#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 2.90 0.01 0.54 2.02 -1.26 -1.54 117.35 120.01 1jg5 s TYR 2 Ca 0.00 -0.16 0.00 0.00 -0.37 0.00 0.00 57.07 56.54 1jg5 s TYR 2 Cb 0.00 -1.31 -0.01 0.00 -0.40 0.00 0.00 41.96 40.25 1jg5 s TYR 2 CO 0.00 0.57 -0.01 -1.17 -1.57 0.00 0.00 175.55 173.37 1jg5 s LEU 3 N -3.68 2.08 -0.11 -1.29 2.96 0.60 -4.99 118.68 114.25 1jg5 s LEU 3 Ca 0.32 -0.17 0.01 0.00 -0.22 0.00 0.00 54.13 54.07 1jg5 s LEU 3 Cb -0.07 0.02 0.02 0.00 0.50 0.00 0.00 46.19 46.66 1jg5 s LEU 3 CO 0.22 -0.10 -0.13 -0.76 -1.32 0.00 0.00 176.35 174.27 1jg5 s LEU 4 N -0.49 1.59 0.15 -0.68 1.43 -1.26 -0.86 118.68 118.57 1jg5 s LEU 4 Ca -0.05 -0.39 0.06 0.00 -1.03 0.00 0.00 54.13 52.71 1jg5 s LEU 4 Cb -0.03 -1.02 -0.04 0.00 0.03 0.00 0.00 46.19 45.13 1jg5 s LEU 4 CO -0.00 -0.02 -0.13 0.27 0.23 0.00 0.00 176.35 176.69 1jg5 s ILE 5 N 1.18 1.39 0.28 -0.59 -4.36 -0.86 -4.34 121.20 113.90 1jg5 s ILE 5 Ca -0.03 -1.93 -0.13 0.00 -0.26 0.00 0.00 60.65 58.30 1jg5 s ILE 5 Cb -0.14 -1.74 0.01 0.00 1.25 0.00 0.00 42.46 41.83 1jg5 s ILE 5 CO -0.04 -0.55 0.55 -0.94 0.24 0.00 0.00 174.94 174.21 1jg5 s SER 6 N -2.85 0.03 -0.05 4.36 1.04 -0.79 -0.91 113.70 114.53 1jg5 s SER 6 Ca 0.14 -0.98 -0.30 0.00 0.48 0.00 0.00 55.95 55.30 1jg5 s SER 6 Cb -0.02 0.65 0.09 0.00 0.10 0.00 0.00 66.02 66.84 1jg5 s SER 6 CO 0.03 -1.26 0.76 0.28 0.98 0.00 0.00 173.24 174.04 1jg5 s THR 7 N -3.68 0.00 0.30 2.02 -1.32 -0.79 -1.37 115.64 110.81 1jg5 s THR 7 Ca 0.21 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.57 1jg5 s THR 7 Cb -0.02 -1.00 -0.08 0.00 -1.51 0.00 0.00 72.50 69.89 1jg5 s THR 7 CO 0.11 0.00 0.67 -1.10 -2.21 0.00 0.00 174.62 172.09 1jg5 s GLN 8 N -1.59 3.89 0.48 7.08 -1.52 -1.26 -0.72 119.66 126.02 1jg5 s GLN 8 Ca -0.06 0.48 -0.22 0.00 -1.95 0.00 0.00 55.36 53.61 1jg5 s GLN 8 Cb -0.00 -2.51 -0.07 0.00 -0.22 0.00 0.00 33.01 30.21 1jg5 s GLN 8 CO 0.04 0.19 1.14 0.96 -0.25 0.00 0.00 175.29 177.37 1jg5 s ILE 9 N -1.98 3.20 0.36 1.08 -4.36 -0.16 -4.07 121.20 115.26 1jg5 s ILE 9 Ca 0.51 0.84 -0.26 0.00 -0.26 0.00 0.00 60.65 61.49 1jg5 s ILE 9 Cb -0.11 -3.40 -0.09 0.00 1.25 0.00 0.00 42.46 40.12 1jg5 s ILE 9 CO 0.21 -0.07 1.06 -0.13 0.24 0.00 0.00 174.94 176.25 1jg5 s ARG 10 N -2.90 4.32 0.21 0.37 1.81 -1.26 -5.06 118.95 116.45 1jg5 s ARG 10 Ca 0.66 1.60 0.25 0.00 -1.72 0.00 0.00 55.73 56.52 1jg5 s ARG 10 Cb -0.26 -2.75 0.90 0.00 -0.45 0.00 0.00 34.95 32.39 1jg5 s ARG 10 CO 0.31 -0.02 1.75 0.00 -0.68 0.00 0.00 175.30 176.66 1jg5 n MET 11 N 0.34 0.21 0.29 3.54 0.00 -1.26 -3.62 117.12 116.63 1jg5 n MET 11 Ca 0.03 0.29 0.19 0.00 0.00 0.00 0.00 57.70 58.21 1jg5 n MET 11 Cb 0.48 -1.80 0.85 0.00 0.00 0.00 0.00 33.22 32.75 1jg5 n MET 11 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 1jg5 h GLU 12 N 0.00 0.00 -5.23 3.17 3.07 -1.99 -3.36 114.58 110.24 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 0.55 0.00 -0.14 0.00 -0.84 0.00 0.00 28.75 28.32 1jg5 h GLU 12 CO 0.00 0.00 -0.58 0.14 -1.40 0.00 0.00 179.01 177.17 1jg5 s VAL 13 N -3.81 1.15 0.00 3.13 -7.23 -1.24 -4.75 120.40 107.65 1jg5 s VAL 13 Ca -0.01 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.16 1jg5 s VAL 13 Cb 0.10 -2.67 0.00 0.00 0.56 0.00 0.00 36.38 34.37 1jg5 s VAL 13 CO 0.50 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.90 1jg5 n GLY 14 N -0.81 1.71 3.80 2.32 0.00 -1.24 -4.45 105.19 106.52 1jg5 n GLY 14 Ca -0.05 -2.06 -0.29 0.00 0.00 0.00 0.00 46.02 43.62 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 0.09 1.51 -0.17 1.61 0.04 -1.26 -4.98 135.00 131.84 1jg5 s PRO 15 Ca 0.00 0.42 0.01 0.00 0.04 0.00 0.00 61.00 61.46 1jg5 s PRO 15 Cb 0.00 -1.87 0.03 0.00 0.04 0.00 0.00 34.50 32.70 1jg5 s PRO 15 CO 0.00 -1.97 -0.15 0.99 0.04 0.00 0.00 177.00 175.92 1jg5 s THR 16 N -3.24 1.73 0.06 1.26 2.01 -0.10 -4.62 115.64 112.74 1jg5 s THR 16 Ca 0.63 -0.84 -0.31 0.00 0.31 0.00 0.00 61.69 61.48 1jg5 s THR 16 Cb -0.15 -1.66 -0.07 0.00 0.01 0.00 0.00 72.50 70.64 1jg5 s THR 16 CO 0.54 0.39 1.44 -0.04 -0.69 0.00 0.00 174.62 176.26 1jg5 s MET 17 N 1.40 4.28 0.00 4.92 -1.94 -0.47 -2.41 119.30 125.08 1jg5 s MET 17 Ca 0.03 2.07 0.03 0.00 -1.71 0.00 0.00 55.69 56.11 1jg5 s MET 17 Cb -0.14 -3.44 0.02 0.00 2.01 0.00 0.00 34.83 33.28 1jg5 s MET 17 CO -0.10 -0.55 0.58 1.33 -0.01 0.00 0.00 175.02 176.27 1jg5 n VAL 18 N 4.37 0.00 -3.61 -6.03 0.24 0.19 -1.89 118.33 111.60 1jg5 n VAL 18 Ca 0.13 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.93 1jg5 n VAL 18 Cb 0.43 1.06 -0.01 0.00 -1.47 0.00 0.00 33.84 33.85 1jg5 n VAL 18 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1jg5 s GLY 19 N -0.27 -0.39 0.59 7.63 0.00 -1.13 -4.80 107.32 108.95 1jg5 s GLY 19 Ca 0.03 0.94 0.09 0.00 0.00 0.00 0.00 44.72 45.78 1jg5 s GLY 19 CO 0.04 0.23 0.70 0.51 0.00 0.00 0.00 173.10 174.58 1jg5 s ASP 20 N -2.78 4.89 0.04 1.64 -4.77 -1.26 -2.23 116.67 112.20 1jg5 s ASP 20 Ca 0.13 -1.03 0.12 0.00 -3.30 0.00 0.00 52.55 48.47 1jg5 s ASP 20 Cb 0.04 0.48 0.53 0.00 -1.09 0.00 0.00 42.92 42.88 1jg5 s ASP 20 CO -0.04 -1.36 1.38 -1.84 0.70 0.00 0.00 175.17 174.02 1jg5 n GLU 21 N -2.16 0.03 -0.47 2.11 0.28 -1.22 -2.00 120.64 117.20 1jg5 n GLU 21 Ca 0.11 0.35 0.08 0.00 -0.16 0.00 0.00 57.16 57.54 1jg5 n GLU 21 Cb 0.63 -1.56 0.28 0.00 1.43 0.00 0.00 31.44 32.22 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 -1.61 1.09 -2.18 -1.84 8.25 -1.26 -5.01 115.22 112.66 1jg5 n HIS 22 Ca 0.02 -0.67 -0.36 0.00 -0.26 0.00 0.00 57.72 56.45 1jg5 n HIS 22 Cb 0.13 -0.23 0.01 0.00 1.12 0.00 0.00 29.99 31.02 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 -1.25 5.60 -0.33 0.41 0.01 -0.85 -4.89 113.70 112.40 1jg5 s SER 23 Ca 0.41 2.27 -0.29 0.00 1.31 0.00 0.00 55.95 59.65 1jg5 s SER 23 Cb 0.28 -2.59 -0.07 0.00 0.21 0.00 0.00 66.02 63.86 1jg5 s SER 23 CO 0.17 -1.30 2.29 -0.67 0.41 0.00 0.00 173.24 174.13 1jg5 n ASP 24 N -1.29 2.77 -0.33 2.44 4.64 -1.26 -4.84 116.55 118.68 1jg5 n ASP 24 Ca 0.12 0.03 0.10 0.00 -1.38 0.00 0.00 54.79 53.65 1jg5 n ASP 24 Cb 0.50 -1.51 0.30 0.00 -1.04 0.00 0.00 41.12 39.37 1jg5 n ASP 24 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 1jg5 h PRO 25 N 15.95 0.82 -0.64 -0.67 0.13 -1.98 -0.32 132.00 145.29 1jg5 h PRO 25 Ca -0.34 -0.05 -0.06 0.00 -0.87 0.00 0.00 66.00 64.68 1jg5 h PRO 25 Cb 1.26 -0.19 -0.03 0.00 0.13 0.00 0.00 31.00 32.18 1jg5 h PRO 25 CO 1.03 0.55 0.16 1.49 -0.23 0.00 0.00 178.00 181.00 1jg5 h GLU 26 N 0.85 1.01 -0.24 0.86 4.81 -2.00 -0.94 114.58 118.92 1jg5 h GLU 26 Ca 0.49 -0.23 -0.18 0.00 -0.13 0.00 0.00 59.36 59.32 1jg5 h GLU 26 Cb 0.64 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.88 1jg5 h GLU 26 CO -0.26 0.89 -0.55 1.25 -0.73 0.00 0.00 179.01 179.61 1jg5 h LEU 27 N 0.96 0.90 -1.47 1.64 6.46 -1.70 -2.65 115.31 119.46 1jg5 h LEU 27 Ca 0.20 -0.56 -0.01 0.00 -0.12 0.00 0.00 57.88 57.40 1jg5 h LEU 27 Cb 0.34 -0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 39.99 1jg5 h LEU 27 CO 0.00 1.29 0.25 0.24 -0.62 0.00 0.00 178.44 179.60 1jg5 h MET 28 N 0.55 0.60 -0.07 1.25 2.86 -0.82 -2.51 114.93 116.79 1jg5 h MET 28 Ca -0.00 -0.05 -0.19 0.00 -2.06 0.00 0.00 59.70 57.40 1jg5 h MET 28 Cb 1.16 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 32.69 1jg5 h MET 28 CO 0.12 0.44 -0.75 0.37 1.06 0.00 0.00 176.91 178.15 1jg5 h GLN 29 N 0.61 0.42 0.00 1.72 4.15 -1.03 -1.29 115.11 119.68 1jg5 h GLN 29 Ca 0.16 -0.35 -0.01 0.00 0.77 0.00 0.00 58.65 59.21 1jg5 h GLN 29 Cb 0.01 0.08 -0.00 0.00 0.21 0.00 0.00 27.48 27.77 1jg5 h GLN 29 CO -0.03 0.99 -0.07 1.96 -1.93 0.00 0.00 178.83 179.76 1jg5 h GLN 30 N 0.28 0.00 0.00 1.69 4.20 -1.09 -0.83 115.11 119.36 1jg5 h GLN 30 Ca -0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1jg5 h GLN 30 Cb 1.34 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.12 1jg5 h GLN 30 CO 0.13 0.07 -0.48 1.28 -0.67 0.00 0.00 178.83 179.15 1jg5 n LEU 31 N -3.30 0.53 -0.93 1.46 4.77 -1.08 -4.93 117.00 113.52 1jg5 n LEU 31 Ca -0.01 0.16 -0.07 0.00 -0.03 0.00 0.00 56.01 56.07 1jg5 n LEU 31 Cb 0.25 -0.25 0.01 0.00 -2.33 0.00 0.00 43.42 41.10 1jg5 n LEU 31 CO 0.27 0.03 -0.03 0.61 -1.33 0.00 0.00 177.39 176.94 1jg5 n GLY 32 N 1.43 0.23 3.84 -0.72 0.00 -0.32 -5.02 105.19 104.64 1jg5 n GLY 32 Ca 0.05 -0.56 -0.31 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.55 2.86 0.23 4.61 0.00 -0.51 -4.87 121.76 121.53 1jg5 s ALA 33 Ca 0.05 0.04 0.09 0.00 0.00 0.00 0.00 51.96 52.14 1jg5 s ALA 33 Cb -0.02 -3.14 -0.05 0.00 0.00 0.00 0.00 23.12 19.91 1jg5 s ALA 33 CO 0.07 -0.96 -0.16 -1.12 0.00 0.00 0.00 175.76 173.59 1jg5 s SER 34 N -3.85 2.91 -0.01 0.00 0.01 -0.07 -4.81 113.70 107.88 1jg5 s SER 34 Ca 0.57 -1.02 0.01 0.00 1.31 0.00 0.00 55.95 56.83 1jg5 s SER 34 Cb -0.13 -0.19 -0.04 0.00 0.21 0.00 0.00 66.02 65.88 1jg5 s SER 34 CO 0.53 -0.10 0.01 -0.75 0.41 0.00 0.00 173.24 173.34 1jg5 s LYS 35 N -3.57 2.82 -0.10 12.44 2.20 -1.26 -1.34 119.74 130.93 1jg5 s LYS 35 Ca 0.25 -0.59 -0.30 0.00 -0.36 0.00 0.00 55.97 54.97 1jg5 s LYS 35 Cb -0.02 -2.69 0.11 0.00 -1.51 0.00 0.00 37.83 33.72 1jg5 s LYS 35 CO 0.09 0.63 0.94 -0.98 -0.36 0.00 0.00 175.35 175.67 1jg5 s ARG 36 N -1.53 0.71 -0.26 4.03 1.70 -0.97 -5.01 118.95 117.61 1jg5 s ARG 36 Ca 0.19 -0.01 0.02 0.00 -0.47 0.00 0.00 55.73 55.47 1jg5 s ARG 36 Cb -0.12 0.33 0.06 0.00 -0.57 0.00 0.00 34.95 34.65 1jg5 s ARG 36 CO 0.10 -0.26 -0.10 0.50 -1.08 0.00 0.00 175.30 174.47 1jg5 s ARG 37 N -1.84 2.31 0.41 3.89 3.52 -1.26 -2.03 118.95 123.95 1jg5 s ARG 37 Ca 0.00 -1.31 -0.25 0.00 -0.13 0.00 0.00 55.73 54.04 1jg5 s ARG 37 Cb -0.01 -2.92 -0.08 0.00 -1.56 0.00 0.00 34.95 30.38 1jg5 s ARG 37 CO -0.02 -0.56 1.18 0.08 -0.81 0.00 0.00 175.30 175.18 1jg5 s VAL 38 N 1.13 3.10 0.30 7.11 1.01 -1.26 -4.95 120.40 126.85 1jg5 s VAL 38 Ca -0.08 0.91 -0.30 0.00 0.00 0.00 0.00 61.98 62.52 1jg5 s VAL 38 Cb -0.20 -3.51 -0.11 0.00 0.00 0.00 0.00 36.38 32.56 1jg5 s VAL 38 CO -0.05 0.08 1.56 -0.22 0.00 0.00 0.00 175.10 176.46 1jg5 s LEU 39 N -2.56 4.34 0.00 3.92 2.96 -1.26 -2.06 118.68 124.03 1jg5 s LEU 39 Ca 0.58 2.94 0.00 0.00 -0.22 0.00 0.00 54.13 57.43 1jg5 s LEU 39 Cb -0.31 -3.64 0.00 0.00 0.50 0.00 0.00 46.19 42.74 1jg5 s LEU 39 CO 0.39 -0.88 0.00 0.61 -1.32 0.00 0.00 176.35 175.15 1jg5 n GLY 40 N 1.84 0.73 3.05 7.98 0.00 -1.26 -5.05 105.19 112.49 1jg5 n GLY 40 Ca 0.07 -0.16 -0.28 0.00 0.00 0.00 0.00 46.02 45.65 1jg5 n GLY 40 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jg5 s ASN 41 N -2.14 2.34 -0.14 1.61 0.02 -0.87 -5.00 114.94 110.75 1jg5 s ASN 41 Ca 0.00 -0.41 0.05 0.00 -1.02 0.00 0.00 52.86 51.48 1jg5 s ASN 41 Cb 0.00 -1.05 0.35 0.00 0.02 0.00 0.00 41.25 40.57 1jg5 s ASN 41 CO 0.00 0.02 1.20 -0.46 0.02 0.00 0.00 177.10 177.88 1jg5 n ASN 42 N 4.12 3.24 -3.88 -1.22 0.23 -1.26 -4.79 115.26 111.70 1jg5 n ASN 42 Ca -0.19 -2.54 -0.09 0.00 -0.53 0.00 0.00 54.58 51.23 1jg5 n ASN 42 Cb 0.51 -0.61 -0.07 0.00 -2.08 0.00 0.00 39.78 37.53 1jg5 n ASN 42 CO 0.00 0.00 0.00 0.72 -0.93 0.00 0.00 177.26 177.05 1jg5 s PHE 43 N -1.70 0.21 0.19 -2.53 -0.12 -1.26 -5.17 117.98 107.60 1jg5 s PHE 43 Ca 0.25 -0.61 0.00 0.00 -0.05 0.00 0.00 56.93 56.53 1jg5 s PHE 43 Cb 0.20 -0.04 -0.04 0.00 -0.63 0.00 0.00 43.02 42.52 1jg5 s PHE 43 CO 0.06 -0.62 0.36 0.71 -0.05 0.00 0.00 175.22 175.69 1jg5 s TYR 44 N -3.89 3.48 0.01 3.49 2.02 -1.26 -4.52 117.35 116.67 1jg5 s TYR 44 Ca 0.09 0.28 -0.03 0.00 -0.37 0.00 0.00 57.07 57.04 1jg5 s TYR 44 Cb 0.04 -1.80 -0.01 0.00 -0.40 0.00 0.00 41.96 39.79 1jg5 s TYR 44 CO -0.07 0.41 0.05 -1.83 -1.57 0.00 0.00 175.55 172.54 1jg5 s GLU 45 N -3.32 0.34 -0.17 -0.62 -1.05 -0.86 -3.46 118.70 109.56 1jg5 s GLU 45 Ca 0.37 -0.42 -0.07 0.00 -0.15 0.00 0.00 54.97 54.71 1jg5 s GLU 45 Cb -0.11 0.13 -0.04 0.00 -0.44 0.00 0.00 34.13 33.67 1jg5 s GLU 45 CO 0.29 -0.07 0.05 0.71 0.95 0.00 0.00 175.26 177.19 1jg5 s TYR 46 N -1.19 3.23 0.28 4.83 1.51 -0.95 -2.29 117.35 122.78 1jg5 s TYR 46 Ca -0.13 0.06 0.03 0.00 -1.01 0.00 0.00 57.07 56.02 1jg5 s TYR 46 Cb -0.08 -2.04 -0.04 0.00 -0.11 0.00 0.00 41.96 39.70 1jg5 s TYR 46 CO 0.00 0.18 0.19 1.52 -1.11 0.00 0.00 175.55 176.33 1jg5 s TYR 47 N 0.21 1.50 0.08 2.71 -0.85 -0.45 -0.64 117.35 119.91 1jg5 s TYR 47 Ca 0.03 -1.48 -0.07 0.00 -0.52 0.00 0.00 57.07 55.04 1jg5 s TYR 47 Cb -0.12 -0.71 -0.01 0.00 0.38 0.00 0.00 41.96 41.50 1jg5 s TYR 47 CO 0.01 -0.68 0.14 0.14 -1.52 0.00 0.00 175.55 173.63 1jg5 s VAL 48 N -3.74 0.16 -1.18 -3.49 -7.23 -1.01 -0.89 120.40 103.02 1jg5 s VAL 48 Ca 0.39 -1.32 0.25 0.00 -1.81 0.00 0.00 61.98 59.48 1jg5 s VAL 48 Cb 0.05 -1.38 0.05 0.00 0.56 0.00 0.00 36.38 35.66 1jg5 s VAL 48 CO 0.19 -0.73 1.42 0.59 -0.31 0.00 0.00 175.10 176.26 1jg5 n ASN 49 N -0.02 0.66 -4.77 4.85 4.13 -1.26 -0.93 115.26 117.92 1jg5 n ASN 49 Ca -0.15 -0.45 -0.38 0.00 1.68 0.00 0.00 54.58 55.28 1jg5 n ASN 49 Cb 0.62 0.27 -0.00 0.00 -1.54 0.00 0.00 39.78 39.13 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 -2.88 6.11 0.89 6.41 1.11 -1.26 -3.61 116.67 123.44 1jg5 s ASP 50 Ca 0.14 2.50 -0.12 0.00 0.18 0.00 0.00 52.55 55.25 1jg5 s ASP 50 Cb 0.18 -2.62 0.13 0.00 1.07 0.00 0.00 42.92 41.67 1jg5 s ASP 50 CO 0.67 -0.97 1.09 -2.16 1.18 0.00 0.00 175.17 174.98 1jg5 s PRO 51 N -2.53 1.30 0.22 8.23 0.04 -1.26 -3.84 135.00 137.15 1jg5 s PRO 51 Ca 0.62 0.81 -0.13 0.00 0.04 0.00 0.00 61.00 62.34 1jg5 s PRO 51 Cb -0.34 -1.81 0.25 0.00 0.04 0.00 0.00 34.50 32.64 1jg5 s PRO 51 CO 0.42 -2.21 1.62 -1.35 0.04 0.00 0.00 177.00 175.51 1jg5 h PRO 52 N -1.53 -0.01 -0.63 0.56 0.11 -1.78 -2.71 132.00 126.02 1jg5 h PRO 52 Ca -0.49 0.00 0.13 0.00 0.11 0.00 0.00 66.00 65.75 1jg5 h PRO 52 Cb 1.28 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.28 1jg5 h PRO 52 CO 0.55 -0.01 -0.05 -0.09 -0.21 0.00 0.00 178.00 178.19 1jg5 h ARG 53 N -0.01 0.07 -0.56 1.05 2.43 -1.91 -0.51 114.38 114.94 1jg5 h ARG 53 Ca 0.32 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.47 1jg5 h ARG 53 Cb 0.50 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.00 1jg5 h ARG 53 CO -0.69 0.05 0.29 0.82 -1.51 0.00 0.00 179.97 178.92 1jg5 h ILE 54 N 0.07 1.20 -0.69 1.20 5.03 -1.84 -2.28 117.51 120.20 1jg5 h ILE 54 Ca 0.32 -0.53 -0.02 0.00 -0.12 0.00 0.00 64.86 64.50 1jg5 h ILE 54 Cb 0.52 0.51 -0.03 0.00 -3.03 0.00 0.00 36.82 34.79 1jg5 h ILE 54 CO -0.58 0.22 0.34 0.58 -0.68 0.00 0.00 178.15 178.04 1jg5 h VAL 55 N 0.76 1.23 -0.66 1.67 2.07 -1.24 -0.81 116.25 119.28 1jg5 h VAL 55 Ca 0.20 -0.62 0.05 0.00 0.82 0.00 0.00 66.70 67.14 1jg5 h VAL 55 Cb 0.09 0.36 -0.05 0.00 -1.52 0.00 0.00 31.29 30.17 1jg5 h VAL 55 CO -0.03 0.26 0.38 -0.07 0.02 0.00 0.00 177.57 178.14 1jg5 h LEU 56 N 0.96 0.59 -0.59 2.57 3.38 -0.84 -0.01 115.31 121.37 1jg5 h LEU 56 Ca 0.24 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.15 1jg5 h LEU 56 Cb 0.10 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1jg5 h LEU 56 CO -0.03 0.39 0.08 0.44 0.09 0.00 0.00 178.44 179.41 1jg5 h ASP 57 N 0.72 0.95 -0.21 -0.43 3.45 -1.05 -1.38 116.42 118.47 1jg5 h ASP 57 Ca 0.28 -0.27 -0.06 0.00 0.43 0.00 0.00 57.03 57.41 1jg5 h ASP 57 Cb 0.12 -0.25 -0.02 0.00 -0.56 0.00 0.00 39.33 38.62 1jg5 h ASP 57 CO -0.15 0.98 -0.06 0.11 -1.57 0.00 0.00 179.24 178.55 1jg5 h LYS 58 N 0.88 0.55 0.00 3.56 1.57 -0.64 -2.57 116.57 119.93 1jg5 h LYS 58 Ca 0.18 -0.14 -0.13 0.00 -1.87 0.00 0.00 60.65 58.68 1jg5 h LYS 58 Cb 0.45 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 1jg5 h LYS 58 CO 0.01 0.62 -0.64 -0.07 -0.57 0.00 0.00 179.45 178.81 1jg5 h LEU 59 N 0.52 0.00 -1.08 2.94 3.38 -0.78 -3.01 115.31 117.29 1jg5 h LEU 59 Ca 0.10 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 1jg5 h LEU 59 Cb 0.43 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1jg5 h LEU 59 CO 0.02 0.64 -0.09 -0.08 0.09 0.00 0.00 178.44 179.02 1jg5 h GLU 60 N 0.00 0.55 -0.51 1.13 4.81 -0.86 -1.28 114.58 118.42 1jg5 h GLU 60 Ca -0.01 -0.15 -0.02 0.00 -0.13 0.00 0.00 59.36 59.06 1jg5 h GLU 60 Cb 1.29 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.58 1jg5 h GLU 60 CO 0.08 0.64 0.25 0.00 -0.73 0.00 0.00 179.01 179.26 1jg5 n ARG 62 N -4.39 1.95 -0.35 0.00 3.00 -0.93 -4.91 116.66 111.03 1jg5 n ARG 62 Ca 0.04 -1.34 0.00 0.00 -0.01 0.00 0.00 57.85 56.54 1jg5 n ARG 62 Cb 0.12 -1.34 0.00 0.00 0.00 0.00 0.00 32.46 31.23 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 1.00 0.80 3.84 -0.13 0.00 -0.87 -5.09 105.19 104.74 1jg5 n GLY 63 Ca 0.12 -0.24 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.00 3.44 0.03 1.61 0.08 -0.53 -4.49 117.98 116.13 1jg5 s PHE 64 Ca 0.00 0.33 0.03 0.00 0.12 0.00 0.00 56.93 57.41 1jg5 s PHE 64 Cb 0.00 -1.82 -0.02 0.00 -0.57 0.00 0.00 43.02 40.61 1jg5 s PHE 64 CO 0.00 0.62 -0.09 -0.98 -0.10 0.00 0.00 175.22 174.67 1jg5 s ARG 65 N -1.56 0.60 0.09 0.44 1.70 -0.66 -3.74 118.95 115.81 1jg5 s ARG 65 Ca 0.22 -0.66 -0.31 0.00 -0.47 0.00 0.00 55.73 54.51 1jg5 s ARG 65 Cb -0.12 -0.48 -0.06 0.00 -0.57 0.00 0.00 34.95 33.72 1jg5 s ARG 65 CO 0.12 0.11 1.23 0.08 -1.08 0.00 0.00 175.30 175.76 1jg5 s VAL 66 N -1.02 3.85 -0.22 4.99 1.01 -1.26 -1.27 120.40 126.47 1jg5 s VAL 66 Ca -0.05 1.35 0.03 0.00 0.00 0.00 0.00 61.98 63.31 1jg5 s VAL 66 Cb -0.08 -3.86 -0.15 0.00 0.00 0.00 0.00 36.38 32.28 1jg5 s VAL 66 CO 0.01 0.12 -0.17 0.18 0.00 0.00 0.00 175.10 175.23 1jg5 n LEU 67 N 3.77 2.70 -3.58 3.92 4.77 0.02 -4.93 117.00 123.66 1jg5 n LEU 67 Ca 0.09 -0.11 -0.14 0.00 -0.03 0.00 0.00 56.01 55.81 1jg5 n LEU 67 Cb 0.45 -0.67 -0.06 0.00 -2.33 0.00 0.00 43.42 40.81 1jg5 n LEU 67 CO 0.56 0.84 0.28 -0.55 -1.33 0.00 0.00 177.39 177.19 1jg5 s SER 68 N -6.09 -0.45 0.02 -1.43 0.15 -1.14 -5.02 113.70 99.74 1jg5 s SER 68 Ca -0.28 0.25 0.03 0.00 0.70 0.00 0.00 55.95 56.65 1jg5 s SER 68 Cb 0.08 0.48 -0.02 0.00 -1.71 0.00 0.00 66.02 64.85 1jg5 s SER 68 CO 0.54 -0.68 -0.08 -0.32 1.20 0.00 0.00 173.24 173.90 1jg5 s MET 69 N -2.15 0.58 0.27 5.44 1.75 -1.26 -0.92 119.30 123.00 1jg5 s MET 69 Ca -0.07 -0.55 -0.19 0.00 -1.25 0.00 0.00 55.69 53.63 1jg5 s MET 69 Cb -0.01 -0.48 0.01 0.00 2.84 0.00 0.00 34.83 37.20 1jg5 s MET 69 CO 0.01 0.11 0.65 -0.08 -0.65 0.00 0.00 175.02 175.06 1jg5 s THR 70 N -0.81 0.00 0.02 10.11 -1.32 -0.30 -4.99 115.64 118.34 1jg5 s THR 70 Ca -0.03 -1.10 0.07 0.00 -1.21 0.00 0.00 61.69 59.41 1jg5 s THR 70 Cb -0.07 -2.04 -0.02 0.00 -1.51 0.00 0.00 72.50 68.86 1jg5 s THR 70 CO 0.00 -0.00 -0.20 -0.83 -2.21 0.00 0.00 174.62 171.39 1jg5 s GLY 71 N -2.94 1.02 -0.12 6.08 0.00 -1.26 -0.25 107.32 109.85 1jg5 s GLY 71 Ca 0.14 -0.94 -0.04 0.00 0.00 0.00 0.00 44.72 43.89 1jg5 s GLY 71 CO 0.07 -0.83 0.14 0.54 0.00 0.00 0.00 173.10 173.02 1jg5 s VAL 72 N -0.64 -0.21 0.00 1.40 0.11 -0.04 -4.99 120.40 116.03 1jg5 s VAL 72 Ca 0.07 0.18 0.00 0.00 -2.93 0.00 0.00 61.98 59.30 1jg5 s VAL 72 Cb -0.08 -0.40 0.00 0.00 -1.53 0.00 0.00 36.38 34.37 1jg5 s VAL 72 CO 0.01 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.39 1jg5 n GLY 73 N 5.31 2.66 1.11 6.54 0.00 -1.26 -1.50 105.19 118.05 1jg5 n GLY 73 Ca -0.05 -0.27 0.11 0.00 0.00 0.00 0.00 46.02 45.81 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 13.13 2.49 -3.93 1.61 1.13 -1.26 -4.97 117.38 125.58 1jg5 n GLN 74 Ca 0.00 -2.29 -0.36 0.00 -1.94 0.00 0.00 57.00 52.41 1jg5 n GLN 74 Cb 0.00 -1.48 -0.06 0.00 0.11 0.00 0.00 30.24 28.80 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 -1.29 5.37 -0.17 5.09 2.01 -0.56 -0.99 115.64 125.11 1jg5 s THR 75 Ca 0.38 0.09 -0.04 0.00 0.31 0.00 0.00 61.69 62.42 1jg5 s THR 75 Cb 0.22 -3.37 -0.03 0.00 0.01 0.00 0.00 72.50 69.33 1jg5 s THR 75 CO 0.29 0.56 -0.02 -0.76 -0.69 0.00 0.00 174.62 174.00 1jg5 s LEU 76 N -1.20 3.27 -0.03 4.42 1.43 0.11 -0.86 118.68 125.81 1jg5 s LEU 76 Ca 0.17 -0.14 0.07 0.00 -1.03 0.00 0.00 54.13 53.20 1jg5 s LEU 76 Cb -0.12 -1.80 -0.02 0.00 0.03 0.00 0.00 46.19 44.28 1jg5 s LEU 76 CO 0.07 0.14 -0.24 -0.69 0.23 0.00 0.00 176.35 175.86 1jg5 s VAL 77 N 0.52 2.24 -0.04 -1.59 1.01 0.66 -1.88 120.40 121.32 1jg5 s VAL 77 Ca -0.02 -1.03 0.06 0.00 0.00 0.00 0.00 61.98 60.99 1jg5 s VAL 77 Cb -0.14 -1.80 -0.01 0.00 0.00 0.00 0.00 36.38 34.43 1jg5 s VAL 77 CO 0.02 0.58 -0.23 0.26 0.00 0.00 0.00 175.10 175.73 1jg5 s TRP 78 N -0.53 2.21 -0.25 5.22 0.51 -0.08 -1.15 118.94 124.87 1jg5 s TRP 78 Ca 0.07 -0.58 -0.03 0.00 -2.12 0.00 0.00 56.10 53.45 1jg5 s TRP 78 Cb -0.11 -1.44 0.02 0.00 -0.81 0.00 0.00 33.47 31.12 1jg5 s TRP 78 CO 0.00 -0.15 -0.04 0.00 -0.51 0.00 0.00 176.95 176.26 1jg5 s LEU 80 N 1.38 3.02 0.12 0.00 1.02 -0.04 -0.80 118.68 123.38 1jg5 s LEU 80 Ca 0.02 -0.40 0.06 0.00 0.02 0.00 0.00 54.13 53.83 1jg5 s LEU 80 Cb -0.16 -1.81 -0.04 0.00 0.02 0.00 0.00 46.19 44.20 1jg5 s LEU 80 CO -0.03 0.18 -0.15 -2.28 0.02 0.00 0.00 176.35 174.08 1jg5 s HIS 81 N -1.22 1.46 -0.07 0.29 2.46 -0.40 -0.29 115.29 117.52 1jg5 s HIS 81 Ca 0.21 -0.52 -0.03 0.00 0.47 0.00 0.00 55.06 55.20 1jg5 s HIS 81 Cb -0.11 -0.77 0.04 0.00 -0.13 0.00 0.00 32.58 31.61 1jg5 s HIS 81 CO 0.14 0.16 0.14 0.21 -2.47 0.00 0.00 174.74 172.92 1jg5 s LYS 82 N -2.47 0.05 0.00 2.88 2.20 -0.59 -1.66 119.74 120.14 1jg5 s LYS 82 Ca 0.08 0.45 0.00 0.00 -0.36 0.00 0.00 55.97 56.14 1jg5 s LYS 82 Cb -0.06 -0.24 0.00 0.00 -1.51 0.00 0.00 37.83 36.01 1jg5 s LYS 82 CO 0.03 -0.24 0.23 0.39 -0.36 0.00 0.00 175.35 175.40