#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g91 n ASP 2 N 0.00 -6.35 -0.03 6.12 8.00 -1.26 -4.90 116.55 118.13 1g91 n ASP 2 Ca 0.00 -0.50 -0.13 0.00 0.71 0.00 0.00 54.79 54.87 1g91 n ASP 2 Cb 0.00 -3.51 -0.09 0.00 -0.02 0.00 0.00 41.12 37.50 1g91 n ASP 2 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 1g91 h ARG 3 N 0.15 0.16 -7.42 -1.24 9.65 -2.12 -3.44 114.38 110.12 1g91 h ARG 3 Ca -0.31 -0.10 -0.44 0.00 -1.10 0.00 0.00 59.98 58.03 1g91 h ARG 3 Cb 1.20 0.01 0.16 0.00 -1.39 0.00 0.00 29.97 29.95 1g91 h ARG 3 CO 0.33 0.66 0.21 -0.06 2.80 0.00 0.00 179.97 183.90 1g91 s PHE 4 N -4.08 1.72 0.00 2.20 0.40 -1.26 -5.04 117.98 111.92 1g91 s PHE 4 Ca -0.15 0.79 0.00 0.00 -0.60 0.00 0.00 56.93 56.96 1g91 s PHE 4 Cb 0.03 -3.38 0.00 0.00 0.51 0.00 0.00 43.02 40.17 1g91 s PHE 4 CO 0.71 -3.07 0.00 1.58 0.70 0.00 0.00 175.22 175.15 1g91 n HIS 5 N -4.25 0.00 -4.17 0.36 -0.00 -1.26 -5.08 115.22 100.81 1g91 n HIS 5 Ca 0.08 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 58.15 1g91 n HIS 5 Cb 0.58 0.00 -0.10 0.00 -0.12 0.00 0.00 29.99 30.35 1g91 n HIS 5 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1g91 s ALA 6 N -2.99 1.00 -0.28 1.57 0.00 -1.26 -5.15 121.76 114.65 1g91 s ALA 6 Ca 0.00 -1.36 -0.14 0.00 0.00 0.00 0.00 51.96 50.46 1g91 s ALA 6 Cb 0.00 0.16 0.10 0.00 0.00 0.00 0.00 23.12 23.38 1g91 s ALA 6 CO 0.00 -0.23 0.67 -0.08 0.00 0.00 0.00 175.76 176.12 1g91 s THR 7 N -3.62 -0.32 0.00 0.00 -1.32 -1.26 -5.10 115.64 104.02 1g91 s THR 7 Ca 0.12 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.60 1g91 s THR 7 Cb 0.05 -0.99 0.00 0.00 -1.51 0.00 0.00 72.50 70.05 1g91 s THR 7 CO -0.04 0.00 0.00 -1.20 -2.21 0.00 0.00 174.62 171.17 1g91 n SER 8 N 4.68 0.00 -3.23 8.08 7.64 -1.26 -4.98 113.62 124.56 1g91 n SER 8 Ca -0.17 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.55 1g91 n SER 8 Cb 0.56 0.00 0.15 0.00 -1.01 0.00 0.00 64.21 63.91 1g91 n SER 8 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1g91 n ALA 9 N -1.35 -2.66 -1.00 -0.43 0.00 -1.26 -5.03 120.51 108.78 1g91 n ALA 9 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.67 1g91 n ALA 9 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.38 1g91 n ALA 9 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1g91 n ASP 10 N -3.23 0.00 -4.90 0.00 2.03 -1.26 -5.05 116.55 104.14 1g91 n ASP 10 Ca 0.07 0.00 -0.25 0.00 0.52 0.00 0.00 54.79 55.13 1g91 n ASP 10 Cb 0.30 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.69 1g91 n ASP 10 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1g91 n ILE 13 N 3.78 0.00 -3.70 0.00 3.06 -1.26 -4.86 119.36 116.38 1g91 n ILE 13 Ca 0.11 -0.09 -0.11 0.00 -2.50 0.00 0.00 62.75 60.17 1g91 n ILE 13 Cb 0.43 0.64 -0.11 0.00 0.54 0.00 0.00 39.64 41.14 1g91 n ILE 13 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 1g91 s SER 14 N -2.75 -0.41 -0.23 9.51 0.15 -1.26 -5.14 113.70 113.56 1g91 s SER 14 Ca 0.16 0.80 -0.08 0.00 0.70 0.00 0.00 55.95 57.54 1g91 s SER 14 Cb 0.18 0.72 -0.03 0.00 -1.71 0.00 0.00 66.02 65.17 1g91 s SER 14 CO 0.66 -0.19 0.08 -0.31 1.20 0.00 0.00 173.24 174.67 1g91 s TYR 15 N 1.47 3.13 -0.72 3.44 1.51 -1.26 -3.99 117.35 120.93 1g91 s TYR 15 Ca -0.09 -0.26 -0.34 0.00 -1.01 0.00 0.00 57.07 55.38 1g91 s TYR 15 Cb -0.09 -2.21 -0.18 0.00 -0.11 0.00 0.00 41.96 39.38 1g91 s TYR 15 CO -0.12 -0.22 2.46 -2.37 -1.11 0.00 0.00 175.55 174.19 1g91 n THR 16 N 4.59 0.02 -1.30 -0.71 5.66 -0.77 -4.74 114.28 117.03 1g91 n THR 16 Ca -0.16 -0.16 -0.37 0.00 -3.05 0.00 0.00 64.05 60.31 1g91 n THR 16 Cb 0.52 -1.01 -0.02 0.00 -1.55 0.00 0.00 70.33 68.26 1g91 n THR 16 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 1g91 n PRO 17 N 8.31 3.20 -3.60 1.09 -0.04 -1.26 -4.83 135.00 137.87 1g91 n PRO 17 Ca 0.56 -2.15 -0.12 0.00 -0.04 0.00 0.00 63.50 61.74 1g91 n PRO 17 Cb 0.12 -2.85 -0.05 0.00 -0.04 0.00 0.00 33.50 30.68 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 2.69 1.06 -0.94 0.54 0.52 -1.26 -5.09 118.95 116.47 1g91 s ARG 18 Ca 0.60 -0.48 -0.22 0.00 -0.52 0.00 0.00 55.73 55.11 1g91 s ARG 18 Cb 0.16 0.47 0.07 0.00 0.52 0.00 0.00 34.95 36.18 1g91 s ARG 18 CO -0.05 -0.40 1.30 0.45 0.02 0.00 0.00 175.30 176.61 1g91 s SER 19 N -2.41 6.48 0.02 0.23 0.15 -1.26 -4.98 113.70 111.91 1g91 s SER 19 Ca -0.01 -1.48 -0.30 0.00 0.70 0.00 0.00 55.95 54.86 1g91 s SER 19 Cb 0.00 -2.51 -0.04 0.00 -1.71 0.00 0.00 66.02 61.76 1g91 s SER 19 CO -0.07 -1.41 1.08 -0.63 1.20 0.00 0.00 173.24 173.40 1g91 s ILE 20 N 4.33 4.50 0.38 6.45 1.09 -1.26 -5.01 121.20 131.68 1g91 s ILE 20 Ca 0.39 1.79 -0.24 0.00 -1.10 0.00 0.00 60.65 61.50 1g91 s ILE 20 Cb -0.04 -4.15 -0.10 0.00 -1.06 0.00 0.00 42.46 37.12 1g91 s ILE 20 CO -0.06 0.13 0.98 -2.16 -0.10 0.00 0.00 174.94 173.73 1g91 s PRO 21 N 1.13 4.36 0.27 2.79 0.04 -1.26 -4.94 135.00 137.38 1g91 s PRO 21 Ca 0.55 1.33 0.24 0.00 0.04 0.00 0.00 61.00 63.15 1g91 s PRO 21 Cb -0.24 -2.55 0.99 0.00 0.04 0.00 0.00 34.50 32.74 1g91 s PRO 21 CO 0.28 0.06 1.72 0.00 0.04 0.00 0.00 177.00 179.10 1g91 h SER 23 N 0.00 0.00 -0.61 0.00 0.02 -2.03 -3.11 113.55 107.83 1g91 h SER 23 Ca 0.00 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.65 1g91 h SER 23 Cb 0.37 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 62.73 1g91 h SER 23 CO 0.00 0.00 0.21 -0.11 -1.14 0.00 0.00 176.83 175.79 1g91 n LEU 24 N -2.94 5.21 -4.12 5.07 7.94 -0.85 -4.94 117.00 122.36 1g91 n LEU 24 Ca 0.03 -3.64 -0.25 0.00 -1.11 0.00 0.00 56.01 51.04 1g91 n LEU 24 Cb 0.45 -0.71 -0.16 0.00 0.53 0.00 0.00 43.42 43.53 1g91 n LEU 24 CO 0.31 1.13 -0.49 -0.76 -1.11 0.00 0.00 177.39 176.47 1g91 s LEU 25 N -3.23 1.93 -0.17 -1.96 1.43 -1.18 -3.82 118.68 111.68 1g91 s LEU 25 Ca 0.50 -0.31 0.06 0.00 -1.03 0.00 0.00 54.13 53.34 1g91 s LEU 25 Cb 0.43 -0.88 -0.22 0.00 0.03 0.00 0.00 46.19 45.55 1g91 s LEU 25 CO 0.05 0.16 0.14 1.21 0.23 0.00 0.00 176.35 178.14 1g91 n GLU 26 N 3.03 0.68 -2.86 1.70 2.13 0.17 -4.75 120.64 120.75 1g91 n GLU 26 Ca -0.17 0.16 0.01 0.00 0.66 0.00 0.00 57.16 57.82 1g91 n GLU 26 Cb 0.53 -1.61 0.01 0.00 0.27 0.00 0.00 31.44 30.64 1g91 n GLU 26 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1g91 n SER 27 N -3.14 -0.60 -3.53 4.31 7.64 -1.15 -5.01 113.62 112.14 1g91 n SER 27 Ca -0.34 -1.15 -0.13 0.00 1.01 0.00 0.00 58.87 58.26 1g91 n SER 27 Cb 1.06 0.94 -0.04 0.00 -1.01 0.00 0.00 64.21 65.16 1g91 n SER 27 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 1g91 s TYR 28 N -2.73 -0.44 0.34 1.43 -0.85 -1.26 -0.19 117.35 113.65 1g91 s TYR 28 Ca 0.14 0.36 -0.02 0.00 -0.52 0.00 0.00 57.07 57.03 1g91 s TYR 28 Cb -0.00 0.40 0.01 0.00 0.38 0.00 0.00 41.96 42.75 1g91 s TYR 28 CO -0.00 -0.72 0.48 1.97 -1.52 0.00 0.00 175.55 175.76 1g91 n PHE 29 N 0.06 -1.45 -3.98 -3.49 -1.74 -0.63 -4.97 117.46 101.26 1g91 n PHE 29 Ca -0.17 -2.27 -0.32 0.00 -0.56 0.00 0.00 57.45 54.12 1g91 n PHE 29 Cb 0.62 0.55 -0.05 0.00 1.52 0.00 0.00 39.48 42.12 1g91 n PHE 29 CO 0.00 0.00 0.00 -1.21 -0.56 0.00 0.00 176.76 174.99 1g91 s GLU 30 N -2.76 3.22 1.18 3.97 2.02 -1.26 -1.00 118.70 124.06 1g91 s GLU 30 Ca 0.28 -0.49 -0.18 0.00 0.02 0.00 0.00 54.97 54.60 1g91 s GLU 30 Cb -0.01 -2.93 0.27 0.00 0.10 0.00 0.00 34.13 31.56 1g91 s GLU 30 CO 0.20 0.62 1.09 0.95 0.02 0.00 0.00 175.26 178.13 1g91 s THR 31 N -1.39 1.68 0.06 3.63 -4.23 -0.64 -4.88 115.64 109.88 1g91 s THR 31 Ca 0.30 0.00 -0.30 0.00 -1.18 0.00 0.00 61.69 60.51 1g91 s THR 31 Cb -0.13 -2.43 -0.05 0.00 1.34 0.00 0.00 72.50 71.24 1g91 s THR 31 CO 0.22 0.00 1.01 0.54 -0.54 0.00 0.00 174.62 175.85 1g91 s ASN 32 N -3.65 7.38 0.66 3.99 2.20 -1.26 -4.84 114.94 119.41 1g91 s ASN 32 Ca 0.69 1.78 0.33 0.00 -0.94 0.00 0.00 52.86 54.73 1g91 s ASN 32 Cb -0.13 -2.58 1.81 0.00 -2.00 0.00 0.00 41.25 38.35 1g91 s ASN 32 CO 0.57 -0.21 2.02 0.77 -2.94 0.00 0.00 177.10 177.31 1g91 h SER 33 N 6.22 0.00 -1.07 3.54 4.64 -1.96 -1.26 113.55 123.66 1g91 h SER 33 Ca -0.42 0.00 0.29 0.00 -0.47 0.00 0.00 61.79 61.19 1g91 h SER 33 Cb 1.22 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.23 1g91 h SER 33 CO 0.74 0.00 0.72 -0.33 -0.87 0.00 0.00 176.83 177.09 1g91 h GLU 34 N 0.00 0.23 -6.17 4.77 5.08 -1.97 -3.35 114.58 113.17 1g91 h GLU 34 Ca 0.00 -0.01 -0.59 0.00 -1.00 0.00 0.00 59.36 57.76 1g91 h GLU 34 Cb 0.51 -0.05 -0.09 0.00 0.50 0.00 0.00 28.75 29.62 1g91 h GLU 34 CO 0.00 0.15 0.66 0.00 -1.00 0.00 0.00 179.01 178.82 1g91 h SER 36 N 8.56 0.07 -4.13 0.00 0.87 -1.88 -2.98 113.55 114.06 1g91 h SER 36 Ca -0.23 0.03 -0.67 0.00 -1.23 0.00 0.00 61.79 59.70 1g91 h SER 36 Cb 1.07 0.03 -0.38 0.00 -0.44 0.00 0.00 62.40 62.68 1g91 h SER 36 CO 1.00 -0.03 -0.55 -0.54 -0.53 0.00 0.00 176.83 176.19 1g91 s LYS 37 N -5.01 2.11 0.19 2.24 1.02 -1.26 -5.08 119.74 113.94 1g91 s LYS 37 Ca -0.06 -2.43 -0.03 0.00 0.02 0.00 0.00 55.97 53.47 1g91 s LYS 37 Cb 0.26 -3.47 0.04 0.00 -0.52 0.00 0.00 37.83 34.15 1g91 s LYS 37 CO 0.85 -1.11 0.23 -0.35 -0.92 0.00 0.00 175.35 174.05 1g91 n PRO 38 N 3.51 -0.50 -3.36 -1.68 -0.04 -1.13 -3.77 135.00 128.02 1g91 n PRO 38 Ca 0.05 -0.36 0.02 0.00 -0.04 0.00 0.00 63.50 63.18 1g91 n PRO 38 Cb 0.36 -0.26 0.01 0.00 -0.04 0.00 0.00 33.50 33.57 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 2.93 0.30 3.64 0.55 0.00 -1.26 -4.72 105.19 106.63 1g91 n GLY 39 Ca 0.03 -0.97 -0.35 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.04 4.92 -0.37 1.61 1.01 -0.94 -1.62 120.40 122.96 1g91 s VAL 40 Ca 0.21 0.02 -0.11 0.00 0.00 0.00 0.00 61.98 62.10 1g91 s VAL 40 Cb -0.00 -3.24 0.03 0.00 0.00 0.00 0.00 36.38 33.16 1g91 s VAL 40 CO -0.01 0.43 0.21 -0.63 0.00 0.00 0.00 175.10 175.11 1g91 s ILE 41 N 0.55 4.61 -0.14 2.22 1.01 -0.17 0.96 121.20 130.23 1g91 s ILE 41 Ca 0.05 -0.84 -0.16 0.00 0.00 0.00 0.00 60.65 59.70 1g91 s ILE 41 Cb -0.13 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 38.73 1g91 s ILE 41 CO 0.01 -0.23 0.39 -0.36 0.00 0.00 0.00 174.94 174.74 1g91 s PHE 42 N 1.56 3.49 -0.14 3.97 0.08 -0.69 -1.60 117.98 124.66 1g91 s PHE 42 Ca 0.02 0.75 -0.07 0.00 0.12 0.00 0.00 56.93 57.75 1g91 s PHE 42 Cb -0.19 -2.45 -0.04 0.00 -0.57 0.00 0.00 43.02 39.77 1g91 s PHE 42 CO 0.07 0.20 0.11 -1.17 -0.10 0.00 0.00 175.22 174.33 1g91 s LEU 43 N 0.55 4.19 0.28 -0.37 0.20 0.73 -2.28 118.68 121.98 1g91 s LEU 43 Ca 0.21 0.34 0.06 0.00 0.69 0.00 0.00 54.13 55.44 1g91 s LEU 43 Cb -0.14 -2.03 -0.03 0.00 -0.43 0.00 0.00 46.19 43.56 1g91 s LEU 43 CO 0.07 0.34 0.33 0.42 -0.29 0.00 0.00 176.35 177.22 1g91 s THR 44 N -0.60 4.53 -1.27 3.68 -4.23 0.17 0.46 115.64 118.38 1g91 s THR 44 Ca 0.12 -1.16 0.13 0.00 -1.18 0.00 0.00 61.69 59.60 1g91 s THR 44 Cb -0.12 -3.54 0.18 0.00 1.34 0.00 0.00 72.50 70.37 1g91 s THR 44 CO 0.02 -0.28 1.37 1.17 -0.54 0.00 0.00 174.62 176.37 1g91 n LYS 45 N -1.39 0.12 -1.08 3.99 0.00 -1.25 -2.04 118.16 116.51 1g91 n LYS 45 Ca -0.06 0.20 -0.13 0.00 0.00 0.00 0.00 58.31 58.33 1g91 n LYS 45 Cb 0.58 -1.50 0.25 0.00 0.00 0.00 0.00 35.03 34.36 1g91 n LYS 45 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1g91 n LYS 46 N -1.37 3.12 -2.52 1.64 4.01 -1.26 -4.87 118.16 116.92 1g91 n LYS 46 Ca 0.05 -2.97 -0.21 0.00 -0.51 0.00 0.00 58.31 54.68 1g91 n LYS 46 Cb 0.12 -2.18 -0.00 0.00 -0.51 0.00 0.00 35.03 32.46 1g91 n LYS 46 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1g91 n GLY 47 N -0.50 -0.50 3.33 0.72 0.00 -0.86 -4.96 105.19 102.42 1g91 n GLY 47 Ca 0.47 0.03 -0.34 0.00 0.00 0.00 0.00 46.02 46.18 1g91 n GLY 47 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1g91 s ARG 48 N -5.18 3.37 -0.01 1.61 3.52 -1.24 -4.91 118.95 116.11 1g91 s ARG 48 Ca 0.06 -0.65 0.07 0.00 -0.13 0.00 0.00 55.73 55.07 1g91 s ARG 48 Cb -0.03 -2.83 -0.02 0.00 -1.56 0.00 0.00 34.95 30.51 1g91 s ARG 48 CO 0.07 -0.02 -0.21 1.03 -0.81 0.00 0.00 175.30 175.37 1g91 s ARG 49 N 0.97 1.63 0.07 5.12 0.52 -1.26 0.41 118.95 126.41 1g91 s ARG 49 Ca -0.01 -0.77 -0.05 0.00 -0.52 0.00 0.00 55.73 54.37 1g91 s ARG 49 Cb -0.15 -1.60 -0.02 0.00 0.52 0.00 0.00 34.95 33.70 1g91 s ARG 49 CO -0.00 0.44 0.10 -0.59 0.02 0.00 0.00 175.30 175.26 1g91 s PHE 50 N -0.53 0.30 0.43 -0.53 -0.12 -0.97 -4.96 117.98 111.60 1g91 s PHE 50 Ca 0.08 -0.78 -0.22 0.00 -0.05 0.00 0.00 56.93 55.96 1g91 s PHE 50 Cb -0.08 -0.20 -0.10 0.00 -0.63 0.00 0.00 43.02 42.01 1g91 s PHE 50 CO -0.00 -0.47 0.98 0.00 -0.05 0.00 0.00 175.22 175.67 1g91 s ALA 52 N -2.04 0.18 0.23 0.00 0.00 0.27 -1.85 121.76 118.56 1g91 s ALA 52 Ca 0.61 -0.40 -0.30 0.00 0.00 0.00 0.00 51.96 51.87 1g91 s ALA 52 Cb -0.13 0.06 -0.09 0.00 0.00 0.00 0.00 23.12 22.97 1g91 s ALA 52 CO 0.17 -0.07 0.95 1.21 0.00 0.00 0.00 175.76 178.02 1g91 s ASN 53 N -0.91 7.61 0.15 0.00 3.84 -1.26 -2.22 114.94 122.15 1g91 s ASN 53 Ca -0.09 1.96 0.24 0.00 0.21 0.00 0.00 52.86 55.18 1g91 s ASN 53 Cb -0.06 -2.61 0.92 0.00 -0.55 0.00 0.00 41.25 38.95 1g91 s ASN 53 CO -0.00 0.12 1.75 -0.81 -2.79 0.00 0.00 177.10 175.36 1g91 n PRO 54 N 1.60 0.15 0.00 0.43 -0.04 -1.26 -2.50 135.00 133.37 1g91 n PRO 54 Ca -0.02 0.23 0.13 0.00 -0.04 0.00 0.00 63.50 63.80 1g91 n PRO 54 Cb 0.47 -1.71 0.27 0.00 -0.04 0.00 0.00 33.50 32.48 1g91 n PRO 54 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1g91 n SER 55 N -1.98 2.36 -4.68 3.54 7.64 -1.26 -4.69 113.62 114.54 1g91 n SER 55 Ca 0.05 -1.78 -0.42 0.00 1.01 0.00 0.00 58.87 57.73 1g91 n SER 55 Cb 0.32 0.01 -0.03 0.00 -1.01 0.00 0.00 64.21 63.51 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 -2.02 6.90 0.18 6.43 -1.08 -1.04 -4.90 116.67 121.14 1g91 s ASP 56 Ca 0.32 1.98 -0.13 0.00 -0.52 0.00 0.00 52.55 54.19 1g91 s ASP 56 Cb 0.20 -2.55 0.18 0.00 -1.46 0.00 0.00 42.92 39.29 1g91 s ASP 56 CO 0.32 -0.71 1.73 0.07 0.52 0.00 0.00 175.17 177.10 1g91 h LYS 57 N 7.94 0.27 -0.21 4.34 2.10 -1.90 0.22 116.57 129.32 1g91 h LYS 57 Ca -0.35 -0.02 0.06 0.00 -2.00 0.00 0.00 60.65 58.34 1g91 h LYS 57 Cb 1.16 -0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 32.42 1g91 h LYS 57 CO 0.91 0.18 0.16 1.96 -2.00 0.00 0.00 179.45 180.66 1g91 h GLN 58 N 0.28 0.00 0.04 0.07 1.08 -1.96 0.32 115.11 114.94 1g91 h GLN 58 Ca 0.24 0.00 -0.25 0.00 -1.45 0.00 0.00 58.65 57.19 1g91 h GLN 58 Cb 0.30 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 27.76 1g91 h GLN 58 CO -0.29 0.00 -1.02 0.28 -0.95 0.00 0.00 178.83 176.85 1g91 h VAL 59 N 0.00 1.32 -0.02 -0.54 2.07 -0.93 -2.41 116.25 115.73 1g91 h VAL 59 Ca 0.10 -2.29 -0.09 0.00 0.82 0.00 0.00 66.70 65.24 1g91 h VAL 59 Cb 0.42 2.56 -0.01 0.00 -1.52 0.00 0.00 31.29 32.74 1g91 h VAL 59 CO -0.00 0.70 -0.39 1.56 0.02 0.00 0.00 177.57 179.45 1g91 h GLN 60 N 0.23 0.04 -0.04 1.57 4.20 0.07 0.14 115.11 121.32 1g91 h GLN 60 Ca -0.14 -0.02 -0.20 0.00 0.06 0.00 0.00 58.65 58.36 1g91 h GLN 60 Cb 1.70 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.47 1g91 h GLN 60 CO 0.20 0.42 -0.82 0.28 -0.67 0.00 0.00 178.83 178.25 1g91 h VAL 61 N 0.03 1.41 0.00 -0.54 2.07 -0.98 -3.18 116.25 115.06 1g91 h VAL 61 Ca 0.00 -2.33 -0.19 0.00 0.82 0.00 0.00 66.70 65.00 1g91 h VAL 61 Cb 0.71 2.28 -0.03 0.00 -1.52 0.00 0.00 31.29 32.72 1g91 h VAL 61 CO 0.05 0.69 -0.98 0.00 0.02 0.00 0.00 177.57 177.35 1g91 h MET 63 N 0.00 0.00 0.00 0.00 2.07 -0.72 -1.46 114.93 114.83 1g91 h MET 63 Ca -0.04 0.00 -0.09 0.00 -2.07 0.00 0.00 59.70 57.50 1g91 h MET 63 Cb 1.71 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 31.42 1g91 h MET 63 CO 0.11 0.00 -0.51 -0.09 1.07 0.00 0.00 176.91 177.49 1g91 h ARG 64 N 0.00 0.00 0.77 1.72 2.43 -1.63 -3.39 114.38 114.28 1g91 h ARG 64 Ca 0.00 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 1g91 h ARG 64 Cb 0.14 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.70 1g91 h ARG 64 CO 0.00 0.86 -0.37 1.98 -1.51 0.00 0.00 179.97 180.93 1g91 h MET 65 N -1.00 -0.99 -5.42 0.20 4.05 -1.53 -3.28 114.93 106.96 1g91 h MET 65 Ca -0.13 0.07 -0.48 0.00 -0.28 0.00 0.00 59.70 58.88 1g91 h MET 65 Cb 1.00 0.23 -0.04 0.00 -0.80 0.00 0.00 31.60 31.99 1g91 h MET 65 CO -0.08 -0.66 1.60 1.28 0.23 0.00 0.00 176.91 179.28 1g91 n LEU 66 N -5.53 3.86 0.00 3.39 7.99 -0.60 -4.91 117.00 121.19 1g91 n LEU 66 Ca -0.15 -3.40 0.00 0.00 -0.01 0.00 0.00 56.01 52.45 1g91 n LEU 66 Cb 0.41 -1.68 0.00 0.00 -0.11 0.00 0.00 43.42 42.05 1g91 n LEU 66 CO 0.39 -1.01 0.00 0.29 -1.51 0.00 0.00 177.39 175.55 1g91 n LYS 67 N 8.09 2.56 -1.14 3.23 4.76 -1.24 -4.71 118.16 129.71 1g91 n LYS 67 Ca 0.47 0.00 -0.40 0.00 -2.87 0.00 0.00 58.31 55.51 1g91 n LYS 67 Cb 0.45 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.60 1g91 n LYS 67 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1g91 n LEU 68 N 0.00 4.44 -3.27 -0.35 7.99 -1.26 -4.71 117.00 119.83 1g91 n LEU 68 Ca 0.00 -2.99 -0.38 0.00 -0.01 0.00 0.00 56.01 52.63 1g91 n LEU 68 Cb 0.00 -1.15 -0.00 0.00 -0.11 0.00 0.00 43.42 42.16 1g91 n LEU 68 CO 0.00 -0.10 1.85 -0.67 -1.51 0.00 0.00 177.39 176.96 1g91 n ASP 69 N 6.90 7.49 -3.47 -1.43 -0.08 -1.26 -4.76 116.55 119.94 1g91 n ASP 69 Ca 0.49 -3.41 -0.31 0.00 -1.51 0.00 0.00 54.79 50.05 1g91 n ASP 69 Cb 0.36 -1.24 -0.05 0.00 2.34 0.00 0.00 41.12 42.53 1g91 n ASP 69 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 1g91 n THR 70 N 0.73 3.29 -2.75 5.18 -1.04 -1.26 -4.99 114.28 113.44 1g91 n THR 70 Ca 0.54 -5.47 0.00 0.00 -2.04 0.00 0.00 64.05 57.08 1g91 n THR 70 Cb 0.30 -1.95 0.00 0.00 -1.82 0.00 0.00 70.33 66.86 1g91 n THR 70 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1g91 n ARG 71 N 0.71 1.09 -3.57 -2.82 1.74 -1.26 -5.10 116.66 107.46 1g91 n ARG 71 Ca 0.30 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 57.09 1g91 n ARG 71 Cb 0.38 0.00 -0.13 0.00 -1.02 0.00 0.00 32.46 31.69 1g91 n ARG 71 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 1g91 s ILE 72 N 0.93 0.41 -1.42 0.55 -4.36 -1.26 -5.03 121.20 111.02 1g91 s ILE 72 Ca 0.00 -1.55 -0.13 0.00 -0.26 0.00 0.00 60.65 58.71 1g91 s ILE 72 Cb 0.00 -1.31 0.07 0.00 1.25 0.00 0.00 42.46 42.47 1g91 s ILE 72 CO 0.00 -0.86 2.15 0.29 0.24 0.00 0.00 174.94 176.76 1g91 n LYS 73 N 4.40 3.02 -0.38 0.37 5.02 -1.26 -4.53 118.16 124.81 1g91 n LYS 73 Ca 0.05 -2.81 0.09 0.00 -2.02 0.00 0.00 58.31 53.61 1g91 n LYS 73 Cb 0.39 -3.21 0.27 0.00 -0.02 0.00 0.00 35.03 32.45 1g91 n LYS 73 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1g91 n THR 74 N 4.73 1.35 -2.29 -0.18 5.66 -1.26 -4.49 114.28 117.80 1g91 n THR 74 Ca 0.49 -1.14 -0.04 0.00 -3.05 0.00 0.00 64.05 60.31 1g91 n THR 74 Cb 0.38 0.33 0.03 0.00 -1.55 0.00 0.00 70.33 69.52 1g91 n THR 74 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 1g91 n ARG 75 N 0.89 0.60 -2.75 1.09 3.00 -1.26 -4.97 116.66 113.27 1g91 n ARG 75 Ca 0.20 -0.96 -0.03 0.00 -0.00 0.00 0.00 57.85 57.06 1g91 n ARG 75 Cb 0.65 0.43 0.05 0.00 0.00 0.00 0.00 32.46 33.59 1g91 n ARG 75 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1g91 n LYS 76 N -0.68 1.89 0.00 -0.14 4.01 -1.26 -5.26 118.16 116.71 1g91 n LYS 76 Ca -0.20 -3.57 0.00 0.00 -0.51 0.00 0.00 58.31 54.04 1g91 n LYS 76 Cb 0.73 -1.66 0.02 0.00 -0.51 0.00 0.00 35.03 33.62 1g91 n LYS 76 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58