08 0.00 0.00 178.15 177.40 1jr5 h ASP 6 N 0.15 -0.30 0.24 2.19 3.32 -1.89 0.20 116.42 120.34 1jr5 h ASP 6 Ca 0.72 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.78 1jr5 h ASP 6 Cb 2.32 0.08 0.00 0.00 0.22 0.00 0.00 39.33 41.94 1jr5 h ASP 6 CO -0.28 -0.02 0.00 0.74 -1.72 0.00 0.00 179.24 177.96 1jr5 h THR 7 N -0.73 0.00 0.00 0.35 2.02 -1.45 -0.93 112.91 112.17 1jr5 h THR 7 Ca -0.04 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.03 1jr5 h THR 7 Cb 0.27 0.96 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1jr5 h THR 7 CO 0.06 0.00 -0.01 0.58 0.37 0.00 0.00 175.52 176.52 1jr5 h VAL 8 N 0.00 0.00 -1.08 3.16 2.07 0.52 -0.74 116.25 120.19 1jr5 h VAL 8 Ca 0.00 -0.89 0.31 0.00 0.82 0.00 0.00 66.70 66.94 1jr5 h VAL 8 Cb 0.12 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.77 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 -0.89 0.34 0.21 1.57 3.08 -0.27 0.31 114.38 118.73 1jr5 h ARG 9 Ca 0.00 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 1jr5 h ARG 9 Cb 0.01 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1jr5 h ARG 9 CO 0.00 0.22 -0.10 1.05 -1.07 0.00 0.00 179.97 180.07 1jr5 h GLU 10 N 0.35 -0.28 -0.69 0.04 4.11 -1.28 -1.97 114.58 114.86 1jr5 h GLU 10 Ca 0.69 0.02 0.14 0.00 0.07 0.00 0.00 59.36 60.28 1jr5 h GLU 10 Cb 1.72 0.06 -0.13 0.00 0.50 0.00 0.00 28.75 30.90 1jr5 h GLU 10 CO -0.44 0.08 -0.13 0.82 0.07 0.00 0.00 179.01 179.41 1jr5 h ILE 11 N -0.93 0.33 0.83 -1.06 2.04 0.59 0.30 117.51 119.61 1jr5 h ILE 11 Ca -0.03 -0.01 -0.04 0.00 1.00 0.00 0.00 64.86 65.78 1jr5 h ILE 11 Cb 0.48 0.31 0.01 0.00 -0.74 0.00 0.00 36.82 36.88 1jr5 h ILE 11 CO 0.05 0.00 -0.40 0.16 0.00 0.00 0.00 178.15 177.97 1jr5 h ILE 12 N 0.02 0.00 -0.25 -0.67 3.07 -0.56 -1.55 117.51 117.56 1jr5 h ILE 12 Ca 0.34 -0.06 0.04 0.00 1.55 0.00 0.00 64.86 66.74 1jr5 h ILE 12 Cb 0.54 0.00 -0.07 0.00 -0.27 0.00 0.00 36.82 37.02 1jr5 h ILE 12 CO -0.68 0.00 -0.51 0.74 -1.05 0.00 0.00 178.15 176.65 1jr5 h THR 13 N -1.17 0.04 0.08 0.16 2.02 -0.67 0.51 112.91 113.88 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 0.85 0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 1jr5 h THR 13 CO 0.19 0.00 -0.26 -0.37 0.37 0.00 0.00 175.52 175.45 1jr5 h VAL 14 N -0.48 0.00 -0.96 3.16 -1.51 -0.45 0.24 116.25 116.26 1jr5 h VAL 14 Ca 0.07 0.00 0.28 0.00 -1.23 0.00 0.00 66.70 65.82 1jr5 h VAL 14 Cb 0.64 0.00 -0.04 0.00 -2.13 0.00 0.00 31.29 29.76 1jr5 h VAL 14 CO -0.50 0.00 0.75 0.00 -1.23 0.00 0.00 177.57 176.59 1jr5 h ALA 15 N -1.10 2.86 -0.08 5.19 0.00 -1.16 1.00 119.26 125.98 1jr5 h ALA 15 Ca -0.01 -0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.66 1jr5 h ALA 15 Cb 0.38 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1jr5 h ALA 15 CO -0.13 -1.24 -0.82 0.66 0.00 0.00 0.00 179.25 177.73 1jr5 h SER 16 N 0.00 0.68 -0.75 0.00 4.64 0.55 -1.49 113.55 117.17 1jr5 h SER 16 Ca 0.45 -0.48 0.10 0.00 -0.47 0.00 0.00 61.79 61.39 1jr5 h SER 16 Cb 1.94 -0.20 -0.07 0.00 -0.31 0.00 0.00 62.40 63.75 1jr5 h SER 16 CO -0.00 1.25 0.40 0.40 -0.87 0.00 0.00 176.83 178.00 1jr5 h ILE 17 N 0.36 0.86 0.45 0.95 2.04 0.43 0.44 117.51 123.04 1jr5 h ILE 17 Ca -0.06 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.56 1jr5 h ILE 17 Cb 1.43 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 1jr5 h ILE 17 CO 0.15 0.12 -0.28 -0.07 0.00 0.00 0.00 178.15 178.08 1jr5 h LEU 18 N 0.66 -0.69 -2.01 1.44 3.38 -1.11 0.26 115.31 117.24 1jr5 h LEU 18 Ca 0.37 0.04 0.15 0.00 0.09 0.00 0.00 57.88 58.53 1jr5 h LEU 18 Cb 0.38 0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 1jr5 h LEU 18 CO -0.27 -0.44 0.37 -0.29 0.09 0.00 0.00 178.44 177.91 1jr5 h ILE 19 N -0.69 0.71 0.02 1.22 2.10 -0.15 1.06 117.51 121.77 1jr5 h ILE 19 Ca -0.05 0.00 -0.21 0.00 1.08 0.00 0.00 64.86 65.68 1jr5 h ILE 19 Cb 0.57 0.74 -0.01 0.00 -1.09 0.00 0.00 36.82 37.02 1jr5 h ILE 19 CO 0.05 0.00 -0.93 0.50 -1.08 0.00 0.00 178.15 176.69 1jr5 h LYS 20 N 0.00 0.17 -0.66 2.19 3.11 0.96 -2.95 116.57 119.39 1jr5 h LYS 20 Ca 0.24 -0.20 0.00 0.00 -2.81 0.00 0.00 60.65 57.88 1jr5 h LYS 20 Cb 0.98 0.06 0.00 0.00 -1.00 0.00 0.00 32.23 32.28 1jr5 h LYS 20 CO -0.00 0.98 0.00 1.19 -2.81 0.00 0.00 179.45 178.80 1jr5 n PHE 21 N -3.60 0.84 -2.73 1.91 3.72 0.14 -4.86 117.46 112.88 1jr5 n PHE 21 Ca -0.03 -0.32 -0.13 0.00 -0.05 0.00 0.00 57.45 56.92 1jr5 n PHE 21 Cb 0.84 -0.20 0.02 0.00 -0.94 0.00 0.00 39.48 39.20 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 0.39 -4.13 -1.38 4.37 7.64 -0.39 -4.93 113.62 115.18 1jr5 n SER 22 Ca 0.13 -0.18 -0.07 0.00 1.01 0.00 0.00 58.87 59.76 1jr5 n SER 22 Cb 0.58 -2.98 0.20 0.00 -1.01 0.00 0.00 64.21 61.00 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 -2.62 2.04 0.25 1.43 3.00 0.32 -4.65 116.66 116.44 1jr5 n ARG 23 Ca -0.06 -3.13 0.17 0.00 -0.01 0.00 0.00 57.85 54.82 1jr5 n ARG 23 Cb 0.56 -1.90 0.80 0.00 0.00 0.00 0.00 32.46 31.92 1jr5 n ARG 23 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1jr5 h GLU 24 N 1.10 0.00 -0.54 5.56 5.08 -1.81 0.46 114.58 124.42 1jr5 h GLU 24 Ca 0.29 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.62 1jr5 h GLU 24 Cb 1.91 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 31.13 1jr5 h GLU 24 CO 0.53 0.00 0.18 0.22 -1.00 0.00 0.00 179.01 178.94 1jr5 h ASP 25 N 0.00 0.73 0.27 1.42 3.58 -1.95 0.64 116.42 121.11 1jr5 h ASP 25 Ca 0.07 -0.10 -0.32 0.00 0.42 0.00 0.00 57.03 57.09 1jr5 h ASP 25 Cb 0.78 -0.19 0.03 0.00 1.72 0.00 0.00 39.33 41.68 1jr5 h ASP 25 CO -0.00 0.68 -1.39 0.40 -2.88 0.00 0.00 179.24 176.05 1jr5 h ILE 26 N 0.78 1.31 0.00 2.25 2.04 -0.48 -3.19 117.51 120.22 1jr5 h ILE 26 Ca 0.18 -2.67 0.00 0.00 1.00 0.00 0.00 64.86 63.37 1jr5 h ILE 26 Cb 0.21 2.93 0.00 0.00 -0.74 0.00 0.00 36.82 39.22 1jr5 h ILE 26 CO -0.01 0.80 0.00 0.58 0.00 0.00 0.00 178.15 179.52 1jr5 h VAL 27 N 0.18 0.00 -0.01 1.67 2.07 -0.91 -2.96 116.25 116.28 1jr5 h VAL 27 Ca -0.22 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 66.90 1jr5 h VAL 27 Cb 2.08 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 33.12 1jr5 h VAL 27 CO 0.26 0.00 -0.15 -0.62 0.02 0.00 0.00 177.57 177.08 1jr5 n GLU 28 N -2.67 1.20 -4.34 1.57 1.02 0.22 -4.73 120.64 112.91 1jr5 n GLU 28 Ca 0.02 -0.71 -0.20 0.00 -0.02 0.00 0.00 57.16 56.25 1jr5 n GLU 28 Cb 0.28 -1.49 -0.13 0.00 -0.02 0.00 0.00 31.44 30.08 1jr5 n GLU 28 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1jr5 s ASN 29 N -2.29 1.59 0.00 1.62 -0.87 -1.13 -4.75 114.94 109.11 1jr5 s ASN 29 Ca 0.30 -0.44 0.00 0.00 -1.57 0.00 0.00 52.86 51.15 1jr5 s ASN 29 Cb 0.20 -0.10 0.00 0.00 -0.02 0.00 0.00 41.25 41.33 1jr5 s ASN 29 CO 0.44 0.03 1.00 -2.11 -2.57 0.00 0.00 177.10 173.89 1jr5 n ARG 30 N 1.94 0.00 -0.39 -0.60 1.85 -1.26 -1.20 116.66 117.01 1jr5 n ARG 30 Ca -0.18 0.51 0.33 0.00 -1.00 0.00 0.00 57.85 57.51 1jr5 n ARG 30 Cb 0.55 -1.50 0.65 0.00 -1.05 0.00 0.00 32.46 31.12 1jr5 n ARG 30 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1jr5 h ALA 31 N -1.98 2.81 -0.00 2.89 0.00 -1.93 0.70 119.26 121.74 1jr5 h ALA 31 Ca 0.00 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1jr5 h ALA 31 Cb 0.00 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1jr5 h ALA 31 CO 0.00 -1.26 0.00 -0.91 0.00 0.00 0.00 179.25 177.08 1jr5 h ASN 32 N 0.15 0.01 0.29 0.00 2.35 -1.75 0.39 115.58 117.02 1jr5 h ASN 32 Ca 0.67 -0.18 -0.01 0.00 -0.55 0.00 0.00 56.30 56.22 1jr5 h ASN 32 Cb 2.24 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.61 1jr5 h ASN 32 CO -0.20 0.19 -0.14 0.15 -1.65 0.00 0.00 177.43 175.78 1jr5 h PHE 33 N -0.18 -0.36 -0.04 1.19 3.57 0.17 0.15 116.94 121.44 1jr5 h PHE 33 Ca 0.00 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.51 1jr5 h PHE 33 Cb 0.19 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.02 1jr5 h PHE 33 CO -0.01 -0.14 -0.08 0.82 -2.23 0.00 0.00 178.31 176.67 1jr5 h ILE 34 N -0.52 0.79 -0.19 1.41 5.03 -0.59 -0.87 117.51 122.57 1jr5 h ILE 34 Ca -0.04 0.00 0.05 0.00 -0.12 0.00 0.00 64.86 64.75 1jr5 h ILE 34 Cb 0.38 0.79 -0.05 0.00 -3.03 0.00 0.00 36.82 34.91 1jr5 h ILE 34 CO 0.07 0.00 -0.12 0.00 -0.68 0.00 0.00 178.15 177.41 1jr5 h ALA 35 N 0.90 0.02 -0.59 1.87 0.00 -0.18 -1.43 119.26 119.85 1jr5 h ALA 35 Ca 0.04 0.07 0.12 0.00 0.00 0.00 0.00 54.91 55.15 1jr5 h ALA 35 Cb 0.18 0.28 -0.11 0.00 0.00 0.00 0.00 17.79 18.14 1jr5 h ALA 35 CO -0.11 -0.55 -0.07 0.35 0.00 0.00 0.00 179.25 178.87 1jr5 h PHE 36 N -0.12 -0.16 0.01 0.00 3.57 -0.32 0.15 116.94 120.06 1jr5 h PHE 36 Ca 0.11 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.66 1jr5 h PHE 36 Cb 0.29 0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.18 1jr5 h PHE 36 CO -0.27 -0.20 -0.02 -0.07 -2.23 0.00 0.00 178.31 175.51 1jr5 h LEU 37 N 0.06 -0.06 -0.38 0.59 3.38 -0.44 -1.63 115.31 116.83 1jr5 h LEU 37 Ca 0.30 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1jr5 h LEU 37 Cb 0.48 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1jr5 h LEU 37 CO -0.56 -0.03 0.00 -0.46 0.09 0.00 0.00 178.44 177.48 1jr5 n ASN 38 N -5.12 0.52 -0.03 -0.43 6.94 -0.61 -0.67 115.26 115.86 1jr5 n ASN 38 Ca -0.07 0.61 -0.21 0.00 -0.02 0.00 0.00 54.58 54.88 1jr5 n ASN 38 Cb 0.06 -0.73 -0.13 0.00 -2.36 0.00 0.00 39.78 36.62 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 -2.05 0.71 0.10 -3.83 0.28 0.43 -4.30 120.64 111.97 1jr5 n GLU 39 Ca 0.03 0.30 -0.05 0.00 -0.16 0.00 0.00 57.16 57.28 1jr5 n GLU 39 Cb 0.27 -1.69 0.07 0.00 1.43 0.00 0.00 31.44 31.52 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 -0.15 1.48 0.00 3.84 -2.65 -1.36 -3.47 117.51 115.19 1jr5 h ILE 40 Ca -0.44 -2.38 0.00 0.00 1.03 0.00 0.00 64.86 63.07 1jr5 h ILE 40 Cb 1.89 2.28 0.00 0.00 -2.05 0.00 0.00 36.82 38.94 1jr5 h ILE 40 CO 0.00 0.69 0.00 0.61 0.03 0.00 0.00 178.15 179.48 1jr5 n GLY 41 N 0.57 1.00 3.71 0.16 0.00 -1.04 -5.13 105.19 104.47 1jr5 n GLY 41 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.77 4.39 0.29 1.61 1.01 0.16 -5.04 120.40 121.04 1jr5 s VAL 42 Ca 0.00 -0.42 -0.08 0.00 0.00 0.00 0.00 61.98 61.48 1jr5 s VAL 42 Cb 0.00 -2.93 -0.00 0.00 0.00 0.00 0.00 36.38 33.45 1jr5 s VAL 42 CO 0.00 0.45 0.47 0.42 0.00 0.00 0.00 175.10 176.44 1jr5 s THR 43 N -1.05 0.00 -0.05 3.92 -4.23 -1.26 -4.18 115.64 108.79 1jr5 s THR 43 Ca 0.18 -1.50 0.07 0.00 -1.18 0.00 0.00 61.69 59.27 1jr5 s THR 43 Cb -0.12 -2.45 0.11 0.00 1.34 0.00 0.00 72.50 71.39 1jr5 s THR 43 CO 0.08 0.00 1.01 1.57 -0.54 0.00 0.00 174.62 176.74 1jr5 n HIS 44 N -0.46 0.00 0.00 3.99 -0.00 -1.14 -4.69 115.22 112.92 1jr5 n HIS 44 Ca -0.01 -0.43 0.00 0.00 0.46 0.00 0.00 57.72 57.75 1jr5 n HIS 44 Cb 0.62 -0.08 0.00 0.00 -0.12 0.00 0.00 29.99 30.41 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 -0.59 0.00 -1.19 1.57 0.28 -1.26 -4.90 120.64 114.55 1jr5 n GLU 45 Ca 0.06 0.00 -0.07 0.00 -0.16 0.00 0.00 57.16 57.00 1jr5 n GLU 45 Cb 0.62 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.46 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 0.77 2.98 -1.84 0.00 -1.26 -4.95 105.19 100.89 1jr5 n GLY 46 Ca 0.00 -0.18 -0.14 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.19 0.14 0.00 1.61 0.52 -1.26 -5.07 118.95 112.70 1jr5 s ARG 47 Ca 0.00 0.56 0.00 0.00 -0.52 0.00 0.00 55.73 55.77 1jr5 s ARG 47 Cb 0.00 -0.14 0.00 0.00 0.52 0.00 0.00 34.95 35.33 1jr5 s ARG 47 CO 0.00 -0.22 0.00 0.36 0.02 0.00 0.00 175.30 175.46 1jr5 n LYS 48 N 4.66 2.77 -4.18 3.54 -0.00 -1.26 -2.91 118.16 120.79 1jr5 n LYS 48 Ca -0.18 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.02 1jr5 n LYS 48 Cb 0.51 0.00 -0.10 0.00 -0.00 0.00 0.00 35.03 35.44 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 1.49 0.00 -5.58 1.43 -1.26 -4.71 118.68 110.05 1jr5 s LEU 49 Ca 0.00 -1.29 0.00 0.00 -1.03 0.00 0.00 54.13 51.81 1jr5 s LEU 49 Cb 0.00 0.33 0.00 0.00 0.03 0.00 0.00 46.19 46.55 1jr5 s LEU 49 CO 0.00 -0.78 0.00 0.59 0.23 0.00 0.00 176.35 176.39 1jr5 n ASN 50 N -0.18 3.23 0.00 2.29 4.13 -1.26 -4.77 115.26 118.70 1jr5 n ASN 50 Ca -0.02 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.24 1jr5 n ASN 50 Cb 0.65 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.89 1jr5 n ASN 50 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1jr5 n GLN 51 N -2.51 0.00 -0.05 3.52 6.02 -1.26 -4.84 117.38 118.27 1jr5 n GLN 51 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.90 1jr5 n GLN 51 Cb 0.47 0.00 -0.15 0.00 1.02 0.00 0.00 30.24 31.58 1jr5 n GLN 51 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1jr5 n ASN 52 N 0.00 0.53 -0.06 1.08 5.15 -1.26 -4.24 115.26 116.46 1jr5 n ASN 52 Ca 0.00 0.25 -0.08 0.00 -0.60 0.00 0.00 54.58 54.15 1jr5 n ASN 52 Cb 0.00 0.36 -0.06 0.00 -0.53 0.00 0.00 39.78 39.56 1jr5 n ASN 52 CO 0.00 0.00 0.00 -1.28 1.40 0.00 0.00 177.26 177.38 1jr5 h SER 53 N 0.00 -1.03 -0.51 1.20 0.87 -1.95 -0.90 113.55 111.23 1jr5 h SER 53 Ca -0.39 0.13 0.10 0.00 -1.23 0.00 0.00 61.79 60.41 1jr5 h SER 53 Cb 2.10 0.42 -0.09 0.00 -0.44 0.00 0.00 62.40 64.38 1jr5 h SER 53 CO 0.06 -0.23 -0.09 0.15 -0.53 0.00 0.00 176.83 176.18 1jr5 h PHE 54 N -0.24 -0.21 -1.02 2.24 3.57 -1.97 0.74 116.94 120.05 1jr5 h PHE 54 Ca 0.04 0.04 0.25 0.00 3.53 0.00 0.00 57.97 61.83 1jr5 h PHE 54 Cb 0.34 0.17 -0.11 0.00 2.79 0.00 0.00 35.95 39.15 1jr5 h PHE 54 CO -0.64 -0.19 0.63 0.00 -2.23 0.00 0.00 178.31 175.87 1jr5 h ARG 55 N 0.03 0.49 0.00 1.11 2.47 -1.50 0.70 114.38 117.68 1jr5 h ARG 55 Ca 0.25 -0.03 -0.20 0.00 -1.26 0.00 0.00 59.98 58.74 1jr5 h ARG 55 Cb 0.38 -0.11 -0.03 0.00 -1.65 0.00 0.00 29.97 28.56 1jr5 h ARG 55 CO -0.50 0.33 -0.95 0.87 0.56 0.00 0.00 179.97 180.28 1jr5 h LYS 56 N 0.51 0.01 0.41 0.04 1.57 0.38 0.45 116.57 119.94 1jr5 h LYS 56 Ca 0.61 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.36 1jr5 h LYS 56 Cb 1.32 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.63 1jr5 h LYS 56 CO -0.37 0.95 -0.25 0.82 -0.57 0.00 0.00 179.45 180.03 1jr5 h ILE 57 N 0.00 0.49 -0.35 1.86 2.04 0.23 -1.60 117.51 120.18 1jr5 h ILE 57 Ca -0.01 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.71 1jr5 h ILE 57 Cb 1.68 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 38.24 1jr5 h ILE 57 CO 0.13 0.00 -0.33 0.58 0.00 0.00 0.00 178.15 178.52 1jr5 h VAL 58 N -0.63 1.28 -0.68 1.67 2.07 -0.87 -0.33 116.25 118.76 1jr5 h VAL 58 Ca -0.05 -1.49 0.20 0.00 0.82 0.00 0.00 66.70 66.18 1jr5 h VAL 58 Cb 0.51 1.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.62 1jr5 h VAL 58 CO 0.05 0.49 0.49 -1.28 0.02 0.00 0.00 177.57 177.35 1jr5 h SER 59 N 0.67 0.00 -0.13 0.57 0.87 -0.57 0.11 113.55 115.06 1jr5 h SER 59 Ca 0.07 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1jr5 h SER 59 Cb 0.88 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.84 1jr5 h SER 59 CO 0.08 0.00 0.00 -1.84 -0.53 0.00 0.00 176.83 174.54 1jr5 n GLU 60 N -4.31 2.51 -3.11 2.24 0.28 -0.63 -4.98 120.64 112.63 1jr5 n GLU 60 Ca 0.13 -2.19 -0.40 0.00 -0.16 0.00 0.00 57.16 54.55 1jr5 n GLU 60 Cb 0.75 -1.37 -0.05 0.00 1.43 0.00 0.00 31.44 32.20 1jr5 n GLU 60 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 1jr5 s LEU 61 N -1.87 4.24 0.38 -1.84 1.98 0.37 -5.05 118.68 116.89 1jr5 s LEU 61 Ca 0.22 0.99 0.08 0.00 -2.89 0.00 0.00 54.13 52.53 1jr5 s LEU 61 Cb 0.17 -2.95 -0.04 0.00 0.66 0.00 0.00 46.19 44.03 1jr5 s LEU 61 CO 0.06 -0.17 0.20 0.28 -1.89 0.00 0.00 176.35 174.83 1jr5 s THR 62 N 1.25 2.68 -0.28 3.68 -1.32 -1.26 -4.94 115.64 115.45 1jr5 s THR 62 Ca 0.32 -1.63 0.22 0.00 -1.21 0.00 0.00 61.69 59.39 1jr5 s THR 62 Cb -0.16 -2.99 0.22 0.00 -1.51 0.00 0.00 72.50 68.06 1jr5 s THR 62 CO 0.13 -0.08 1.66 0.00 -2.21 0.00 0.00 174.62 174.13 1jr5 n GLN 63 N -1.26 0.15 0.11 7.08 0.00 -1.26 -1.36 117.38 120.84 1jr5 n GLN 63 Ca -0.01 0.58 -0.22 0.00 0.00 0.00 0.00 57.00 57.35 1jr5 n GLN 63 Cb 0.63 -1.93 -0.13 0.00 0.00 0.00 0.00 30.24 28.80 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 0.57 -0.59 2.61 4.22 -1.98 -0.62 114.58 118.79 1jr5 h GLU 64 Ca 0.00 -0.82 0.04 0.00 0.08 0.00 0.00 59.36 58.66 1jr5 h GLU 64 Cb 0.09 0.28 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 1jr5 h GLU 64 CO 0.00 1.37 0.39 0.22 -2.18 0.00 0.00 179.01 178.82 1jr5 h ASP 65 N 0.23 0.57 -0.40 1.04 1.82 -1.61 0.30 116.42 118.36 1jr5 h ASP 65 Ca -0.20 -0.00 -0.12 0.00 -0.39 0.00 0.00 57.03 56.32 1jr5 h ASP 65 Cb 1.97 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 41.84 1jr5 h ASP 65 CO 0.24 0.39 -0.20 0.50 -1.61 0.00 0.00 179.24 178.56 1jr5 h LYS 66 N 0.66 0.84 0.85 0.28 3.64 -1.36 -0.77 116.57 120.70 1jr5 h LYS 66 Ca 0.24 -0.37 -0.04 0.00 -1.27 0.00 0.00 60.65 59.21 1jr5 h LYS 66 Cb 0.15 -0.02 0.01 0.00 -0.41 0.00 0.00 32.23 31.95 1jr5 h LYS 66 CO -0.07 1.01 -0.41 -0.22 -2.27 0.00 0.00 179.45 177.49 1jr5 h LYS 67 N 0.66 -1.10 -0.99 1.90 1.63 0.85 0.28 116.57 119.80 1jr5 h LYS 67 Ca 0.09 0.07 0.04 0.00 -0.85 0.00 0.00 60.65 60.00 1jr5 h LYS 67 Cb 0.76 0.25 -0.06 0.00 -0.60 0.00 0.00 32.23 32.58 1jr5 h LYS 67 CO 0.06 -0.73 0.65 1.15 -3.45 0.00 0.00 179.45 177.13 1jr5 h THR 68 N -1.15 1.17 0.00 1.00 2.02 -0.57 -0.11 112.91 115.26 1jr5 h THR 68 Ca -0.12 -0.43 -0.04 0.00 0.77 0.00 0.00 66.41 66.59 1jr5 h THR 68 Cb 0.87 -0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 1jr5 h THR 68 CO 0.19 0.23 -0.20 0.17 0.37 0.00 0.00 175.52 176.28 1jr5 h LEU 69 N 1.25 0.00 -0.58 2.58 -0.00 -1.09 -2.89 115.31 114.59 1jr5 h LEU 69 Ca 0.39 0.00 -0.16 0.00 -0.00 0.00 0.00 57.88 58.12 1jr5 h LEU 69 Cb 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.66 1jr5 h LEU 69 CO -0.12 0.20 -0.62 0.40 -0.00 0.00 0.00 178.44 178.30 1jr5 h ILE 70 N 0.00 1.37 -1.36 0.15 2.04 0.62 0.37 117.51 120.70 1jr5 h ILE 70 Ca -0.00 -1.97 0.44 0.00 1.00 0.00 0.00 64.86 64.32 1jr5 h ILE 70 Cb 1.10 1.97 -0.12 0.00 -0.74 0.00 0.00 36.82 39.04 1jr5 h ILE 70 CO 0.03 0.59 0.89 -0.78 0.00 0.00 0.00 178.15 178.88 1jr5 h ASP 71 N 0.25 0.22 0.00 1.72 3.58 -0.83 0.51 116.42 121.87 1jr5 h ASP 71 Ca -0.01 0.12 -0.27 0.00 0.42 0.00 0.00 57.03 57.29 1jr5 h ASP 71 Cb 1.14 0.10 -0.05 0.00 1.72 0.00 0.00 39.33 42.24 1jr5 h ASP 71 CO 0.10 -0.15 -2.03 -0.62 -2.88 0.00 0.00 179.24 173.66 1jr5 n GLU 72 N -4.60 0.75 -2.21 0.28 1.02 -1.14 -4.59 120.64 110.15 1jr5 n GLU 72 Ca 0.37 0.08 -0.39 0.00 -0.02 0.00 0.00 57.16 57.20 1jr5 n GLU 72 Cb 1.45 -1.37 0.01 0.00 -0.02 0.00 0.00 31.44 31.51 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 2.61 0.00 -0.32 3.01 0.13 -4.92 117.46 115.06 1jr5 n PHE 73 Ca -0.30 -2.56 0.00 0.00 1.01 0.00 0.00 57.45 55.59 1jr5 n PHE 73 Cb 0.88 -1.44 0.00 0.00 -0.01 0.00 0.00 39.48 38.90 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 0.62 0.00 -0.29 4.37 5.03 0.15 -4.06 115.26 121.08 1jr5 n ASN 74 Ca 0.54 0.03 0.06 0.00 0.87 0.00 0.00 54.58 56.08 1jr5 n ASN 74 Cb 0.28 0.00 0.13 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 -0.06 2.27 -0.60 3.52 0.28 -1.26 -4.63 120.64 120.16 1jr5 n GLU 75 Ca 0.00 -2.28 0.08 0.00 -0.16 0.00 0.00 57.16 54.80 1jr5 n GLU 75 Cb 0.00 -1.41 0.32 0.00 1.43 0.00 0.00 31.44 31.79 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 -0.76 2.47 0.00 -1.84 0.00 -1.26 -4.18 105.19 99.62 1jr5 n GLY 76 Ca 0.12 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 0.86 0.00 0.83 1.61 -1.74 -1.26 -4.81 117.46 112.95 1jr5 n PHE 77 Ca 0.23 -0.03 0.09 0.00 -0.56 0.00 0.00 57.45 57.17 1jr5 n PHE 77 Cb 0.86 -0.00 0.44 0.00 1.52 0.00 0.00 39.48 42.30 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 0.25 -0.16 3.97 2.13 -1.26 -1.89 120.64 123.65 1jr5 n GLU 78 Ca 0.00 0.12 0.06 0.00 0.66 0.00 0.00 57.16 57.99 1jr5 n GLU 78 Cb 0.32 -1.50 0.08 0.00 0.27 0.00 0.00 31.44 30.61 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 0.21 3.08 0.75 8.31 0.00 -1.26 -4.40 105.19 111.89 1jr5 n GLY 79 Ca 0.08 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.87 0.00 0.17 1.61 3.14 -1.06 -4.01 118.33 117.31 1jr5 n VAL 80 Ca 0.09 0.00 0.02 0.00 -2.96 0.00 0.00 64.34 61.48 1jr5 n VAL 80 Cb 0.59 -0.82 0.28 0.00 -1.06 0.00 0.00 33.84 32.83 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 0.05 1.45 3.20 -1.67 0.29 116.97 120.28 1jr5 h TYR 81 Ca 0.00 0.00 -0.28 0.00 3.14 0.00 0.00 58.73 61.59 1jr5 h TYR 81 Cb 0.69 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.93 1jr5 h TYR 81 CO 0.00 0.48 -1.51 0.00 -1.64 0.00 0.00 178.16 175.49 1jr5 h ARG 82 N 0.00 0.10 -0.37 1.82 2.47 -1.77 -3.35 114.38 113.29 1jr5 h ARG 82 Ca -0.00 -0.17 -0.11 0.00 -1.26 0.00 0.00 59.98 58.44 1jr5 h ARG 82 Cb 0.88 0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 29.26 1jr5 h ARG 82 CO 0.06 0.86 -0.20 1.88 0.56 0.00 0.00 179.97 183.13 1jr5 h TYR 83 N 0.03 0.91 -0.24 3.04 -1.99 -1.62 -2.74 116.97 114.35 1jr5 h TYR 83 Ca -0.22 -0.23 0.07 0.00 2.00 0.00 0.00 58.73 60.35 1jr5 h TYR 83 Cb 1.96 -0.21 -0.01 0.00 2.00 0.00 0.00 36.73 40.47 1jr5 h TYR 83 CO 0.03 0.98 0.20 1.37 -0.00 0.00 0.00 178.16 180.74 1jr5 h LEU 84 N 0.58 0.00 0.27 3.88 8.10 -1.09 -2.12 115.31 124.93 1jr5 h LEU 84 Ca 0.08 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 58.06 1jr5 h LEU 84 Cb 0.76 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.98 1jr5 h LEU 84 CO 0.06 0.00 -0.13 -0.33 -4.11 0.00 0.00 178.44 173.93 1jr5 h GLU 85 N 0.00 -0.35 -1.21 0.17 5.08 -1.57 0.91 114.58 117.60 1jr5 h GLU 85 Ca 0.11 0.02 0.35 0.00 -1.00 0.00 0.00 59.36 58.85 1jr5 h GLU 85 Cb 0.51 0.08 -0.08 0.00 0.50 0.00 0.00 28.75 29.76 1jr5 h GLU 85 CO -0.00 -0.24 0.82 0.52 -1.00 0.00 0.00 179.01 179.12 1jr5 h MET 86 N -0.92 0.16 0.07 2.33 2.86 -1.27 1.10 114.93 119.27 1jr5 h MET 86 Ca -0.04 -0.01 -0.33 0.00 -2.06 0.00 0.00 59.70 57.26 1jr5 h MET 86 Cb 0.28 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.88 1jr5 h MET 86 CO 0.06 0.11 -1.83 1.88 1.06 0.00 0.00 176.91 178.19 1jr5 h TYR 87 N 0.16 0.28 -2.02 -0.22 0.05 -1.44 -3.43 116.97 110.36 1jr5 h TYR 87 Ca 0.65 -0.21 -0.42 0.00 0.05 0.00 0.00 58.73 58.80 1jr5 h TYR 87 Cb 2.14 -0.01 -0.32 0.00 1.01 0.00 0.00 36.73 39.55 1jr5 h TYR 87 CO -0.00 1.42 -0.75 0.95 -1.05 0.00 0.00 178.16 178.73 1jr5 s THR 88 N -2.58 -0.19 -0.12 -2.88 -4.23 0.31 -4.25 115.64 101.70 1jr5 s THR 88 Ca -0.14 -1.46 0.00 0.00 -1.18 0.00 0.00 61.69 58.92 1jr5 s THR 88 Cb 0.07 -0.78 -0.02 0.00 1.34 0.00 0.00 72.50 73.11 1jr5 s THR 88 CO 0.80 -0.72 -0.12 0.54 -0.54 0.00 0.00 174.62 174.58 1jr5 s ASN 89 N 1.01 4.16 0.00 3.99 4.22 0.33 -3.67 114.94 124.97 1jr5 s ASN 89 Ca 0.22 -0.26 0.27 0.00 -2.14 0.00 0.00 52.86 50.95 1jr5 s ASN 89 Cb -0.11 -1.48 0.83 0.00 1.28 0.00 0.00 41.25 41.77 1jr5 s ASN 89 CO -0.06 0.21 1.62 2.29 -2.04 0.00 0.00 177.10 179.12