#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jg5 s TYR 2 N 0.00 3.05 0.00 6.00 2.02 -1.26 -1.29 117.35 125.87 1jg5 s TYR 2 Ca 0.00 -0.05 0.02 0.00 -0.37 0.00 0.00 57.07 56.67 1jg5 s TYR 2 Cb 0.00 -1.47 -0.01 0.00 -0.40 0.00 0.00 41.96 40.08 1jg5 s TYR 2 CO 0.00 0.52 -0.07 -1.17 -1.57 0.00 0.00 175.55 173.26 1jg5 s LEU 3 N -3.03 2.04 -0.17 -1.29 2.96 0.37 -4.99 118.68 114.59 1jg5 s LEU 3 Ca 0.30 -0.17 0.00 0.00 -0.22 0.00 0.00 54.13 54.04 1jg5 s LEU 3 Cb -0.10 -0.31 0.04 0.00 0.50 0.00 0.00 46.19 46.31 1jg5 s LEU 3 CO 0.22 0.04 -0.09 -0.76 -1.32 0.00 0.00 176.35 174.44 1jg5 s LEU 4 N -0.34 1.80 0.24 -0.68 1.43 -1.26 -0.60 118.68 119.26 1jg5 s LEU 4 Ca 0.01 -0.65 0.11 0.00 -1.03 0.00 0.00 54.13 52.57 1jg5 s LEU 4 Cb -0.03 -1.07 -0.05 0.00 0.03 0.00 0.00 46.19 45.07 1jg5 s LEU 4 CO -0.00 -0.13 -0.20 0.27 0.23 0.00 0.00 176.35 176.52 1jg5 s ILE 5 N 1.53 2.26 0.30 -0.59 -4.36 -1.05 -4.29 121.20 115.00 1jg5 s ILE 5 Ca 0.02 -2.26 -0.08 0.00 -0.26 0.00 0.00 60.65 58.06 1jg5 s ILE 5 Cb -0.15 -2.18 0.00 0.00 1.25 0.00 0.00 42.46 41.39 1jg5 s ILE 5 CO -0.09 -0.38 0.50 -0.94 0.24 0.00 0.00 174.94 174.27 1jg5 s SER 6 N -3.25 0.34 0.07 4.36 1.04 -0.67 -1.84 113.70 113.74 1jg5 s SER 6 Ca 0.26 -1.20 -0.26 0.00 0.48 0.00 0.00 55.95 55.23 1jg5 s SER 6 Cb -0.05 0.64 0.09 0.00 0.10 0.00 0.00 66.02 66.80 1jg5 s SER 6 CO 0.12 -1.25 0.76 0.28 0.98 0.00 0.00 173.24 174.12 1jg5 s THR 7 N -3.45 0.00 0.15 2.02 -1.32 -0.65 -1.34 115.64 111.05 1jg5 s THR 7 Ca 0.26 -0.02 -0.00 0.00 -1.21 0.00 0.00 61.69 60.72 1jg5 s THR 7 Cb -0.01 -1.02 -0.04 0.00 -1.51 0.00 0.00 72.50 69.92 1jg5 s THR 7 CO 0.14 0.00 0.32 -1.10 -2.21 0.00 0.00 174.62 171.77 1jg5 s GLN 8 N -3.42 3.49 0.52 7.08 -1.52 -1.26 -0.01 119.66 124.54 1jg5 s GLN 8 Ca 0.03 -0.40 -0.21 0.00 -1.95 0.00 0.00 55.36 52.83 1jg5 s GLN 8 Cb -0.01 -2.92 -0.06 0.00 -0.22 0.00 0.00 33.01 29.80 1jg5 s GLN 8 CO -0.11 0.49 1.17 0.96 -0.25 0.00 0.00 175.29 177.55 1jg5 s ILE 9 N -1.72 3.00 0.26 1.08 -4.36 -0.72 -4.01 121.20 114.73 1jg5 s ILE 9 Ca 0.37 0.68 -0.30 0.00 -0.26 0.00 0.00 60.65 61.14 1jg5 s ILE 9 Cb -0.12 -3.31 -0.09 0.00 1.25 0.00 0.00 42.46 40.19 1jg5 s ILE 9 CO 0.28 -0.08 1.13 -0.13 0.24 0.00 0.00 174.94 176.38 1jg5 s ARG 10 N -3.03 4.59 0.34 0.37 1.81 -1.26 -5.06 118.95 116.70 1jg5 s ARG 10 Ca 0.70 1.84 0.26 0.00 -1.72 0.00 0.00 55.73 56.81 1jg5 s ARG 10 Cb -0.28 -3.20 1.11 0.00 -0.45 0.00 0.00 34.95 32.14 1jg5 s ARG 10 CO 0.32 0.12 1.78 0.00 -0.68 0.00 0.00 175.30 176.85 1jg5 h MET 11 N 4.13 0.00 0.00 3.54 -0.00 -1.96 -3.18 114.93 117.46 1jg5 h MET 11 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.24 1jg5 h MET 11 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.81 1jg5 h MET 11 CO 0.69 0.00 0.00 0.93 -0.00 0.00 0.00 176.91 178.53 1jg5 h GLU 12 N 0.00 0.00 -5.51 -0.10 3.07 -1.99 -3.37 114.58 106.69 1jg5 h GLU 12 Ca 0.00 0.00 -0.53 0.00 -0.50 0.00 0.00 59.36 58.33 1jg5 h GLU 12 Cb 0.37 0.00 -0.14 0.00 -0.84 0.00 0.00 28.75 28.14 1jg5 h GLU 12 CO 0.00 0.00 -0.64 0.14 -1.40 0.00 0.00 179.01 177.11 1jg5 s VAL 13 N -3.43 1.66 0.00 3.13 -7.23 -1.20 -4.69 120.40 108.63 1jg5 s VAL 13 Ca 0.04 -2.07 0.00 0.00 -1.81 0.00 0.00 61.98 58.14 1jg5 s VAL 13 Cb 0.09 -2.69 0.00 0.00 0.56 0.00 0.00 36.38 34.33 1jg5 s VAL 13 CO 0.54 -0.14 0.00 0.61 -0.31 0.00 0.00 175.10 175.80 1jg5 n GLY 14 N -0.72 0.07 3.86 2.32 0.00 -1.20 -4.63 105.19 104.89 1jg5 n GLY 14 Ca -0.04 -1.82 -0.31 0.00 0.00 0.00 0.00 46.02 43.85 1jg5 n GLY 14 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jg5 s PRO 15 N -1.55 3.03 -0.13 1.61 0.04 -1.26 -4.98 135.00 131.77 1jg5 s PRO 15 Ca 0.00 0.66 0.03 0.00 0.04 0.00 0.00 61.00 61.72 1jg5 s PRO 15 Cb 0.00 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1jg5 s PRO 15 CO 0.00 -0.96 -0.21 0.99 0.04 0.00 0.00 177.00 176.86 1jg5 s THR 16 N -3.22 2.21 -0.24 1.26 2.01 0.57 -4.56 115.64 113.66 1jg5 s THR 16 Ca 0.57 -0.95 -0.24 0.00 0.31 0.00 0.00 61.69 61.39 1jg5 s THR 16 Cb -0.12 -1.88 -0.01 0.00 0.01 0.00 0.00 72.50 70.51 1jg5 s THR 16 CO 0.53 0.55 0.80 -0.04 -0.69 0.00 0.00 174.62 175.77 1jg5 s MET 17 N 0.60 4.18 -0.06 4.92 -1.94 -0.45 -1.29 119.30 125.26 1jg5 s MET 17 Ca -0.12 0.89 0.14 0.00 -1.71 0.00 0.00 55.69 54.89 1jg5 s MET 17 Cb -0.16 -3.64 0.46 0.00 2.01 0.00 0.00 34.83 33.50 1jg5 s MET 17 CO 0.03 -0.49 1.39 1.33 -0.01 0.00 0.00 175.02 177.27 1jg5 n VAL 18 N 5.21 1.43 0.00 -6.03 0.24 -0.57 -1.68 118.33 116.93 1jg5 n VAL 18 Ca 0.04 -1.23 0.00 0.00 -2.04 0.00 0.00 64.34 61.12 1jg5 n VAL 18 Cb 0.48 0.27 0.00 0.00 -1.47 0.00 0.00 33.84 33.12 1jg5 n VAL 18 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jg5 n GLY 19 N 0.51 2.95 3.05 7.63 0.00 -1.23 -4.88 105.19 113.22 1jg5 n GLY 19 Ca 0.17 -0.76 -0.20 0.00 0.00 0.00 0.00 46.02 45.24 1jg5 n GLY 19 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jg5 n ASP 20 N 0.00 0.73 0.00 1.61 5.75 -1.26 -1.00 116.55 122.38 1jg5 n ASP 20 Ca 0.00 -1.72 0.10 0.00 -0.01 0.00 0.00 54.79 53.16 1jg5 n ASP 20 Cb 0.00 -0.61 0.48 0.00 -1.03 0.00 0.00 41.12 39.97 1jg5 n ASP 20 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 1jg5 n GLU 21 N -2.71 0.18 -0.35 0.11 0.28 -1.25 -2.32 120.64 114.59 1jg5 n GLU 21 Ca 0.13 0.12 0.11 0.00 -0.16 0.00 0.00 57.16 57.36 1jg5 n GLU 21 Cb 0.46 -1.50 0.31 0.00 1.43 0.00 0.00 31.44 32.14 1jg5 n GLU 21 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 1jg5 n HIS 22 N -1.36 0.91 -2.11 -1.84 8.25 -1.26 -4.98 115.22 112.82 1jg5 n HIS 22 Ca 0.08 -0.48 -0.35 0.00 -0.26 0.00 0.00 57.72 56.71 1jg5 n HIS 22 Cb 0.19 -0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.32 1jg5 n HIS 22 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1jg5 s SER 23 N -1.04 5.42 -0.17 0.41 0.01 -0.98 -4.91 113.70 112.44 1jg5 s SER 23 Ca 0.47 2.28 -0.28 0.00 1.31 0.00 0.00 55.95 59.73 1jg5 s SER 23 Cb 0.25 -2.59 -0.06 0.00 0.21 0.00 0.00 66.02 63.83 1jg5 s SER 23 CO 0.32 -1.43 2.15 -0.62 0.41 0.00 0.00 173.24 174.07 1jg5 s ASP 24 N -1.70 5.68 0.44 2.44 3.68 -1.26 -4.84 116.67 121.10 1jg5 s ASP 24 Ca 0.75 2.03 0.12 0.00 2.13 0.00 0.00 52.55 57.57 1jg5 s ASP 24 Cb -0.27 -2.52 0.98 0.00 -1.45 0.00 0.00 42.92 39.66 1jg5 s ASP 24 CO 0.31 -1.76 2.03 1.55 0.13 0.00 0.00 175.17 177.42 1jg5 h PRO 25 N 14.03 0.19 -0.01 4.34 0.13 -1.97 -1.30 132.00 147.41 1jg5 h PRO 25 Ca -0.42 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1jg5 h PRO 25 Cb 1.23 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1jg5 h PRO 25 CO 0.96 0.23 0.00 1.49 -0.23 0.00 0.00 178.00 180.45 1jg5 h GLU 26 N 0.19 0.02 -0.89 0.86 4.81 -1.99 0.72 114.58 118.30 1jg5 h GLU 26 Ca 0.04 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1jg5 h GLU 26 Cb 0.17 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 1jg5 h GLU 26 CO 0.01 0.32 0.59 1.25 -0.73 0.00 0.00 179.01 180.44 1jg5 h LEU 27 N -0.28 1.01 -0.52 1.64 6.46 -1.87 -0.54 115.31 121.21 1jg5 h LEU 27 Ca 0.00 -0.02 -0.04 0.00 -0.12 0.00 0.00 57.88 57.70 1jg5 h LEU 27 Cb 0.31 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 39.97 1jg5 h LEU 27 CO 0.00 0.73 0.19 0.24 -0.62 0.00 0.00 178.44 178.98 1jg5 h MET 28 N 1.19 0.79 -0.41 1.25 2.86 -1.09 -2.37 114.93 117.16 1jg5 h MET 28 Ca 0.33 -0.16 0.07 0.00 -2.06 0.00 0.00 59.70 57.88 1jg5 h MET 28 Cb -0.12 -0.12 -0.06 0.00 0.06 0.00 0.00 31.60 31.35 1jg5 h MET 28 CO -0.08 0.71 0.05 0.37 1.06 0.00 0.00 176.91 179.03 1jg5 h GLN 29 N 0.71 0.17 -0.03 1.72 5.75 -0.25 -1.90 115.11 121.28 1jg5 h GLN 29 Ca 0.17 -0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.65 1jg5 h GLN 29 Cb 0.23 -0.04 -0.00 0.00 1.07 0.00 0.00 27.48 28.74 1jg5 h GLN 29 CO -0.01 0.11 -0.06 1.96 -2.65 0.00 0.00 178.83 178.18 1jg5 h GLN 30 N 0.17 0.04 -0.01 1.69 4.20 -0.67 -1.07 115.11 119.46 1jg5 h GLN 30 Ca 0.20 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.91 1jg5 h GLN 30 Cb 0.26 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.03 1jg5 h GLN 30 CO -0.29 0.10 -0.20 1.28 -0.67 0.00 0.00 178.83 179.05 1jg5 n LEU 31 N -4.45 0.90 -1.47 1.46 4.77 -0.80 -4.91 117.00 112.51 1jg5 n LEU 31 Ca -0.02 -0.20 -0.11 0.00 -0.03 0.00 0.00 56.01 55.64 1jg5 n LEU 31 Cb 0.15 -0.13 0.01 0.00 -2.33 0.00 0.00 43.42 41.12 1jg5 n LEU 31 CO 0.35 0.17 -0.08 0.61 -1.33 0.00 0.00 177.39 177.11 1jg5 n GLY 32 N 1.31 -0.03 3.84 -0.72 0.00 -0.40 -4.99 105.19 104.20 1jg5 n GLY 32 Ca 0.13 -0.37 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 1jg5 n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jg5 s ALA 33 N -2.70 2.92 0.16 4.61 0.00 -0.78 -4.86 121.76 121.10 1jg5 s ALA 33 Ca 0.07 0.13 0.11 0.00 0.00 0.00 0.00 51.96 52.27 1jg5 s ALA 33 Cb -0.03 -3.14 -0.04 0.00 0.00 0.00 0.00 23.12 19.90 1jg5 s ALA 33 CO 0.09 -0.70 -0.24 -1.12 0.00 0.00 0.00 175.76 173.78 1jg5 s SER 34 N -3.49 3.22 -0.10 0.00 0.01 -0.11 -4.81 113.70 108.42 1jg5 s SER 34 Ca 0.59 -0.80 -0.04 0.00 1.31 0.00 0.00 55.95 57.00 1jg5 s SER 34 Cb -0.12 -0.22 -0.04 0.00 0.21 0.00 0.00 66.02 65.85 1jg5 s SER 34 CO 0.44 0.12 0.07 -0.75 0.41 0.00 0.00 173.24 173.53 1jg5 s LYS 35 N -2.36 3.21 0.07 12.44 2.20 -1.26 -1.11 119.74 132.92 1jg5 s LYS 35 Ca 0.16 -0.28 -0.26 0.00 -0.36 0.00 0.00 55.97 55.23 1jg5 s LYS 35 Cb -0.09 -2.98 0.08 0.00 -1.51 0.00 0.00 37.83 33.33 1jg5 s LYS 35 CO 0.07 0.74 0.71 -0.98 -0.36 0.00 0.00 175.35 175.54 1jg5 s ARG 36 N -0.94 1.08 -0.11 4.03 1.70 -0.73 -4.97 118.95 119.00 1jg5 s ARG 36 Ca 0.14 -0.29 0.01 0.00 -0.47 0.00 0.00 55.73 55.12 1jg5 s ARG 36 Cb -0.12 0.50 -0.01 0.00 -0.57 0.00 0.00 34.95 34.75 1jg5 s ARG 36 CO 0.03 -0.45 -0.15 0.50 -1.08 0.00 0.00 175.30 174.15 1jg5 s ARG 37 N -3.07 3.21 0.01 3.89 3.52 -1.26 -0.68 118.95 124.55 1jg5 s ARG 37 Ca 0.00 -0.72 -0.08 0.00 -0.13 0.00 0.00 55.73 54.80 1jg5 s ARG 37 Cb -0.01 -2.54 -0.05 0.00 -1.56 0.00 0.00 34.95 30.79 1jg5 s ARG 37 CO -0.08 0.27 0.30 0.08 -0.81 0.00 0.00 175.30 175.06 1jg5 s VAL 38 N 0.19 5.24 -0.20 7.11 1.01 -1.26 -5.01 120.40 127.48 1jg5 s VAL 38 Ca -0.09 0.32 -0.30 0.00 0.00 0.00 0.00 61.98 61.91 1jg5 s VAL 38 Cb -0.15 -3.58 -0.07 0.00 0.00 0.00 0.00 36.38 32.57 1jg5 s VAL 38 CO 0.05 0.41 2.17 0.18 0.00 0.00 0.00 175.10 177.91 1jg5 n LEU 39 N 1.26 3.19 0.00 3.92 4.32 -1.26 -0.75 117.00 127.69 1jg5 n LEU 39 Ca -0.12 0.38 0.00 0.00 -0.02 0.00 0.00 56.01 56.25 1jg5 n LEU 39 Cb 0.53 -1.49 0.00 0.00 -1.62 0.00 0.00 43.42 40.84 1jg5 n LEU 39 CO 0.40 -0.54 0.00 0.61 -1.22 0.00 0.00 177.39 176.63 1jg5 n GLY 40 N 5.66 1.09 0.00 -0.72 0.00 -1.26 -5.10 105.19 104.85 1jg5 n GLY 40 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.32 1jg5 n GLY 40 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1jg5 n ASN 41 N 0.00 0.00 0.00 1.61 5.03 0.07 -5.04 115.26 116.94 1jg5 n ASN 41 Ca 0.00 -0.77 0.00 0.00 0.87 0.00 0.00 54.58 54.68 1jg5 n ASN 41 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 1jg5 n ASN 41 CO 0.00 0.00 0.00 -0.46 -1.83 0.00 0.00 177.26 174.97 1jg5 n ASN 42 N -2.30 0.00 -4.26 6.41 6.94 -1.26 -4.94 115.26 115.85 1jg5 n ASN 42 Ca 0.00 -0.96 -0.14 0.00 -0.02 0.00 0.00 54.58 53.46 1jg5 n ASN 42 Cb 0.00 0.00 -0.10 0.00 -2.36 0.00 0.00 39.78 37.32 1jg5 n ASN 42 CO 0.00 0.00 0.00 0.72 -1.03 0.00 0.00 177.26 176.95 1jg5 s PHE 43 N 0.00 1.28 0.29 -2.53 -0.12 -1.26 -5.14 117.98 110.49 1jg5 s PHE 43 Ca 0.00 -0.82 -0.03 0.00 -0.05 0.00 0.00 56.93 56.02 1jg5 s PHE 43 Cb 0.00 -0.68 -0.05 0.00 -0.63 0.00 0.00 43.02 41.66 1jg5 s PHE 43 CO 0.00 0.02 0.53 0.71 -0.05 0.00 0.00 175.22 176.43 1jg5 s TYR 44 N -3.40 3.48 0.02 3.49 1.51 -1.26 -4.46 117.35 116.73 1jg5 s TYR 44 Ca 0.19 0.55 0.01 0.00 -1.01 0.00 0.00 57.07 56.82 1jg5 s TYR 44 Cb 0.04 -2.04 -0.01 0.00 -0.11 0.00 0.00 41.96 39.84 1jg5 s TYR 44 CO 0.02 0.19 -0.05 -1.83 -1.11 0.00 0.00 175.55 172.76 1jg5 s GLU 45 N -3.66 0.39 0.01 -0.62 -1.05 0.14 -3.81 118.70 110.10 1jg5 s GLU 45 Ca 0.42 -0.45 -0.07 0.00 -0.15 0.00 0.00 54.97 54.72 1jg5 s GLU 45 Cb -0.11 -0.23 -0.05 0.00 -0.44 0.00 0.00 34.13 33.31 1jg5 s GLU 45 CO 0.31 0.05 0.28 0.71 0.95 0.00 0.00 175.26 177.56 1jg5 s TYR 46 N -0.81 3.58 0.19 4.83 1.51 -0.17 -1.78 117.35 124.69 1jg5 s TYR 46 Ca -0.06 0.61 -0.21 0.00 -1.01 0.00 0.00 57.07 56.41 1jg5 s TYR 46 Cb -0.06 -2.02 0.05 0.00 -0.11 0.00 0.00 41.96 39.82 1jg5 s TYR 46 CO -0.00 0.61 0.58 1.52 -1.11 0.00 0.00 175.55 177.15 1jg5 s TYR 47 N -1.30 -0.33 0.10 2.71 -0.85 -0.27 -1.52 117.35 115.89 1jg5 s TYR 47 Ca 0.28 0.03 0.02 0.00 -0.52 0.00 0.00 57.07 56.88 1jg5 s TYR 47 Cb -0.13 0.51 -0.04 0.00 0.38 0.00 0.00 41.96 42.68 1jg5 s TYR 47 CO 0.16 -0.92 -0.07 0.14 -1.52 0.00 0.00 175.55 173.34 1jg5 s VAL 48 N -3.82 0.73 -1.68 -3.49 -7.23 -0.41 -0.93 120.40 103.57 1jg5 s VAL 48 Ca 0.05 -1.85 0.26 0.00 -1.81 0.00 0.00 61.98 58.62 1jg5 s VAL 48 Cb -0.02 -1.58 0.18 0.00 0.56 0.00 0.00 36.38 35.52 1jg5 s VAL 48 CO -0.07 -0.80 1.46 0.59 -0.31 0.00 0.00 175.10 175.97 1jg5 n ASN 49 N 0.11 1.10 -4.75 4.85 4.13 -1.26 -0.32 115.26 119.12 1jg5 n ASN 49 Ca -0.13 -0.90 -0.36 0.00 1.68 0.00 0.00 54.58 54.87 1jg5 n ASN 49 Cb 0.60 0.22 0.04 0.00 -1.54 0.00 0.00 39.78 39.10 1jg5 n ASN 49 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 1jg5 s ASP 50 N -2.57 5.13 0.52 6.41 -0.00 -1.26 -3.27 116.67 121.63 1jg5 s ASP 50 Ca 0.21 2.37 -0.16 0.00 -0.00 0.00 0.00 52.55 54.97 1jg5 s ASP 50 Cb 0.19 -2.60 -0.08 0.00 -0.00 0.00 0.00 42.92 40.43 1jg5 s ASP 50 CO 0.56 -1.63 0.99 -2.16 -0.00 0.00 0.00 175.17 172.93 1jg5 s PRO 51 N -3.39 3.93 0.30 8.23 0.04 -1.26 -3.80 135.00 139.04 1jg5 s PRO 51 Ca 0.77 0.95 0.11 0.00 0.04 0.00 0.00 61.00 62.87 1jg5 s PRO 51 Cb -0.30 -2.13 0.96 0.00 0.04 0.00 0.00 34.50 33.07 1jg5 s PRO 51 CO 0.34 -0.29 1.37 -2.30 0.04 0.00 0.00 177.00 176.16 1jg5 n PRO 52 N -1.64 -0.06 -0.11 0.56 -0.02 -1.26 -1.51 135.00 130.96 1jg5 n PRO 52 Ca 0.07 1.25 -0.06 0.00 -2.02 0.00 0.00 63.50 62.73 1jg5 n PRO 52 Cb 0.54 -2.12 0.02 0.00 -0.02 0.00 0.00 33.50 31.91 1jg5 n PRO 52 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1jg5 h ARG 53 N 0.00 0.29 -0.25 -0.52 2.43 -1.92 0.19 114.38 114.59 1jg5 h ARG 53 Ca 0.65 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.80 1jg5 h ARG 53 Cb 1.59 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 31.06 1jg5 h ARG 53 CO -0.73 0.19 0.13 0.82 -1.51 0.00 0.00 179.97 178.86 1jg5 h ILE 54 N 0.30 1.13 -0.70 1.20 5.03 -1.65 -2.35 117.51 120.47 1jg5 h ILE 54 Ca 0.17 -0.36 0.04 0.00 -0.12 0.00 0.00 64.86 64.59 1jg5 h ILE 54 Cb 0.14 0.92 -0.05 0.00 -3.03 0.00 0.00 36.82 34.80 1jg5 h ILE 54 CO -0.17 0.13 0.43 0.58 -0.68 0.00 0.00 178.15 178.44 1jg5 h VAL 55 N 0.28 1.07 -0.78 1.67 2.07 -1.40 -0.98 116.25 118.18 1jg5 h VAL 55 Ca 0.09 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 1jg5 h VAL 55 Cb 0.09 0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 29.99 1jg5 h VAL 55 CO -0.01 0.15 0.45 -0.07 0.02 0.00 0.00 177.57 178.11 1jg5 h LEU 56 N 0.84 0.94 -0.34 2.57 3.38 -0.75 0.17 115.31 122.12 1jg5 h LEU 56 Ca 0.29 -0.07 -0.15 0.00 0.09 0.00 0.00 57.88 58.04 1jg5 h LEU 56 Cb 0.05 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 1jg5 h LEU 56 CO -0.12 0.74 -0.38 0.44 0.09 0.00 0.00 178.44 179.21 1jg5 h ASP 57 N 1.08 0.93 -0.69 -0.43 3.45 -0.92 -0.83 116.42 119.00 1jg5 h ASP 57 Ca 0.28 -0.48 -0.05 0.00 0.43 0.00 0.00 57.03 57.21 1jg5 h ASP 57 Cb -0.01 -0.26 -0.03 0.00 -0.56 0.00 0.00 39.33 38.47 1jg5 h ASP 57 CO -0.05 1.22 0.23 0.11 -1.57 0.00 0.00 179.24 179.18 1jg5 h LYS 58 N 0.66 1.08 0.00 3.56 1.57 -0.71 -2.24 116.57 120.48 1jg5 h LYS 58 Ca 0.05 -0.22 -0.08 0.00 -1.87 0.00 0.00 60.65 58.53 1jg5 h LYS 58 Cb 0.97 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 1jg5 h LYS 58 CO 0.09 0.91 -0.38 -0.07 -0.57 0.00 0.00 179.45 179.43 1jg5 h LEU 59 N 1.04 0.00 -0.88 2.94 3.38 -0.83 -2.92 115.31 118.04 1jg5 h LEU 59 Ca 0.23 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.12 1jg5 h LEU 59 Cb 0.28 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1jg5 h LEU 59 CO -0.01 0.38 -0.01 -0.08 0.09 0.00 0.00 178.44 178.82 1jg5 h GLU 60 N 0.00 0.82 0.00 1.13 4.81 -0.55 -0.99 114.58 119.81 1jg5 h GLU 60 Ca -0.00 -0.23 -0.04 0.00 -0.13 0.00 0.00 59.36 58.96 1jg5 h GLU 60 Cb 0.87 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.15 1jg5 h GLU 60 CO 0.05 0.83 -0.17 0.00 -0.73 0.00 0.00 179.01 178.99 1jg5 n ARG 62 N -4.09 1.64 -0.41 0.00 3.00 -0.79 -4.90 116.66 111.11 1jg5 n ARG 62 Ca -0.02 -0.98 0.00 0.00 -0.01 0.00 0.00 57.85 56.84 1jg5 n ARG 62 Cb 0.25 -1.29 0.00 0.00 0.00 0.00 0.00 32.46 31.42 1jg5 n ARG 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1jg5 n GLY 63 N 1.01 0.74 3.80 -0.13 0.00 -0.71 -5.06 105.19 104.84 1jg5 n GLY 63 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 1jg5 n GLY 63 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jg5 s PHE 64 N -2.50 3.75 0.13 1.61 0.08 -0.44 -4.53 117.98 116.08 1jg5 s PHE 64 Ca 0.00 1.18 0.08 0.00 0.12 0.00 0.00 56.93 58.31 1jg5 s PHE 64 Cb 0.00 -2.47 -0.04 0.00 -0.57 0.00 0.00 43.02 39.94 1jg5 s PHE 64 CO 0.00 0.54 -0.19 -0.98 -0.10 0.00 0.00 175.22 174.48 1jg5 s ARG 65 N -0.84 1.20 -0.07 0.44 1.70 -0.48 -3.74 118.95 117.15 1jg5 s ARG 65 Ca 0.28 -1.29 -0.30 0.00 -0.47 0.00 0.00 55.73 53.95 1jg5 s ARG 65 Cb -0.18 -1.35 -0.02 0.00 -0.57 0.00 0.00 34.95 32.82 1jg5 s ARG 65 CO 0.17 0.29 1.09 0.08 -1.08 0.00 0.00 175.30 175.85 1jg5 s VAL 66 N -1.63 4.55 -0.20 4.99 1.01 -1.26 -0.73 120.40 127.14 1jg5 s VAL 66 Ca 0.11 1.84 0.16 0.00 0.00 0.00 0.00 61.98 64.09 1jg5 s VAL 66 Cb -0.08 -4.18 -0.23 0.00 0.00 0.00 0.00 36.38 31.89 1jg5 s VAL 66 CO 0.05 0.01 0.04 0.18 0.00 0.00 0.00 175.10 175.39 1jg5 n LEU 67 N 4.99 0.30 -3.48 3.92 4.77 0.88 -4.93 117.00 123.45 1jg5 n LEU 67 Ca 0.09 -0.01 -0.11 0.00 -0.03 0.00 0.00 56.01 55.95 1jg5 n LEU 67 Cb 0.48 0.34 -0.03 0.00 -2.33 0.00 0.00 43.42 41.88 1jg5 n LEU 67 CO 0.53 0.52 0.55 -0.55 -1.33 0.00 0.00 177.39 177.11 1jg5 s SER 68 N -5.47 -0.49 -0.00 -1.43 0.15 -1.08 -5.01 113.70 100.38 1jg5 s SER 68 Ca -0.12 0.14 -0.01 0.00 0.70 0.00 0.00 55.95 56.66 1jg5 s SER 68 Cb 0.06 0.48 -0.00 0.00 -1.71 0.00 0.00 66.02 64.85 1jg5 s SER 68 CO 0.77 -0.73 0.02 -0.32 1.20 0.00 0.00 173.24 174.17 1jg5 s MET 69 N -2.92 0.12 0.09 5.44 1.75 -1.26 -0.54 119.30 121.98 1jg5 s MET 69 Ca 0.01 -0.14 -0.23 0.00 -1.25 0.00 0.00 55.69 54.07 1jg5 s MET 69 Cb -0.01 0.04 0.06 0.00 2.84 0.00 0.00 34.83 37.77 1jg5 s MET 69 CO -0.07 -0.02 0.56 -0.08 -0.65 0.00 0.00 175.02 174.76 1jg5 s THR 70 N -0.40 0.02 0.07 10.11 -1.32 0.75 -4.98 115.64 119.88 1jg5 s THR 70 Ca -0.05 -0.15 0.04 0.00 -1.21 0.00 0.00 61.69 60.32 1jg5 s THR 70 Cb -0.03 -1.01 -0.04 0.00 -1.51 0.00 0.00 72.50 69.91 1jg5 s THR 70 CO -0.00 -0.09 0.00 -0.83 -2.21 0.00 0.00 174.62 171.49 1jg5 s GLY 71 N -2.26 1.91 -0.18 6.08 0.00 -1.26 0.03 107.32 111.64 1jg5 s GLY 71 Ca -0.03 -1.08 -0.04 0.00 0.00 0.00 0.00 44.72 43.57 1jg5 s GLY 71 CO -0.06 -1.04 0.28 0.54 0.00 0.00 0.00 173.10 172.83 1jg5 s VAL 72 N -1.27 -0.44 0.00 1.40 0.11 -0.50 -4.98 120.40 114.72 1jg5 s VAL 72 Ca 0.25 0.08 0.00 0.00 -2.93 0.00 0.00 61.98 59.37 1jg5 s VAL 72 Cb -0.12 -0.61 0.00 0.00 -1.53 0.00 0.00 36.38 34.13 1jg5 s VAL 72 CO 0.17 -0.04 0.00 0.61 -3.33 0.00 0.00 175.10 172.51 1jg5 n GLY 73 N 5.35 2.36 0.10 6.54 0.00 -1.26 -1.44 105.19 116.84 1jg5 n GLY 73 Ca -0.06 -0.09 0.03 0.00 0.00 0.00 0.00 46.02 45.90 1jg5 n GLY 73 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1jg5 n GLN 74 N 6.50 2.62 -4.20 1.61 1.13 -1.26 -5.02 117.38 118.76 1jg5 n GLN 74 Ca 0.00 -1.82 -0.35 0.00 -1.94 0.00 0.00 57.00 52.89 1jg5 n GLN 74 Cb 0.00 -1.16 -0.09 0.00 0.11 0.00 0.00 30.24 29.11 1jg5 n GLN 74 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1jg5 s THR 75 N -1.45 4.68 -0.17 5.09 2.01 -0.52 -1.75 115.64 123.53 1jg5 s THR 75 Ca 0.10 -0.10 -0.07 0.00 0.31 0.00 0.00 61.69 61.93 1jg5 s THR 75 Cb 0.08 -3.01 -0.04 0.00 0.01 0.00 0.00 72.50 69.54 1jg5 s THR 75 CO 0.02 0.59 0.07 -0.76 -0.69 0.00 0.00 174.62 173.85 1jg5 s LEU 76 N -0.72 3.90 -0.03 4.42 1.43 0.98 -1.41 118.68 127.25 1jg5 s LEU 76 Ca 0.12 0.15 0.05 0.00 -1.03 0.00 0.00 54.13 53.42 1jg5 s LEU 76 Cb -0.12 -1.98 -0.01 0.00 0.03 0.00 0.00 46.19 44.12 1jg5 s LEU 76 CO 0.02 0.22 -0.19 -0.69 0.23 0.00 0.00 176.35 175.95 1jg5 s VAL 77 N 0.09 1.52 -0.06 -1.59 1.01 0.10 -1.63 120.40 119.85 1jg5 s VAL 77 Ca 0.06 -0.79 0.04 0.00 0.00 0.00 0.00 61.98 61.29 1jg5 s VAL 77 Cb -0.12 -1.29 -0.00 0.00 0.00 0.00 0.00 36.38 34.97 1jg5 s VAL 77 CO 0.00 0.43 -0.20 0.26 0.00 0.00 0.00 175.10 175.60 1jg5 s TRP 78 N -0.19 2.01 -0.23 5.22 0.51 -0.77 -0.18 118.94 125.31 1jg5 s TRP 78 Ca 0.01 -0.65 -0.04 0.00 -2.12 0.00 0.00 56.10 53.30 1jg5 s TRP 78 Cb -0.10 -1.35 -0.01 0.00 -0.81 0.00 0.00 33.47 31.20 1jg5 s TRP 78 CO 0.01 -0.23 -0.02 0.00 -0.51 0.00 0.00 176.95 176.20 1jg5 s LEU 80 N 1.49 2.99 0.10 0.00 1.02 0.23 -0.08 118.68 124.42 1jg5 s LEU 80 Ca 0.05 -0.42 0.05 0.00 0.02 0.00 0.00 54.13 53.83 1jg5 s LEU 80 Cb -0.15 -1.78 -0.03 0.00 0.02 0.00 0.00 46.19 44.24 1jg5 s LEU 80 CO -0.02 0.17 -0.14 -2.28 0.02 0.00 0.00 176.35 174.11 1jg5 s HIS 81 N -1.23 1.30 -0.05 0.29 2.46 0.09 -0.48 115.29 117.68 1jg5 s HIS 81 Ca 0.21 -0.52 -0.02 0.00 0.47 0.00 0.00 55.06 55.19 1jg5 s HIS 81 Cb -0.11 -0.70 0.03 0.00 -0.13 0.00 0.00 32.58 31.66 1jg5 s HIS 81 CO 0.13 0.10 0.10 0.21 -2.47 0.00 0.00 174.74 172.81 1jg5 s LYS 82 N -2.29 0.07 0.00 2.88 2.20 -0.41 -1.39 119.74 120.79 1jg5 s LYS 82 Ca 0.04 0.26 0.00 0.00 -0.36 0.00 0.00 55.97 55.91 1jg5 s LYS 82 Cb -0.07 -0.13 0.00 0.00 -1.51 0.00 0.00 37.83 36.12 1jg5 s LYS 82 CO 0.02 -0.12 0.36 0.39 -0.36 0.00 0.00 175.35 175.64