#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 2.78 -0.05 0.54 2.02 -1.26 -1.71 117.35 119.67 1jg5 s TYR 2 Ca 0.00 -0.30 -0.03 0.00 -0.37 0.00 0.00 57.07 56.37 1jg5 s TYR 2 Cb 0.00 -1.52 0.02 0.00 -0.40 0.00 0.00 41.96 40.06 1jg5 s TYR 2 CO 0.00 0.41 0.12 -1.17 -1.57 0.00 0.00 175.55 173.34 1jg5 s LEU 3 N -3.82 1.27 -0.13 -1.29 2.96 0.72 -4.97 118.68 113.42 1jg5 s LEU 3 Ca 0.36 0.24 0.02 0.00 -0.22 0.00 0.00 54.13 54.53 1jg5 s LEU 3 Cb -0.04 0.35 0.00 0.00 0.50 0.00 0.00 46.19 47.00 1jg5 s LEU 3 CO 0.23 -0.08 -0.21 -0.76 -1.32 0.00 0.00 176.35 174.21 1jg5 s LEU 4 N 0.48 2.20 0.11 -0.68 1.43 -1.26 -0.13 118.68 120.84 1jg5 s LEU 4 Ca -0.04 -0.56 0.05 0.00 -1.03 0.00 0.00 54.13 52.56 1jg5 s LEU 4 Cb -0.05 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.67 1jg5 s LEU 4 CO -0.02 0.10 -0.12 0.27 0.23 0.00 0.00 176.35 176.81 1jg5 s ILE 5 N 0.69 1.16 0.23 -0.59 -4.36 -0.87 -4.33 121.20 113.12 1jg5 s ILE 5 Ca -0.09 -1.66 -0.11 0.00 -0.26 0.00 0.00 60.65 58.52 1jg5 s ILE 5 Cb -0.16 -1.43 -0.01 0.00 1.25 0.00 0.00 42.46 42.11 1jg5 s ILE 5 CO 0.01 -0.46 0.41 -0.94 0.24 0.00 0.00 174.94 174.20 1jg5 s SER 6 N -2.41 -0.05 -0.04 4.36 1.04 -0.73 -0.95 113.70 114.92 1jg5 s SER 6 Ca 0.07 -0.96 -0.25 0.00 0.48 0.00 0.00 55.95 55.29 1jg5 s SER 6 Cb -0.04 0.54 0.05 0.00 0.10 0.00 0.00 66.02 66.67 1jg5 s SER 6 CO 0.02 -1.06 0.55 0.28 0.98 0.00 0.00 173.24 174.00 1jg5 s THR 7 N -4.02 0.02 0.22 2.02 -1.32 -0.62 -0.96 115.64 110.98 1jg5 s THR 7 Ca 0.23 -0.17 -0.15 0.00 -1.21 0.00 0.00 61.69 60.39 1jg5 s THR 7 Cb 0.01 -0.87 -0.08 0.00 -1.51 0.00 0.00 72.50 70.05 1jg5 s THR 7 CO 0.08 -0.09 0.65 -1.10 -2.21 0.00 0.00 174.62 171.94 1jg5 s GLN 8 N -1.26 4.04 0.45 7.08 -1.52 -1.26 -0.32 119.66 126.87 1jg5 s GLN 8 Ca -0.12 0.62 -0.25 0.00 -1.95 0.00 0.00 55.36 53.66 1jg5 s GLN 8 Cb -0.02 -2.75 -0.09 0.00 -0.22 0.00 0.00 33.01 29.93 1jg5 s GLN 8 CO 0.08 0.35 1.30 -0.89 -0.25 0.00 0.00 175.29 175.88 1jg5 n ILE 9 N 0.36 2.76 -2.73 1.08 -0.00 0.40 -4.17 119.36 117.06 1jg5 n ILE 9 Ca -0.01 -0.50 -0.33 0.00 -0.00 0.00 0.00 62.75 61.91 1jg5 n ILE 9 Cb 0.52 -1.61 -0.06 0.00 -0.00 0.00 0.00 39.64 38.49 1jg5 n ILE 9 CO 0.00 0.00 0.00 -0.13 -0.00 0.00 0.00 176.55 176.42 1jg5 s ARG 10 N -2.33 4.15 0.45 0.38 1.81 -1.26 -5.05 118.95 117.09 1jg5 s ARG 10 Ca 0.62 1.11 0.27 0.00 -1.72 0.00 0.00 55.73 56.01 1jg5 s ARG 10 Cb -0.48 -2.17 0.73 0.00 -0.45 0.00 0.00 34.95 32.58 1jg5 s ARG 10 CO 0.57 -0.10 1.75 0.00 -0.68 0.00 0.00 175.30 176.83 1jg5 h MET 11 N 1.71 0.00 0.00 3.54 -0.00 -1.95 -3.30 114.93 114.93 1jg5 h MET 11 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.21 1jg5 h MET 11 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.78 1jg5 h MET 11 CO 0.61 0.00 0.00 0.39 -0.00 0.00 0.00 176.91 177.91 1jg5 n GLU 12 N -3.01 0.10 -4.43 -0.10 4.71 -1.26 -4.09 120.64 112.56 1jg5 n GLU 12 Ca 0.03 0.38 -0.21 0.00 -0.01 0.00 0.00 57.16 57.35 1jg5 n GLU 12 Cb 0.44 -1.71 -0.10 0.00 -1.01 0.00 0.00 31.44 29.06 1jg5 n GLU 12 CO 0.00 0.00 0.00 0.14 0.09 0.00 0.00 177.13 177.36 1jg5 s VAL 13 N -3.19 1.33 0.00 2.62 -7.23 -1.24 -4.74 120.40 107.94 1jg5 s VAL 13 Ca 0.04 -2.04 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 1jg5 s VAL 13 Cb 0.08 -2.63 0.00 0.00 0.56 0.00 0.00 36.38 34.39 1jg5 s VAL 13 CO 0.29 -0.14 0.00 0.61 -0.31 0.00 0.00 175.10 175.56 1jg5 n GLY 14 N -0.63 1.04 3.84 2.32 0.00 -1.23 -4.51 105.19 106.02 1jg5 n GLY 14 Ca -0.04 -1.95 -0.30 0.00 0.00 0.00 0.00 46.02 43.73 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 -0.20 2.27 -0.10 1.61 0.04 -1.26 -4.95 135.00 132.41 1jg5 s PRO 15 Ca 0.00 0.52 0.04 0.00 0.04 0.00 0.00 61.00 61.60 1jg5 s PRO 15 Cb 0.00 -1.95 -0.00 0.00 0.04 0.00 0.00 34.50 32.59 1jg5 s PRO 15 CO 0.00 -1.47 -0.22 0.99 0.04 0.00 0.00 177.00 176.34 1jg5 s THR 16 N -3.26 2.21 0.00 1.26 2.01 0.44 -4.59 115.64 113.72 1jg5 s THR 16 Ca 0.60 -0.97 -0.25 0.00 0.31 0.00 0.00 61.69 61.38 1jg5 s THR 16 Cb -0.13 -1.85 -0.05 0.00 0.01 0.00 0.00 72.50 70.48 1jg5 s THR 16 CO 0.53 0.56 0.76 -0.04 -0.69 0.00 0.00 174.62 175.74 1jg5 s MET 17 N 0.26 4.48 0.00 4.92 1.00 -0.14 -1.64 119.30 128.18 1jg5 s MET 17 Ca -0.15 1.03 0.00 0.00 0.00 0.00 0.00 55.69 56.56 1jg5 s MET 17 Cb -0.17 -3.40 0.00 0.00 0.00 0.00 0.00 34.83 31.26 1jg5 s MET 17 CO 0.08 0.18 0.54 1.33 0.00 0.00 0.00 175.02 177.15 1jg5 n VAL 18 N 3.23 0.14 0.00 -6.03 0.24 -0.02 -1.77 118.33 114.13 1jg5 n VAL 18 Ca -0.01 -0.54 0.00 0.00 -2.04 0.00 0.00 64.34 61.75 1jg5 n VAL 18 Cb 0.51 0.98 0.00 0.00 -1.47 0.00 0.00 33.84 33.86 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 -0.07 0.98 1.91 7.63 0.00 -1.18 -4.79 105.19 109.66 1jg5 n GLY 19 Ca 0.00 -0.76 -0.11 0.00 0.00 0.00 0.00 46.02 45.15 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 0.67 0.27 1.61 5.75 -1.26 -0.94 116.55 122.65 1jg5 n ASP 20 Ca 0.00 -1.56 0.10 0.00 -0.01 0.00 0.00 54.79 53.32 1jg5 n ASP 20 Cb 0.00 -0.32 0.73 0.00 -1.03 0.00 0.00 41.12 40.51 1jg5 n ASP 20 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1jg5 h GLU 21 N 0.00 0.00 -0.65 0.11 5.08 -1.93 -2.81 114.58 114.38 1jg5 h GLU 21 Ca -0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1jg5 h GLU 21 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1jg5 h GLU 21 CO 0.17 0.01 0.00 0.72 -1.00 0.00 0.00 179.01 178.91 1jg5 n HIS 22 N -4.28 0.86 -1.52 4.33 8.25 -1.26 -5.00 115.22 116.59 1jg5 n HIS 22 Ca -0.03 -0.47 -0.36 0.00 -0.26 0.00 0.00 57.72 56.60 1jg5 n HIS 22 Cb 0.10 -0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.28 1jg5 n HIS 22 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1jg5 n SER 23 N 1.48 1.29 -4.63 0.41 7.64 -1.06 -4.83 113.62 113.92 1jg5 n SER 23 Ca 0.22 0.75 -0.49 0.00 1.01 0.00 0.00 58.87 60.36 1jg5 n SER 23 Cb 0.59 -1.48 -0.05 0.00 -1.01 0.00 0.00 64.21 62.26 1jg5 n SER 23 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1jg5 n ASP 24 N -1.87 3.10 0.25 6.43 4.64 -1.26 -4.85 116.55 122.98 1jg5 n ASP 24 Ca 0.15 0.80 0.10 0.00 -1.38 0.00 0.00 54.79 54.46 1jg5 n ASP 24 Cb 0.49 -1.35 0.65 0.00 -1.04 0.00 0.00 41.12 39.87 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 10.23 0.00 0.02 -0.67 0.13 -1.97 -2.31 132.00 137.43 1jg5 h PRO 25 Ca -0.44 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.49 1jg5 h PRO 25 Cb 1.28 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.40 1jg5 h PRO 25 CO 0.96 0.15 -0.93 0.93 -0.23 0.00 0.00 178.00 178.88 1jg5 h GLU 26 N 0.00 0.12 -0.08 0.86 5.08 -2.00 -2.74 114.58 115.82 1jg5 h GLU 26 Ca -0.00 -0.15 -0.11 0.00 -1.00 0.00 0.00 59.36 58.11 1jg5 h GLU 26 Cb 0.34 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1jg5 h GLU 26 CO 0.02 0.96 -0.37 1.25 -1.00 0.00 0.00 179.01 179.87 1jg5 h LEU 27 N 0.06 0.46 -1.21 1.33 5.85 -1.88 -1.79 115.31 118.12 1jg5 h LEU 27 Ca -0.04 -0.65 0.05 0.00 0.84 0.00 0.00 57.88 58.09 1jg5 h LEU 27 Cb 1.60 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 42.44 1jg5 h LEU 27 CO 0.13 1.03 0.55 0.24 -0.34 0.00 0.00 178.44 180.06 1jg5 h MET 28 N -0.09 0.97 -0.17 1.25 2.86 -1.48 -1.62 114.93 116.65 1jg5 h MET 28 Ca -0.02 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.53 1jg5 h MET 28 Cb 1.01 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 32.45 1jg5 h MET 28 CO 0.08 0.64 -0.02 0.37 1.06 0.00 0.00 176.91 179.03 1jg5 h GLN 29 N 1.00 0.31 -0.30 1.72 4.15 -1.43 0.55 115.11 121.10 1jg5 h GLN 29 Ca 0.35 -0.11 0.09 0.00 0.77 0.00 0.00 58.65 59.75 1jg5 h GLN 29 Cb 0.12 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.78 1jg5 h GLN 29 CO -0.12 0.56 0.34 1.96 -1.93 0.00 0.00 178.83 179.64 1jg5 h GLN 30 N 0.03 0.00 -0.01 1.69 4.20 -0.40 0.15 115.11 120.77 1jg5 h GLN 30 Ca 0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 1jg5 h GLN 30 Cb 0.44 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.22 1jg5 h GLN 30 CO 0.01 0.00 -0.28 1.28 -0.67 0.00 0.00 178.83 179.17 1jg5 n LEU 31 N -3.73 1.61 -0.96 1.46 4.77 -0.85 -4.93 117.00 114.37 1jg5 n LEU 31 Ca 0.05 -0.53 -0.07 0.00 -0.03 0.00 0.00 56.01 55.42 1jg5 n LEU 31 Cb 0.49 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1jg5 n LEU 31 CO 0.27 0.29 -0.05 0.61 -1.33 0.00 0.00 177.39 177.18 1jg5 n GLY 32 N 1.35 0.17 3.87 -0.72 0.00 0.52 -4.98 105.19 105.40 1jg5 n GLY 32 Ca 0.12 -0.54 -0.32 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.52 3.50 0.11 4.61 0.00 0.16 -4.79 121.76 122.83 1jg5 s ALA 33 Ca 0.04 -0.21 0.11 0.00 0.00 0.00 0.00 51.96 51.90 1jg5 s ALA 33 Cb -0.02 -2.52 -0.04 0.00 0.00 0.00 0.00 23.12 20.54 1jg5 s ALA 33 CO 0.05 0.42 -0.26 -1.12 0.00 0.00 0.00 175.76 174.85 1jg5 s SER 34 N -2.44 3.32 -0.08 0.00 0.01 -0.76 -4.62 113.70 109.13 1jg5 s SER 34 Ca 0.49 -0.71 -0.16 0.00 1.31 0.00 0.00 55.95 56.87 1jg5 s SER 34 Cb -0.11 -0.25 -0.05 0.00 0.21 0.00 0.00 66.02 65.83 1jg5 s SER 34 CO 0.21 0.20 0.43 -0.75 0.41 0.00 0.00 173.24 173.74 1jg5 s LYS 35 N -1.91 4.19 0.21 12.44 2.20 -1.26 -2.22 119.74 133.40 1jg5 s LYS 35 Ca 0.14 0.39 -0.16 0.00 -0.36 0.00 0.00 55.97 55.98 1jg5 s LYS 35 Cb -0.10 -3.36 0.01 0.00 -1.51 0.00 0.00 37.83 32.87 1jg5 s LYS 35 CO 0.05 0.35 0.50 -0.98 -0.36 0.00 0.00 175.35 174.92 1jg5 s ARG 36 N 0.01 1.43 -0.18 4.03 1.70 -0.65 -4.97 118.95 120.32 1jg5 s ARG 36 Ca 0.24 -1.01 -0.01 0.00 -0.47 0.00 0.00 55.73 54.48 1jg5 s ARG 36 Cb -0.15 0.50 0.05 0.00 -0.57 0.00 0.00 34.95 34.77 1jg5 s ARG 36 CO 0.11 -0.60 -0.02 0.50 -1.08 0.00 0.00 175.30 174.21 1jg5 s ARG 37 N -3.92 1.14 0.08 3.89 3.52 -1.26 -1.24 118.95 121.15 1jg5 s ARG 37 Ca 0.13 -0.52 -0.30 0.00 -0.13 0.00 0.00 55.73 54.92 1jg5 s ARG 37 Cb -0.01 -2.06 -0.05 0.00 -1.56 0.00 0.00 34.95 31.27 1jg5 s ARG 37 CO 0.01 -0.52 1.03 0.08 -0.81 0.00 0.00 175.30 175.09 1jg5 s VAL 38 N 1.70 4.41 0.27 7.11 1.01 -1.26 -4.98 120.40 128.65 1jg5 s VAL 38 Ca -0.01 1.89 -0.30 0.00 0.00 0.00 0.00 61.98 63.56 1jg5 s VAL 38 Cb -0.16 -4.21 -0.11 0.00 0.00 0.00 0.00 36.38 31.90 1jg5 s VAL 38 CO -0.07 0.23 1.56 -0.76 0.00 0.00 0.00 175.10 176.06 1jg5 s LEU 39 N 0.38 4.36 0.00 3.92 2.01 -1.26 -1.88 118.68 126.20 1jg5 s LEU 39 Ca 0.51 2.87 0.00 0.00 0.01 0.00 0.00 54.13 57.51 1jg5 s LEU 39 Cb -0.25 -3.63 0.00 0.00 0.01 0.00 0.00 46.19 42.32 1jg5 s LEU 39 CO 0.30 -0.86 0.00 0.61 1.01 0.00 0.00 176.35 177.41 1jg5 n GLY 40 N 2.30 2.83 3.71 -3.19 0.00 -1.26 -5.06 105.19 104.53 1jg5 n GLY 40 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.49 5.18 -0.40 1.61 0.02 -0.79 -5.04 114.94 114.03 1jg5 s ASN 41 Ca 0.00 -0.11 0.06 0.00 -1.02 0.00 0.00 52.86 51.78 1jg5 s ASN 41 Cb 0.00 -1.30 0.43 0.00 0.02 0.00 0.00 41.25 40.41 1jg5 s ASN 41 CO 0.00 0.18 1.13 -0.46 0.02 0.00 0.00 177.10 177.97 1jg5 n ASN 42 N 0.62 4.75 -3.57 -1.22 0.23 -1.26 -4.77 115.26 110.03 1jg5 n ASN 42 Ca -0.10 -3.72 -0.16 0.00 -0.53 0.00 0.00 54.58 50.07 1jg5 n ASN 42 Cb 0.52 -0.43 -0.06 0.00 -2.08 0.00 0.00 39.78 37.73 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 -3.55 -0.50 0.27 -2.53 -0.12 -1.26 -5.17 117.98 105.12 1jg5 s PHE 43 Ca 0.49 0.73 -0.06 0.00 -0.05 0.00 0.00 56.93 58.03 1jg5 s PHE 43 Cb 0.40 0.34 -0.06 0.00 -0.63 0.00 0.00 43.02 43.08 1jg5 s PHE 43 CO -0.13 -0.60 0.55 0.71 -0.05 0.00 0.00 175.22 175.70 1jg5 s TYR 44 N -1.78 3.46 0.07 3.49 2.02 -1.26 -4.56 117.35 118.80 1jg5 s TYR 44 Ca -0.09 0.70 -0.05 0.00 -0.37 0.00 0.00 57.07 57.26 1jg5 s TYR 44 Cb -0.01 -2.15 -0.02 0.00 -0.40 0.00 0.00 41.96 39.39 1jg5 s TYR 44 CO 0.04 0.20 0.10 -1.83 -1.57 0.00 0.00 175.55 172.48 1jg5 s GLU 45 N -3.35 0.75 -0.07 -0.62 -1.05 -0.37 -3.22 118.70 110.76 1jg5 s GLU 45 Ca 0.45 -1.07 -0.00 0.00 -0.15 0.00 0.00 54.97 54.20 1jg5 s GLU 45 Cb -0.11 0.29 -0.03 0.00 -0.44 0.00 0.00 34.13 33.84 1jg5 s GLU 45 CO 0.28 -0.20 -0.03 0.71 0.95 0.00 0.00 175.26 176.96 1jg5 s TYR 46 N -3.89 3.04 0.18 4.83 1.51 -0.11 -1.64 117.35 121.26 1jg5 s TYR 46 Ca 0.06 0.10 -0.08 0.00 -1.01 0.00 0.00 57.07 56.14 1jg5 s TYR 46 Cb 0.06 -1.74 -0.01 0.00 -0.11 0.00 0.00 41.96 40.16 1jg5 s TYR 46 CO -0.11 0.40 0.28 1.52 -1.11 0.00 0.00 175.55 176.54 1jg5 s TYR 47 N -0.86 0.48 0.04 2.71 -0.85 -0.94 -0.84 117.35 117.09 1jg5 s TYR 47 Ca 0.13 -0.83 -0.04 0.00 -0.52 0.00 0.00 57.07 55.81 1jg5 s TYR 47 Cb -0.11 -0.09 -0.02 0.00 0.38 0.00 0.00 41.96 42.12 1jg5 s TYR 47 CO 0.02 -0.74 0.07 0.14 -1.52 0.00 0.00 175.55 173.53 1jg5 s VAL 48 N -3.99 0.15 -1.48 -3.49 -7.23 -0.65 -1.82 120.40 101.88 1jg5 s VAL 48 Ca 0.20 -1.20 0.27 0.00 -1.81 0.00 0.00 61.98 59.44 1jg5 s VAL 48 Cb 0.03 -0.97 0.30 0.00 0.56 0.00 0.00 36.38 36.30 1jg5 s VAL 48 CO 0.02 -0.66 1.71 0.59 -0.31 0.00 0.00 175.10 176.45 1jg5 n ASN 49 N 0.68 0.56 -4.77 4.85 5.03 -1.26 -0.42 115.26 119.93 1jg5 n ASN 49 Ca -0.18 -0.48 -0.37 0.00 0.87 0.00 0.00 54.58 54.42 1jg5 n ASN 49 Cb 0.59 -0.01 -0.02 0.00 -1.02 0.00 0.00 39.78 39.32 1jg5 n ASN 49 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 1jg5 s ASP 50 N -2.64 6.44 0.76 6.41 -0.00 -1.26 -3.50 116.67 122.89 1jg5 s ASP 50 Ca 0.23 2.28 -0.11 0.00 -0.00 0.00 0.00 52.55 54.94 1jg5 s ASP 50 Cb 0.19 -2.60 0.05 0.00 -0.00 0.00 0.00 42.92 40.56 1jg5 s ASP 50 CO 0.53 -0.73 1.11 -2.16 -0.00 0.00 0.00 175.17 173.92 1jg5 s PRO 51 N -2.47 2.22 0.25 8.23 0.04 -1.26 -3.66 135.00 138.35 1jg5 s PRO 51 Ca 0.59 1.28 -0.06 0.00 0.04 0.00 0.00 61.00 62.85 1jg5 s PRO 51 Cb -0.28 -1.89 0.48 0.00 0.04 0.00 0.00 34.50 32.85 1jg5 s PRO 51 CO 0.35 -1.68 1.62 -1.35 0.04 0.00 0.00 177.00 175.98 1jg5 h PRO 52 N -0.95 0.09 -0.68 0.56 0.11 -1.79 -2.18 132.00 127.15 1jg5 h PRO 52 Ca -0.44 -0.01 0.11 0.00 0.11 0.00 0.00 66.00 65.77 1jg5 h PRO 52 Cb 1.24 -0.02 -0.08 0.00 0.11 0.00 0.00 31.00 32.25 1jg5 h PRO 52 CO 0.51 0.06 0.27 -0.09 -0.21 0.00 0.00 178.00 178.53 1jg5 h ARG 53 N 0.09 0.43 -0.71 1.05 2.43 -1.91 0.47 114.38 116.23 1jg5 h ARG 53 Ca 0.44 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.57 1jg5 h ARG 53 Cb 0.79 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.21 1jg5 h ARG 53 CO -0.71 0.28 0.41 0.82 -1.51 0.00 0.00 179.97 179.26 1jg5 h ILE 54 N 0.44 1.21 -0.38 1.20 1.08 -1.75 -2.26 117.51 117.05 1jg5 h ILE 54 Ca 0.35 -0.50 -0.12 0.00 -0.39 0.00 0.00 64.86 64.20 1jg5 h ILE 54 Cb 0.47 0.26 -0.01 0.00 -3.07 0.00 0.00 36.82 34.47 1jg5 h ILE 54 CO -0.34 0.23 -0.25 0.58 -0.69 0.00 0.00 178.15 177.67 1jg5 h VAL 55 N 0.97 1.27 -0.62 1.67 2.07 -1.06 -2.19 116.25 118.36 1jg5 h VAL 55 Ca 0.25 -1.37 -0.01 0.00 0.82 0.00 0.00 66.70 66.39 1jg5 h VAL 55 Cb 0.01 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 1jg5 h VAL 55 CO -0.04 0.46 0.34 -0.07 0.02 0.00 0.00 177.57 178.28 1jg5 h LEU 56 N 0.66 0.77 -0.31 2.57 3.38 -0.64 -1.15 115.31 120.60 1jg5 h LEU 56 Ca 0.09 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1jg5 h LEU 56 Cb 0.77 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1jg5 h LEU 56 CO 0.06 0.64 0.17 0.44 0.09 0.00 0.00 178.44 179.84 1jg5 h ASP 57 N 0.84 0.38 -0.84 -0.43 3.45 -1.29 -1.99 116.42 116.54 1jg5 h ASP 57 Ca 0.22 -0.08 0.03 0.00 0.43 0.00 0.00 57.03 57.63 1jg5 h ASP 57 Cb 0.03 -0.10 -0.05 0.00 -0.56 0.00 0.00 39.33 38.66 1jg5 h ASP 57 CO -0.04 0.35 0.55 0.11 -1.57 0.00 0.00 179.24 178.64 1jg5 h LYS 58 N 0.38 1.04 0.00 3.56 1.57 -1.02 -2.27 116.57 119.83 1jg5 h LYS 58 Ca 0.11 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.77 1jg5 h LYS 58 Cb 0.05 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 1jg5 h LYS 58 CO -0.02 0.69 -0.27 -0.07 -0.57 0.00 0.00 179.45 179.21 1jg5 h LEU 59 N 1.07 0.00 -0.85 2.94 3.38 -0.87 -2.07 115.31 118.91 1jg5 h LEU 59 Ca 0.33 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.25 1jg5 h LEU 59 Cb -0.02 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1jg5 h LEU 59 CO -0.11 0.27 0.22 -0.08 0.09 0.00 0.00 178.44 178.83 1jg5 h GLU 60 N 0.00 1.07 0.00 1.13 4.81 -0.77 -0.44 114.58 120.37 1jg5 h GLU 60 Ca -0.00 -0.22 -0.01 0.00 -0.13 0.00 0.00 59.36 59.00 1jg5 h GLU 60 Cb 0.51 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.73 1jg5 h GLU 60 CO 0.03 0.91 -0.03 0.00 -0.73 0.00 0.00 179.01 179.20 1jg5 n ARG 62 N -3.21 3.07 -0.45 0.00 3.00 -0.56 -4.96 116.66 113.55 1jg5 n ARG 62 Ca -0.01 -2.70 0.00 0.00 -0.01 0.00 0.00 57.85 55.12 1jg5 n ARG 62 Cb 0.20 -1.66 0.00 0.00 0.00 0.00 0.00 32.46 31.00 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 1.38 0.76 3.86 -0.13 0.00 -0.67 -5.07 105.19 105.31 1jg5 n GLY 63 Ca 0.24 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.21 3.67 0.02 1.61 0.08 -0.28 -4.51 117.98 116.35 1jg5 s PHE 64 Ca 0.00 0.80 0.05 0.00 0.12 0.00 0.00 56.93 57.90 1jg5 s PHE 64 Cb 0.00 -2.15 -0.02 0.00 -0.57 0.00 0.00 43.02 40.29 1jg5 s PHE 64 CO 0.00 0.66 -0.16 -0.98 -0.10 0.00 0.00 175.22 174.64 1jg5 s ARG 65 N -1.19 1.17 -0.13 0.44 1.70 -0.57 -3.70 118.95 116.67 1jg5 s ARG 65 Ca 0.22 -0.74 -0.29 0.00 -0.47 0.00 0.00 55.73 54.45 1jg5 s ARG 65 Cb -0.15 -1.19 -0.03 0.00 -0.57 0.00 0.00 34.95 33.01 1jg5 s ARG 65 CO 0.11 0.31 1.43 0.08 -1.08 0.00 0.00 175.30 176.14 1jg5 s VAL 66 N -0.67 3.99 -0.17 4.99 1.01 -1.26 -1.95 120.40 126.34 1jg5 s VAL 66 Ca 0.05 1.19 -0.05 0.00 0.00 0.00 0.00 61.98 63.17 1jg5 s VAL 66 Cb -0.07 -3.79 -0.23 0.00 0.00 0.00 0.00 36.38 32.29 1jg5 s VAL 66 CO 0.01 -0.12 0.16 0.18 0.00 0.00 0.00 175.10 175.32 1jg5 n LEU 67 N 6.91 2.70 -3.65 3.92 4.77 0.19 -4.99 117.00 126.86 1jg5 n LEU 67 Ca 0.15 0.11 -0.10 0.00 -0.03 0.00 0.00 56.01 56.14 1jg5 n LEU 67 Cb 0.44 -1.04 -0.05 0.00 -2.33 0.00 0.00 43.42 40.44 1jg5 n LEU 67 CO 0.59 0.85 0.14 -0.55 -1.33 0.00 0.00 177.39 177.10 1jg5 s SER 68 N -6.88 -0.21 -0.10 -1.43 0.15 -1.18 -5.01 113.70 99.03 1jg5 s SER 68 Ca -0.27 -0.33 -0.07 0.00 0.70 0.00 0.00 55.95 55.98 1jg5 s SER 68 Cb 0.07 0.46 0.03 0.00 -1.71 0.00 0.00 66.02 64.88 1jg5 s SER 68 CO 0.70 -0.84 0.24 -0.32 1.20 0.00 0.00 173.24 174.23 1jg5 s MET 69 N -3.78 0.26 0.22 5.44 1.75 -1.26 -1.10 119.30 120.83 1jg5 s MET 69 Ca 0.03 0.41 -0.09 0.00 -1.25 0.00 0.00 55.69 54.79 1jg5 s MET 69 Cb 0.02 0.04 -0.02 0.00 2.84 0.00 0.00 34.83 37.72 1jg5 s MET 69 CO -0.12 -0.08 0.35 -0.08 -0.65 0.00 0.00 175.02 174.44 1jg5 s THR 70 N 0.54 0.01 0.11 10.11 -1.32 -0.25 -4.99 115.64 119.85 1jg5 s THR 70 Ca -0.03 -1.58 0.10 0.00 -1.21 0.00 0.00 61.69 58.96 1jg5 s THR 70 Cb -0.05 -2.24 -0.04 0.00 -1.51 0.00 0.00 72.50 68.66 1jg5 s THR 70 CO -0.03 -0.04 -0.23 -0.83 -2.21 0.00 0.00 174.62 171.28 1jg5 s GLY 71 N -3.05 1.61 -0.21 6.08 0.00 -1.26 -0.55 107.32 109.94 1jg5 s GLY 71 Ca 0.27 -1.40 -0.05 0.00 0.00 0.00 0.00 44.72 43.54 1jg5 s GLY 71 CO 0.09 -1.37 0.39 0.54 0.00 0.00 0.00 173.10 172.75 1jg5 s VAL 72 N -1.06 -0.61 0.00 1.40 0.11 -0.35 -4.99 120.40 114.90 1jg5 s VAL 72 Ca 0.15 0.09 0.00 0.00 -2.93 0.00 0.00 61.98 59.29 1jg5 s VAL 72 Cb -0.10 -0.70 0.00 0.00 -1.53 0.00 0.00 36.38 34.05 1jg5 s VAL 72 CO 0.07 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.46 1jg5 n GLY 73 N 5.38 3.14 0.07 6.54 0.00 -1.26 -1.38 105.19 117.67 1jg5 n GLY 73 Ca -0.06 -0.20 0.07 0.00 0.00 0.00 0.00 46.02 45.83 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 12.89 1.77 -3.76 1.61 6.02 -1.26 -5.00 117.38 129.65 1jg5 n GLN 74 Ca 0.00 -2.30 -0.36 0.00 -0.01 0.00 0.00 57.00 54.34 1jg5 n GLN 74 Cb 0.00 -1.37 -0.07 0.00 1.02 0.00 0.00 30.24 29.81 1jg5 n GLN 74 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1jg5 s THR 75 N -2.37 5.43 -0.18 5.09 2.01 -0.48 -0.46 115.64 124.68 1jg5 s THR 75 Ca 0.24 0.22 -0.09 0.00 0.31 0.00 0.00 61.69 62.36 1jg5 s THR 75 Cb 0.21 -3.46 -0.05 0.00 0.01 0.00 0.00 72.50 69.21 1jg5 s THR 75 CO 0.02 0.49 0.12 -0.76 -0.69 0.00 0.00 174.62 173.80 1jg5 s LEU 76 N -0.03 4.17 -0.00 4.42 1.43 0.57 -1.21 118.68 128.04 1jg5 s LEU 76 Ca 0.10 0.25 0.06 0.00 -1.03 0.00 0.00 54.13 53.52 1jg5 s LEU 76 Cb -0.11 -2.06 -0.02 0.00 0.03 0.00 0.00 46.19 44.02 1jg5 s LEU 76 CO 0.00 0.22 -0.20 -0.69 0.23 0.00 0.00 176.35 175.92 1jg5 s VAL 77 N 0.10 1.56 -0.04 -1.59 1.01 0.29 -1.58 120.40 120.14 1jg5 s VAL 77 Ca 0.09 -0.91 0.05 0.00 0.00 0.00 0.00 61.98 61.21 1jg5 s VAL 77 Cb -0.11 -1.31 -0.01 0.00 0.00 0.00 0.00 36.38 34.95 1jg5 s VAL 77 CO -0.01 0.39 -0.20 0.26 0.00 0.00 0.00 175.10 175.54 1jg5 s TRP 78 N -0.53 1.98 -0.27 5.22 0.51 -0.12 -1.09 118.94 124.64 1jg5 s TRP 78 Ca 0.07 -0.55 -0.06 0.00 -2.12 0.00 0.00 56.10 53.45 1jg5 s TRP 78 Cb -0.08 -1.31 0.00 0.00 -0.81 0.00 0.00 33.47 31.27 1jg5 s TRP 78 CO -0.00 -0.16 0.04 0.00 -0.51 0.00 0.00 176.95 176.31 1jg5 s LEU 80 N 1.48 3.40 0.07 0.00 1.02 0.82 -0.64 118.68 124.84 1jg5 s LEU 80 Ca 0.03 -0.38 0.01 0.00 0.02 0.00 0.00 54.13 53.81 1jg5 s LEU 80 Cb -0.16 -2.03 -0.04 0.00 0.02 0.00 0.00 46.19 43.98 1jg5 s LEU 80 CO 0.01 0.07 -0.05 -2.28 0.02 0.00 0.00 176.35 174.11 1jg5 s HIS 81 N -1.84 0.71 -0.20 0.29 2.46 -0.82 -0.20 115.29 115.69 1jg5 s HIS 81 Ca 0.29 -0.93 -0.14 0.00 0.47 0.00 0.00 55.06 54.75 1jg5 s HIS 81 Cb -0.09 -0.45 0.06 0.00 -0.13 0.00 0.00 32.58 31.97 1jg5 s HIS 81 CO 0.20 -0.23 0.50 0.21 -2.47 0.00 0.00 174.74 172.95 1jg5 s LYS 82 N -3.60 0.53 0.00 2.88 2.20 -0.69 -1.51 119.74 119.54 1jg5 s LYS 82 Ca 0.07 0.84 0.00 0.00 -0.36 0.00 0.00 55.97 56.52 1jg5 s LYS 82 Cb 0.05 0.13 0.00 0.00 -1.51 0.00 0.00 37.83 36.49 1jg5 s LYS 82 CO -0.06 -0.12 0.45 0.39 -0.36 0.00 0.00 175.35 175.65