#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g91 s ASP 2 N 0.00 6.77 0.12 6.12 -1.08 -1.26 -5.06 116.67 122.28 1g91 s ASP 2 Ca 0.00 1.24 -0.11 0.00 -0.52 0.00 0.00 52.55 53.16 1g91 s ASP 2 Cb 0.00 -2.36 -0.06 0.00 -1.46 0.00 0.00 42.92 39.04 1g91 s ASP 2 CO 0.00 -0.17 0.46 -0.60 0.52 0.00 0.00 175.17 175.38 1g91 s ARG 3 N -2.89 3.84 0.00 4.34 6.06 -1.26 -4.98 118.95 124.06 1g91 s ARG 3 Ca 0.52 0.29 0.00 0.00 -2.50 0.00 0.00 55.73 54.04 1g91 s ARG 3 Cb -0.11 -2.94 0.00 0.00 0.06 0.00 0.00 34.95 31.96 1g91 s ARG 3 CO 0.18 0.51 0.00 1.19 -2.50 0.00 0.00 175.30 174.68 1g91 n PHE 4 N 0.75 0.00 -3.90 5.12 3.72 -1.26 -5.04 117.46 116.86 1g91 n PHE 4 Ca -0.06 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.06 1g91 n PHE 4 Cb 0.52 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.94 1g91 n PHE 4 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 1g91 s HIS 5 N 0.00 3.45 -0.04 1.38 2.46 -1.26 -5.06 115.29 116.23 1g91 s HIS 5 Ca 0.00 -3.29 -0.07 0.00 0.47 0.00 0.00 55.06 52.17 1g91 s HIS 5 Cb 0.00 -2.68 0.01 0.00 -0.13 0.00 0.00 32.58 29.78 1g91 s HIS 5 CO 0.00 -0.58 0.16 0.00 -2.47 0.00 0.00 174.74 171.85 1g91 s ALA 6 N -1.23 -0.40 -0.26 1.58 0.00 -1.26 -5.05 121.76 115.14 1g91 s ALA 6 Ca 0.24 0.22 0.12 0.00 0.00 0.00 0.00 51.96 52.54 1g91 s ALA 6 Cb -0.08 -0.11 0.34 0.00 0.00 0.00 0.00 23.12 23.27 1g91 s ALA 6 CO -0.14 -0.14 1.40 2.41 0.00 0.00 0.00 175.76 179.29 1g91 n THR 7 N 2.28 0.10 -0.46 0.00 -1.04 -1.26 -5.14 114.28 108.77 1g91 n THR 7 Ca -0.17 -0.97 -0.28 0.00 -2.04 0.00 0.00 64.05 60.59 1g91 n THR 7 Cb 0.57 0.93 0.27 0.00 -1.82 0.00 0.00 70.33 70.28 1g91 n THR 7 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1g91 s SER 8 N -1.35 0.32 0.43 8.00 0.15 -1.26 -4.93 113.70 115.06 1g91 s SER 8 Ca 0.09 1.38 -0.24 0.00 0.70 0.00 0.00 55.95 57.88 1g91 s SER 8 Cb 0.35 -2.12 -0.08 0.00 -1.71 0.00 0.00 66.02 62.46 1g91 s SER 8 CO -0.10 -4.59 1.13 0.00 1.20 0.00 0.00 173.24 170.89 1g91 s ALA 9 N -2.38 3.05 -0.54 5.45 0.00 -1.26 -4.98 121.76 121.11 1g91 s ALA 9 Ca 0.69 0.87 0.07 0.00 0.00 0.00 0.00 51.96 53.58 1g91 s ALA 9 Cb -0.23 -3.35 0.33 0.00 0.00 0.00 0.00 23.12 19.87 1g91 s ALA 9 CO 0.64 -0.49 0.87 -0.40 0.00 0.00 0.00 175.76 176.38 1g91 n ASP 10 N -0.21 3.54 -4.77 0.00 5.75 -1.26 -5.08 116.55 114.52 1g91 n ASP 10 Ca 0.06 -3.49 -0.39 0.00 -0.01 0.00 0.00 54.79 50.96 1g91 n ASP 10 Cb 0.48 -0.59 -0.02 0.00 -1.03 0.00 0.00 41.12 39.96 1g91 n ASP 10 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1g91 n ILE 13 N 5.95 0.04 -3.68 0.00 0.13 -1.26 -4.97 119.36 115.57 1g91 n ILE 13 Ca 0.02 -0.31 -0.12 0.00 -1.10 0.00 0.00 62.75 61.24 1g91 n ILE 13 Cb 0.48 0.33 -0.06 0.00 -0.84 0.00 0.00 39.64 39.55 1g91 n ILE 13 CO 0.00 0.00 0.00 -0.44 2.80 0.00 0.00 176.55 178.91 1g91 s SER 14 N -3.99 -0.24 -0.05 9.51 0.01 -1.26 -5.16 113.70 112.51 1g91 s SER 14 Ca -0.01 -0.06 0.01 0.00 1.31 0.00 0.00 55.95 57.19 1g91 s SER 14 Cb 0.15 0.41 -0.03 0.00 0.21 0.00 0.00 66.02 66.75 1g91 s SER 14 CO 0.88 -0.66 -0.04 -0.31 0.41 0.00 0.00 173.24 173.52 1g91 s TYR 15 N -2.56 3.01 -0.13 2.43 2.02 -1.26 -4.47 117.35 116.39 1g91 s TYR 15 Ca -0.05 0.07 -0.29 0.00 -0.37 0.00 0.00 57.07 56.42 1g91 s TYR 15 Cb -0.01 -1.71 -0.03 0.00 -0.40 0.00 0.00 41.96 39.82 1g91 s TYR 15 CO -0.03 0.39 1.37 -0.08 -1.57 0.00 0.00 175.55 175.63 1g91 s THR 16 N -0.90 4.08 -1.33 -0.71 -1.32 -1.01 -4.90 115.64 109.54 1g91 s THR 16 Ca 0.14 1.31 -0.15 0.00 -1.21 0.00 0.00 61.69 61.79 1g91 s THR 16 Cb -0.11 -3.85 -0.01 0.00 -1.51 0.00 0.00 72.50 67.02 1g91 s THR 16 CO 0.04 -0.11 2.23 -0.81 -2.21 0.00 0.00 174.62 173.76 1g91 n PRO 17 N 6.67 2.65 -3.64 7.08 -0.04 -1.26 -4.82 135.00 141.63 1g91 n PRO 17 Ca 0.15 -2.41 -0.09 0.00 -0.04 0.00 0.00 63.50 61.11 1g91 n PRO 17 Cb 0.44 -3.17 -0.07 0.00 -0.04 0.00 0.00 33.50 30.66 1g91 n PRO 17 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1g91 s ARG 18 N 3.46 0.71 -0.71 0.54 0.52 -1.26 -5.10 118.95 117.11 1g91 s ARG 18 Ca 0.50 1.13 -0.18 0.00 -0.52 0.00 0.00 55.73 56.66 1g91 s ARG 18 Cb 0.14 0.19 0.13 0.00 0.52 0.00 0.00 34.95 35.94 1g91 s ARG 18 CO -0.05 -0.14 0.81 -1.12 0.02 0.00 0.00 175.30 174.82 1g91 s SER 19 N 1.30 6.39 -0.08 0.23 0.01 -1.26 -5.03 113.70 115.26 1g91 s SER 19 Ca -0.07 -1.80 -0.05 0.00 1.31 0.00 0.00 55.95 55.33 1g91 s SER 19 Cb -0.05 -2.31 -0.04 0.00 0.21 0.00 0.00 66.02 63.83 1g91 s SER 19 CO -0.14 -1.00 0.15 -0.63 0.41 0.00 0.00 173.24 172.03 1g91 s ILE 20 N 2.21 5.45 0.50 1.44 1.09 -1.26 -5.09 121.20 125.55 1g91 s ILE 20 Ca 0.17 0.07 -0.18 0.00 -1.10 0.00 0.00 60.65 59.61 1g91 s ILE 20 Cb -0.17 -3.43 -0.08 0.00 -1.06 0.00 0.00 42.46 37.71 1g91 s ILE 20 CO 0.00 0.51 1.00 -2.16 -0.10 0.00 0.00 174.94 174.19 1g91 s PRO 21 N -1.35 3.89 0.49 2.79 0.04 -1.26 -4.94 135.00 134.66 1g91 s PRO 21 Ca 0.19 1.11 0.19 0.00 0.04 0.00 0.00 61.00 62.54 1g91 s PRO 21 Cb -0.12 -2.12 1.23 0.00 0.04 0.00 0.00 34.50 33.53 1g91 s PRO 21 CO 0.09 -0.33 2.03 0.00 0.04 0.00 0.00 177.00 178.83 1g91 h SER 23 N 0.15 0.00 -0.57 0.00 0.87 -2.04 1.73 113.55 113.69 1g91 h SER 23 Ca 0.20 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.68 1g91 h SER 23 Cb 0.61 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.52 1g91 h SER 23 CO -0.03 0.00 0.09 0.18 -0.53 0.00 0.00 176.83 176.55 1g91 n LEU 24 N -3.88 5.50 -4.32 2.23 4.77 -0.15 -4.94 117.00 116.22 1g91 n LEU 24 Ca 0.21 -3.09 -0.20 0.00 -0.03 0.00 0.00 56.01 52.90 1g91 n LEU 24 Cb 1.15 -0.68 -0.11 0.00 -2.33 0.00 0.00 43.42 41.45 1g91 n LEU 24 CO 0.34 0.73 -0.46 -0.76 -1.33 0.00 0.00 177.39 175.90 1g91 s LEU 25 N -2.89 2.47 -0.04 2.23 1.43 0.59 -4.24 118.68 118.23 1g91 s LEU 25 Ca 0.52 -0.91 0.01 0.00 -1.03 0.00 0.00 54.13 52.73 1g91 s LEU 25 Cb 0.41 -0.73 -0.03 0.00 0.03 0.00 0.00 46.19 45.87 1g91 s LEU 25 CO 0.13 -0.10 -0.03 1.21 0.23 0.00 0.00 176.35 177.80 1g91 n GLU 26 N 0.11 0.96 -1.96 1.70 2.13 0.10 -4.66 120.64 119.03 1g91 n GLU 26 Ca -0.12 0.02 -0.02 0.00 0.66 0.00 0.00 57.16 57.70 1g91 n GLU 26 Cb 0.58 -1.09 0.01 0.00 0.27 0.00 0.00 31.44 31.20 1g91 n GLU 26 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1g91 n SER 27 N -2.51 -0.66 -3.50 4.31 3.41 -0.94 -5.01 113.62 108.72 1g91 n SER 27 Ca -0.08 -1.43 -0.10 0.00 -0.26 0.00 0.00 58.87 57.00 1g91 n SER 27 Cb 0.60 1.09 -0.03 0.00 -0.26 0.00 0.00 64.21 65.61 1g91 n SER 27 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1g91 s TYR 28 N -6.24 -0.41 0.29 7.33 1.13 -1.26 0.03 117.35 118.21 1g91 s TYR 28 Ca 0.06 0.39 -0.06 0.00 -1.41 0.00 0.00 57.07 56.04 1g91 s TYR 28 Cb -0.01 0.51 -0.01 0.00 -1.10 0.00 0.00 41.96 41.35 1g91 s TYR 28 CO 0.03 -0.57 0.42 -0.59 -2.51 0.00 0.00 175.55 172.33 1g91 s PHE 29 N -2.70 0.83 0.07 -3.49 -0.71 -0.06 -4.96 117.98 106.95 1g91 s PHE 29 Ca 0.02 -1.10 -0.00 0.00 -1.04 0.00 0.00 56.93 54.80 1g91 s PHE 29 Cb -0.01 -0.07 -0.04 0.00 -1.21 0.00 0.00 43.02 41.69 1g91 s PHE 29 CO -0.06 -1.00 0.23 -1.21 -1.34 0.00 0.00 175.22 171.83 1g91 s GLU 30 N -3.58 3.46 0.93 1.99 2.02 -1.26 -1.24 118.70 121.01 1g91 s GLU 30 Ca 0.29 -0.41 -0.12 0.00 0.02 0.00 0.00 54.97 54.75 1g91 s GLU 30 Cb 0.01 -3.02 0.15 0.00 0.10 0.00 0.00 34.13 31.36 1g91 s GLU 30 CO 0.15 0.60 1.12 0.95 0.02 0.00 0.00 175.26 178.09 1g91 s THR 31 N -1.53 2.14 -0.19 3.63 -4.23 -0.86 -4.92 115.64 109.69 1g91 s THR 31 Ca 0.36 0.05 -0.29 0.00 -1.18 0.00 0.00 61.69 60.62 1g91 s THR 31 Cb -0.13 -2.71 -0.02 0.00 1.34 0.00 0.00 72.50 70.98 1g91 s THR 31 CO 0.28 -0.06 1.44 0.20 -0.54 0.00 0.00 174.62 175.93 1g91 s ASN 32 N -3.82 6.68 0.32 3.99 0.02 -1.26 -4.80 114.94 116.07 1g91 s ASN 32 Ca 0.64 1.66 0.21 0.00 -1.02 0.00 0.00 52.86 54.35 1g91 s ASN 32 Cb -0.16 -2.54 1.14 0.00 0.02 0.00 0.00 41.25 39.72 1g91 s ASN 32 CO 0.55 -0.99 1.64 -0.24 0.02 0.00 0.00 177.10 178.08 1g91 n SER 33 N 7.42 0.55 -0.24 -1.22 2.88 -1.26 -1.95 113.62 119.78 1g91 n SER 33 Ca 0.16 0.75 0.16 0.00 -1.33 0.00 0.00 58.87 58.62 1g91 n SER 33 Cb 0.45 -0.82 0.46 0.00 -0.75 0.00 0.00 64.21 63.55 1g91 n SER 33 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1g91 h GLU 34 N 0.00 0.49 0.00 -1.46 5.08 -1.97 -3.41 114.58 113.31 1g91 h GLU 34 Ca 0.00 -0.03 -0.23 0.00 -1.00 0.00 0.00 59.36 58.10 1g91 h GLU 34 Cb 0.01 -0.11 0.12 0.00 0.50 0.00 0.00 28.75 29.28 1g91 h GLU 34 CO 0.00 0.32 -0.02 0.00 -1.00 0.00 0.00 179.01 178.32 1g91 h SER 36 N -2.50 -0.30 -3.64 0.00 0.02 -1.89 -3.45 113.55 101.79 1g91 h SER 36 Ca -0.24 0.01 -0.68 0.00 -0.84 0.00 0.00 61.79 60.04 1g91 h SER 36 Cb 0.77 0.08 -0.19 0.00 0.14 0.00 0.00 62.40 63.20 1g91 h SER 36 CO 0.15 0.06 -0.69 -0.54 -1.14 0.00 0.00 176.83 174.67 1g91 s LYS 37 N -2.72 2.78 0.11 3.45 1.02 -1.26 -5.09 119.74 118.03 1g91 s LYS 37 Ca -0.05 -0.54 -0.02 0.00 0.02 0.00 0.00 55.97 55.38 1g91 s LYS 37 Cb 0.01 -2.61 0.03 0.00 -0.52 0.00 0.00 37.83 34.74 1g91 s LYS 37 CO 0.16 0.66 0.15 -0.35 -0.92 0.00 0.00 175.35 175.04 1g91 n PRO 38 N 2.24 -0.28 0.00 -1.68 -0.04 -1.26 -4.78 135.00 129.20 1g91 n PRO 38 Ca -0.18 -0.23 0.00 0.00 -0.04 0.00 0.00 63.50 63.05 1g91 n PRO 38 Cb 0.53 -0.16 0.00 0.00 -0.04 0.00 0.00 33.50 33.83 1g91 n PRO 38 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1g91 n GLY 39 N 3.73 0.36 3.66 0.55 0.00 -1.26 -4.92 105.19 107.31 1g91 n GLY 39 Ca 0.02 -0.88 -0.31 0.00 0.00 0.00 0.00 46.02 44.85 1g91 n GLY 39 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1g91 s VAL 40 N -2.00 3.94 -0.14 1.61 1.01 -0.98 -2.03 120.40 121.80 1g91 s VAL 40 Ca 0.00 -0.90 -0.01 0.00 0.00 0.00 0.00 61.98 61.07 1g91 s VAL 40 Cb 0.00 -2.83 0.03 0.00 0.00 0.00 0.00 36.38 33.59 1g91 s VAL 40 CO 0.00 0.21 -0.06 -0.63 0.00 0.00 0.00 175.10 174.62 1g91 s ILE 41 N -1.21 1.06 -0.21 2.22 1.01 -0.37 0.72 121.20 124.42 1g91 s ILE 41 Ca 0.23 -0.49 -0.10 0.00 0.00 0.00 0.00 60.65 60.30 1g91 s ILE 41 Cb -0.12 -1.18 -0.05 0.00 0.01 0.00 0.00 42.46 41.13 1g91 s ILE 41 CO 0.15 0.22 0.13 -0.36 0.00 0.00 0.00 174.94 175.08 1g91 s PHE 42 N 1.67 3.35 -0.19 3.97 0.40 -0.76 -0.89 117.98 125.54 1g91 s PHE 42 Ca 0.02 0.24 -0.09 0.00 -0.60 0.00 0.00 56.93 56.51 1g91 s PHE 42 Cb -0.14 -2.18 -0.05 0.00 0.51 0.00 0.00 43.02 41.16 1g91 s PHE 42 CO -0.08 0.19 0.13 -1.17 0.70 0.00 0.00 175.22 174.99 1g91 s LEU 43 N 0.61 4.22 0.53 -0.37 0.20 0.10 -2.31 118.68 121.65 1g91 s LEU 43 Ca 0.07 0.26 -0.01 0.00 0.69 0.00 0.00 54.13 55.15 1g91 s LEU 43 Cb -0.12 -2.08 0.02 0.00 -0.43 0.00 0.00 46.19 43.58 1g91 s LEU 43 CO 0.00 0.22 0.77 0.42 -0.29 0.00 0.00 176.35 177.47 1g91 s THR 44 N 0.14 3.27 -2.00 3.68 -4.23 0.18 0.03 115.64 116.70 1g91 s THR 44 Ca 0.09 -0.49 0.16 0.00 -1.18 0.00 0.00 61.69 60.27 1g91 s THR 44 Cb -0.11 -3.24 0.45 0.00 1.34 0.00 0.00 72.50 70.94 1g91 s THR 44 CO -0.01 -0.18 1.61 1.17 -0.54 0.00 0.00 174.62 176.67 1g91 n LYS 45 N -2.32 1.01 -1.03 3.99 4.81 -1.26 -3.29 118.16 120.08 1g91 n LYS 45 Ca 0.05 -0.02 -0.12 0.00 -0.87 0.00 0.00 58.31 57.36 1g91 n LYS 45 Cb 0.59 -1.25 0.23 0.00 0.02 0.00 0.00 35.03 34.62 1g91 n LYS 45 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1g91 n LYS 46 N -0.73 2.75 -3.54 1.64 4.76 -1.26 -4.89 118.16 116.89 1g91 n LYS 46 Ca 0.12 -3.07 -0.23 0.00 -2.87 0.00 0.00 58.31 52.27 1g91 n LYS 46 Cb 0.06 -2.11 0.08 0.00 -1.84 0.00 0.00 35.03 31.22 1g91 n LYS 46 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1g91 n GLY 47 N -0.75 -0.46 3.13 0.72 0.00 -1.21 -5.00 105.19 101.63 1g91 n GLY 47 Ca 0.46 0.21 -0.11 0.00 0.00 0.00 0.00 46.02 46.58 1g91 n GLY 47 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1g91 s ARG 48 N -6.24 0.73 0.04 1.61 1.81 -1.25 -5.00 118.95 110.66 1g91 s ARG 48 Ca 0.55 -1.19 -0.19 0.00 -1.72 0.00 0.00 55.73 53.18 1g91 s ARG 48 Cb -0.24 -0.16 0.04 0.00 -0.45 0.00 0.00 34.95 34.13 1g91 s ARG 48 CO 0.69 -0.02 0.43 -0.98 -0.68 0.00 0.00 175.30 174.75 1g91 s ARG 49 N -3.34 0.94 0.04 3.54 1.70 -1.26 0.49 118.95 121.06 1g91 s ARG 49 Ca 0.06 -0.33 -0.13 0.00 -0.47 0.00 0.00 55.73 54.86 1g91 s ARG 49 Cb 0.02 0.42 0.02 0.00 -0.57 0.00 0.00 34.95 34.84 1g91 s ARG 49 CO -0.04 -0.33 0.29 -0.59 -1.08 0.00 0.00 175.30 173.55 1g91 s PHE 50 N -2.44 -0.08 0.35 5.89 -0.12 -0.98 -4.98 117.98 115.62 1g91 s PHE 50 Ca -0.05 -0.06 -0.25 0.00 -0.05 0.00 0.00 56.93 56.52 1g91 s PHE 50 Cb -0.01 0.08 -0.10 0.00 -0.63 0.00 0.00 43.02 42.36 1g91 s PHE 50 CO -0.02 -0.49 0.95 0.00 -0.05 0.00 0.00 175.22 175.61 1g91 s ALA 52 N -1.76 1.63 0.00 0.00 0.00 0.22 -2.42 121.76 119.44 1g91 s ALA 52 Ca 0.54 -1.79 -0.24 0.00 0.00 0.00 0.00 51.96 50.46 1g91 s ALA 52 Cb -0.16 0.90 -0.05 0.00 0.00 0.00 0.00 23.12 23.81 1g91 s ALA 52 CO 0.21 -0.41 0.74 1.21 0.00 0.00 0.00 175.76 177.51 1g91 s ASN 53 N -3.28 7.13 0.49 0.00 2.47 -1.26 -2.33 114.94 118.16 1g91 s ASN 53 Ca 0.34 1.35 0.28 0.00 0.42 0.00 0.00 52.86 55.25 1g91 s ASN 53 Cb 0.07 -2.44 0.83 0.00 -1.45 0.00 0.00 41.25 38.25 1g91 s ASN 53 CO 0.11 -0.03 1.79 1.55 -3.72 0.00 0.00 177.10 176.80 1g91 h PRO 54 N 6.06 0.00 -0.14 0.43 0.13 -1.93 -2.76 132.00 133.78 1g91 h PRO 54 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1g91 h PRO 54 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1g91 h PRO 54 CO 0.72 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.92 1g91 n SER 55 N -3.09 1.97 -4.65 1.44 7.64 -1.26 -4.78 113.62 110.89 1g91 n SER 55 Ca 0.02 -1.71 -0.43 0.00 1.01 0.00 0.00 58.87 57.76 1g91 n SER 55 Cb 0.42 -0.08 -0.02 0.00 -1.01 0.00 0.00 64.21 63.52 1g91 n SER 55 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1g91 s ASP 56 N -1.72 6.71 0.35 6.43 -1.08 -1.04 -4.87 116.67 121.44 1g91 s ASP 56 Ca 0.34 1.69 0.10 0.00 -0.52 0.00 0.00 52.55 54.16 1g91 s ASP 56 Cb 0.19 -2.54 0.85 0.00 -1.46 0.00 0.00 42.92 39.97 1g91 s ASP 56 CO 0.29 -0.97 1.83 0.11 0.52 0.00 0.00 175.17 176.95 1g91 h LYS 57 N 9.25 0.64 -0.11 4.34 1.57 -1.90 0.44 116.57 130.79 1g91 h LYS 57 Ca -0.31 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 1g91 h LYS 57 Cb 1.13 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.29 1g91 h LYS 57 CO 0.99 0.42 0.08 1.96 -0.57 0.00 0.00 179.45 182.32 1g91 h GLN 58 N 0.66 0.15 -0.18 3.15 7.50 -1.95 -1.54 115.11 122.89 1g91 h GLN 58 Ca 0.51 -0.01 -0.22 0.00 0.50 0.00 0.00 58.65 59.44 1g91 h GLN 58 Cb 0.92 -0.03 0.01 0.00 0.05 0.00 0.00 27.48 28.42 1g91 h GLN 58 CO -0.27 0.10 -0.73 0.28 -1.50 0.00 0.00 178.83 176.71 1g91 h VAL 59 N 0.15 1.28 -0.26 -0.54 2.07 -0.42 -2.22 116.25 116.30 1g91 h VAL 59 Ca 0.04 -1.93 -0.05 0.00 0.82 0.00 0.00 66.70 65.59 1g91 h VAL 59 Cb -0.02 1.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 1g91 h VAL 59 CO -0.01 0.61 -0.04 1.56 0.02 0.00 0.00 177.57 179.72 1g91 h GLN 60 N 0.57 0.41 0.00 1.57 4.20 -0.90 0.83 115.11 121.79 1g91 h GLN 60 Ca -0.04 -0.09 -0.16 0.00 0.06 0.00 0.00 58.65 58.43 1g91 h GLN 60 Cb 1.36 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 29.06 1g91 h GLN 60 CO 0.15 0.47 -0.75 0.28 -0.67 0.00 0.00 178.83 178.31 1g91 h VAL 61 N 0.39 1.54 0.14 -0.54 2.07 -1.25 -3.15 116.25 115.45 1g91 h VAL 61 Ca 0.08 -2.59 -0.27 0.00 0.82 0.00 0.00 66.70 64.75 1g91 h VAL 61 Cb 0.33 2.40 0.03 0.00 -1.52 0.00 0.00 31.29 32.52 1g91 h VAL 61 CO 0.01 0.74 -1.14 0.00 0.02 0.00 0.00 177.57 177.20 1g91 h MET 63 N 0.08 0.04 0.00 0.00 3.00 -0.89 0.42 114.93 117.58 1g91 h MET 63 Ca -0.18 -0.00 -0.00 0.00 0.00 0.00 0.00 59.70 59.51 1g91 h MET 63 Cb 1.85 -0.01 -0.00 0.00 0.00 0.00 0.00 31.60 33.44 1g91 h MET 63 CO 0.22 0.03 -0.00 -0.09 0.00 0.00 0.00 176.91 177.06 1g91 h ARG 64 N 0.04 0.00 0.08 -0.10 2.43 -1.54 -3.30 114.38 111.99 1g91 h ARG 64 Ca 0.18 0.00 -0.30 0.00 -0.81 0.00 0.00 59.98 59.06 1g91 h ARG 64 Cb 0.68 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.21 1g91 h ARG 64 CO -0.01 0.00 -1.60 1.98 -1.51 0.00 0.00 179.97 178.84 1g91 h MET 65 N 0.00 0.18 -2.91 0.20 4.05 -0.26 -3.37 114.93 112.82 1g91 h MET 65 Ca -0.00 -0.30 -0.35 0.00 -0.28 0.00 0.00 59.70 58.76 1g91 h MET 65 Cb 0.94 0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.84 1g91 h MET 65 CO 0.00 1.15 1.86 1.28 0.23 0.00 0.00 176.91 181.43 1g91 n LEU 66 N -3.91 5.34 -4.73 3.39 7.99 0.26 -4.91 117.00 120.44 1g91 n LEU 66 Ca -0.30 -3.04 -0.30 0.00 -0.01 0.00 0.00 56.01 52.36 1g91 n LEU 66 Cb 0.89 -1.17 0.12 0.00 -0.11 0.00 0.00 43.42 43.16 1g91 n LEU 66 CO 0.35 1.11 0.68 -0.75 -1.51 0.00 0.00 177.39 177.27 1g91 s LYS 67 N 2.45 1.60 -0.05 3.23 2.20 -1.26 -4.97 119.74 122.95 1g91 s LYS 67 Ca 0.49 0.99 0.10 0.00 -0.36 0.00 0.00 55.97 57.20 1g91 s LYS 67 Cb 0.17 -1.84 -0.23 0.00 -1.51 0.00 0.00 37.83 34.42 1g91 s LYS 67 CO -0.03 -2.05 0.64 -0.07 -0.36 0.00 0.00 175.35 173.49 1g91 h LEU 68 N -1.42 0.06 -7.43 5.43 3.38 -1.94 -3.41 115.31 109.98 1g91 h LEU 68 Ca -0.47 -0.12 -0.40 0.00 0.09 0.00 0.00 57.88 56.98 1g91 h LEU 68 Cb 1.26 -0.02 0.02 0.00 0.09 0.00 0.00 40.66 42.02 1g91 h LEU 68 CO 0.53 1.11 1.24 -0.67 0.09 0.00 0.00 178.44 180.74 1g91 n ASP 69 N -3.11 2.24 -4.90 -0.43 -0.08 -1.26 -4.90 116.55 104.12 1g91 n ASP 69 Ca -0.18 -2.62 -0.28 0.00 -1.51 0.00 0.00 54.79 50.19 1g91 n ASP 69 Cb 1.05 -1.37 -0.02 0.00 2.34 0.00 0.00 41.12 43.13 1g91 n ASP 69 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1g91 s THR 70 N 10.03 4.89 -0.28 5.18 -4.23 -1.26 -5.04 115.64 124.93 1g91 s THR 70 Ca 0.68 0.29 -0.17 0.00 -1.18 0.00 0.00 61.69 61.31 1g91 s THR 70 Cb 0.05 -3.80 -0.03 0.00 1.34 0.00 0.00 72.50 70.06 1g91 s THR 70 CO 0.18 -0.64 0.46 -0.13 -0.54 0.00 0.00 174.62 173.95 1g91 s ARG 71 N -4.24 3.97 -0.41 3.99 0.52 -1.26 -4.96 118.95 116.57 1g91 s ARG 71 Ca 0.48 0.13 0.11 0.00 -0.52 0.00 0.00 55.73 55.93 1g91 s ARG 71 Cb -0.10 -3.68 0.39 0.00 0.52 0.00 0.00 34.95 32.07 1g91 s ARG 71 CO 0.38 -0.38 0.88 0.44 0.02 0.00 0.00 175.30 176.64 1g91 n ILE 72 N 5.19 1.10 -0.78 1.52 -0.00 -1.26 -5.10 119.36 120.03 1g91 n ILE 72 Ca -0.06 -4.41 -0.29 0.00 -0.00 0.00 0.00 62.75 57.99 1g91 n ILE 72 Cb 0.50 -0.35 0.24 0.00 -0.00 0.00 0.00 39.64 40.03 1g91 n ILE 72 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 176.55 174.96 1g91 s LYS 73 N -2.96 -1.31 0.00 6.28 -2.85 -1.26 -5.05 119.74 112.58 1g91 s LYS 73 Ca 0.39 0.32 0.00 0.00 -1.00 0.00 0.00 55.97 55.68 1g91 s LYS 73 Cb 0.37 -1.55 0.00 0.00 -2.06 0.00 0.00 37.83 34.59 1g91 s LYS 73 CO -0.07 -3.85 0.00 2.41 0.10 0.00 0.00 175.35 173.93 1g91 n THR 74 N -4.93 0.00 -1.60 3.79 -1.04 -1.26 -5.13 114.28 104.11 1g91 n THR 74 Ca 0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 1g91 n THR 74 Cb 0.58 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.09 1g91 n THR 74 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1g91 n ARG 75 N 0.00 -3.76 0.00 -2.82 1.74 -1.26 -5.06 116.66 105.50 1g91 n ARG 75 Ca 0.00 2.83 0.00 0.00 -0.77 0.00 0.00 57.85 59.91 1g91 n ARG 75 Cb 0.00 -2.94 0.00 0.00 -1.02 0.00 0.00 32.46 28.50 1g91 n ARG 75 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1g91 n LYS 76 N 1.28 0.00 0.00 5.56 2.85 -1.26 -5.32 118.16 121.27 1g91 n LYS 76 Ca 0.00 0.00 0.10 0.00 -1.05 0.00 0.00 58.31 57.36 1g91 n LYS 76 Cb 0.00 0.00 0.58 0.00 -0.65 0.00 0.00 35.03 34.96 1g91 n LYS 76 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44