#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 7.45 -4.75 7.83 8.00 -1.26 -5.00 116.55 128.83 1g91 n ASP 2 Ca 0.00 -3.59 -0.41 0.00 0.71 0.00 0.00 54.79 51.50 1g91 n ASP 2 Cb 0.00 -1.18 -0.04 0.00 -0.02 0.00 0.00 41.12 39.88 1g91 n ASP 2 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1g91 s ARG 3 N -3.53 4.53 -0.92 -1.24 1.81 -1.26 -4.97 118.95 113.37 1g91 s ARG 3 Ca 0.46 1.90 -0.05 0.00 -1.72 0.00 0.00 55.73 56.32 1g91 s ARG 3 Cb 0.27 -3.19 0.23 0.00 -0.45 0.00 0.00 34.95 31.80 1g91 s ARG 3 CO -0.20 0.01 0.83 -0.06 -0.68 0.00 0.00 175.30 175.21 1g91 s PHE 4 N -0.65 3.94 -0.07 -0.53 0.08 -1.26 -4.75 117.98 114.74 1g91 s PHE 4 Ca 0.49 -2.81 -0.01 0.00 0.12 0.00 0.00 56.93 54.72 1g91 s PHE 4 Cb -0.33 -3.45 -0.04 0.00 -0.57 0.00 0.00 43.02 38.62 1g91 s PHE 4 CO 0.41 -0.83 -0.07 -2.39 -0.10 0.00 0.00 175.22 172.23 1g91 n HIS 5 N 2.71 0.00 1.36 0.36 1.44 -1.26 -4.57 115.22 115.26 1g91 n HIS 5 Ca 0.20 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 55.94 1g91 n HIS 5 Cb 0.39 -0.26 0.08 0.00 0.12 0.00 0.00 29.99 30.32 1g91 n HIS 5 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1g91 n ALA 6 N -2.94 2.50 -2.51 1.59 0.00 -1.26 -3.98 120.51 113.91 1g91 n ALA 6 Ca -0.13 -0.33 -0.28 0.00 0.00 0.00 0.00 53.44 52.70 1g91 n ALA 6 Cb 0.62 -0.99 -0.00 0.00 0.00 0.00 0.00 19.45 19.08 1g91 n ALA 6 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1g91 n THR 7 N 0.04 2.66 -1.44 0.00 -2.24 -1.26 -5.03 114.28 107.01 1g91 n THR 7 Ca 0.06 -5.00 -0.47 0.00 -2.27 0.00 0.00 64.05 56.37 1g91 n THR 7 Cb 0.18 -1.29 -0.11 0.00 -2.10 0.00 0.00 70.33 67.01 1g91 n THR 7 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1g91 n SER 8 N -0.44 1.09 -4.34 3.42 2.88 -1.26 -4.88 113.62 110.09 1g91 n SER 8 Ca 0.39 0.24 -0.29 0.00 -1.33 0.00 0.00 58.87 57.89 1g91 n SER 8 Cb 0.57 -1.09 0.20 0.00 -0.75 0.00 0.00 64.21 63.15 1g91 n SER 8 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1g91 s ALA 9 N 8.42 0.77 0.15 -1.46 0.00 -1.26 -5.02 121.76 123.36 1g91 s ALA 9 Ca 1.21 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.56 1g91 s ALA 9 Cb -1.07 -3.02 0.00 0.00 0.00 0.00 0.00 23.12 19.03 1g91 s ALA 9 CO 0.50 -3.17 0.00 -3.47 0.00 0.00 0.00 175.76 169.62 1g91 n ASP 10 N -4.43 0.71 -4.50 0.00 -0.08 -1.26 -5.09 116.55 101.90 1g91 n ASP 10 Ca 0.08 0.24 -0.26 0.00 -1.51 0.00 0.00 54.79 53.34 1g91 n ASP 10 Cb 0.58 -0.11 0.13 0.00 2.34 0.00 0.00 41.12 44.06 1g91 n ASP 10 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1g91 n ILE 13 N 4.70 0.41 -3.64 0.00 0.13 -1.26 -4.81 119.36 114.89 1g91 n ILE 13 Ca 0.08 -0.36 -0.09 0.00 -1.10 0.00 0.00 62.75 61.28 1g91 n ILE 13 Cb 0.48 -0.31 -0.07 0.00 -0.84 0.00 0.00 39.64 38.91 1g91 n ILE 13 CO 0.00 0.00 0.00 -0.94 2.80 0.00 0.00 176.55 178.41 1g91 s SER 14 N -3.86 -0.53 0.10 9.51 1.04 -1.26 -5.15 113.70 113.55 1g91 s SER 14 Ca -0.05 0.98 -0.15 0.00 0.48 0.00 0.00 55.95 57.22 1g91 s SER 14 Cb 0.05 1.04 -0.06 0.00 0.10 0.00 0.00 66.02 67.15 1g91 s SER 14 CO 0.44 -0.17 0.51 -0.31 0.98 0.00 0.00 173.24 174.70 1g91 s TYR 15 N 0.51 3.66 -0.21 5.02 1.51 -1.26 -3.78 117.35 122.80 1g91 s TYR 15 Ca -0.00 1.05 -0.30 0.00 -1.01 0.00 0.00 57.07 56.81 1g91 s TYR 15 Cb -0.05 -2.35 -0.07 0.00 -0.11 0.00 0.00 41.96 39.38 1g91 s TYR 15 CO -0.08 0.51 2.18 -2.37 -1.11 0.00 0.00 175.55 174.69 1g91 n THR 16 N 1.16 0.36 -0.98 -0.71 5.66 -0.96 -4.80 114.28 114.01 1g91 n THR 16 Ca -0.08 -0.38 -0.21 0.00 -3.05 0.00 0.00 64.05 60.32 1g91 n THR 16 Cb 0.52 -2.35 -0.09 0.00 -1.55 0.00 0.00 70.33 66.86 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 8.46 2.40 -3.56 1.09 -0.04 -1.26 -4.78 135.00 137.30 1g91 n PRO 17 Ca 0.31 -1.38 -0.17 0.00 -0.04 0.00 0.00 63.50 62.22 1g91 n PRO 17 Cb 0.40 -2.29 -0.06 0.00 -0.04 0.00 0.00 33.50 31.50 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 1.94 1.00 -0.38 0.54 0.52 -1.26 -5.12 118.95 116.18 1g91 s ARG 18 Ca 0.58 0.14 -0.25 0.00 -0.52 0.00 0.00 55.73 55.68 1g91 s ARG 18 Cb 0.21 0.47 0.01 0.00 0.52 0.00 0.00 34.95 36.16 1g91 s ARG 18 CO -0.02 -0.31 0.87 0.45 0.02 0.00 0.00 175.30 176.30 1g91 s SER 19 N -1.29 6.60 -0.13 0.23 0.15 -1.26 -5.03 113.70 112.97 1g91 s SER 19 Ca -0.11 0.42 -0.04 0.00 0.70 0.00 0.00 55.95 56.92 1g91 s SER 19 Cb -0.01 -2.44 -0.04 0.00 -1.71 0.00 0.00 66.02 61.83 1g91 s SER 19 CO 0.08 -0.84 0.03 -0.63 1.20 0.00 0.00 173.24 173.08 1g91 s ILE 20 N 3.36 4.51 0.28 6.45 1.01 -1.26 -5.09 121.20 130.47 1g91 s ILE 20 Ca 0.35 -0.15 -0.28 0.00 0.00 0.00 0.00 60.65 60.56 1g91 s ILE 20 Cb -0.12 -2.96 -0.09 0.00 0.01 0.00 0.00 42.46 39.29 1g91 s ILE 20 CO 0.19 0.54 0.97 -2.16 0.00 0.00 0.00 174.94 174.48 1g91 s PRO 21 N -0.27 4.71 0.60 2.79 0.04 -1.26 -4.92 135.00 136.69 1g91 s PRO 21 Ca 0.07 1.50 0.29 0.00 0.04 0.00 0.00 61.00 62.90 1g91 s PRO 21 Cb -0.12 -3.09 1.63 0.00 0.04 0.00 0.00 34.50 32.96 1g91 s PRO 21 CO 0.02 0.37 2.04 0.00 0.04 0.00 0.00 177.00 179.47 1g91 h SER 23 N 0.00 0.00 -0.60 0.00 0.02 -2.03 -1.88 113.55 109.07 1g91 h SER 23 Ca 0.11 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.82 1g91 h SER 23 Cb 0.67 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.06 1g91 h SER 23 CO -0.00 0.00 0.21 -0.11 -1.14 0.00 0.00 176.83 175.78 1g91 n LEU 24 N -2.78 5.26 -4.07 5.07 0.00 0.15 -4.93 117.00 115.70 1g91 n LEU 24 Ca -0.00 -3.47 -0.23 0.00 0.00 0.00 0.00 56.01 52.31 1g91 n LEU 24 Cb 0.20 -0.70 -0.16 0.00 0.00 0.00 0.00 43.42 42.76 1g91 n LEU 24 CO 0.22 1.00 -0.47 -0.76 0.00 0.00 0.00 177.39 177.37 1g91 s LEU 25 N -3.13 1.85 -0.15 -1.96 1.43 -0.71 -4.26 118.68 111.75 1g91 s LEU 25 Ca 0.50 -0.27 -0.06 0.00 -1.03 0.00 0.00 54.13 53.27 1g91 s LEU 25 Cb 0.42 -0.76 -0.24 0.00 0.03 0.00 0.00 46.19 45.64 1g91 s LEU 25 CO 0.08 0.11 0.22 1.21 0.23 0.00 0.00 176.35 178.20 1g91 n GLU 26 N 3.22 0.73 -3.54 1.70 2.13 0.50 -4.73 120.64 120.65 1g91 n GLU 26 Ca -0.18 0.25 -0.05 0.00 0.66 0.00 0.00 57.16 57.84 1g91 n GLU 26 Cb 0.54 -1.67 0.02 0.00 0.27 0.00 0.00 31.44 30.60 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 -3.49 -1.79 -3.45 4.31 3.41 -1.20 -5.01 113.62 106.40 1g91 n SER 27 Ca -0.35 -2.10 -0.11 0.00 -0.26 0.00 0.00 58.87 56.05 1g91 n SER 27 Cb 1.02 2.94 -0.02 0.00 -0.26 0.00 0.00 64.21 67.89 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 -2.72 -0.49 0.34 7.33 1.13 -1.26 -0.06 117.35 121.62 1g91 s TYR 28 Ca 0.17 0.36 -0.11 0.00 -1.41 0.00 0.00 57.07 56.08 1g91 s TYR 28 Cb -0.03 0.54 0.04 0.00 -1.10 0.00 0.00 41.96 41.41 1g91 s TYR 28 CO 0.08 -0.73 0.65 1.97 -2.51 0.00 0.00 175.55 175.00 1g91 n PHE 29 N -0.23 -2.07 -4.07 -3.49 -1.74 -0.70 -4.96 117.46 100.21 1g91 n PHE 29 Ca -0.15 -1.71 -0.24 0.00 -0.56 0.00 0.00 57.45 54.79 1g91 n PHE 29 Cb 0.63 0.76 -0.05 0.00 1.52 0.00 0.00 39.48 42.35 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 -2.18 3.02 0.84 3.97 8.01 -1.26 0.20 118.70 131.29 1g91 s GLU 30 Ca 0.16 -0.89 -0.12 0.00 0.01 0.00 0.00 54.97 54.13 1g91 s GLU 30 Cb -0.04 -2.68 0.12 0.00 -4.31 0.00 0.00 34.13 27.22 1g91 s GLU 30 CO 0.12 0.46 1.19 0.95 0.01 0.00 0.00 175.26 177.99 1g91 s THR 31 N -1.89 2.04 0.26 3.63 -4.23 -0.50 -4.84 115.64 110.12 1g91 s THR 31 Ca 0.32 -0.06 -0.30 0.00 -1.18 0.00 0.00 61.69 60.47 1g91 s THR 31 Cb -0.09 -2.98 -0.10 0.00 1.34 0.00 0.00 72.50 70.67 1g91 s THR 31 CO 0.25 0.00 1.32 0.20 -0.54 0.00 0.00 174.62 175.85 1g91 s ASN 32 N -4.68 6.83 0.54 3.99 0.01 -1.26 -4.82 114.94 115.55 1g91 s ASN 32 Ca 0.66 2.54 0.31 0.00 -0.71 0.00 0.00 52.86 55.66 1g91 s ASN 32 Cb -0.08 -2.63 1.52 0.00 0.41 0.00 0.00 41.25 40.47 1g91 s ASN 32 CO 0.49 -0.54 2.07 0.28 -1.51 0.00 0.00 177.10 177.89 1g91 h SER 33 N 4.57 0.00 0.46 -1.22 0.02 -2.00 -1.81 113.55 113.58 1g91 h SER 33 Ca -0.46 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.47 1g91 h SER 33 Cb 1.22 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.76 1g91 h SER 33 CO 0.73 0.09 -0.09 -0.33 -1.14 0.00 0.00 176.83 176.09 1g91 h GLU 34 N 0.00 0.00 -7.05 3.45 5.08 -2.01 -3.43 114.58 110.61 1g91 h GLU 34 Ca -0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 1g91 h GLU 34 Cb 0.38 0.00 0.11 0.00 0.50 0.00 0.00 28.75 29.73 1g91 h GLU 34 CO 0.01 0.09 0.52 0.00 -1.00 0.00 0.00 179.01 178.63 1g91 h SER 36 N 1.41 0.00 -3.68 0.00 0.87 -1.88 -3.38 113.55 106.89 1g91 h SER 36 Ca -0.50 0.00 -0.63 0.00 -1.23 0.00 0.00 61.79 59.43 1g91 h SER 36 Cb 1.28 0.00 -0.40 0.00 -0.44 0.00 0.00 62.40 62.84 1g91 h SER 36 CO 0.57 0.37 -0.71 -0.54 -0.53 0.00 0.00 176.83 175.99 1g91 s LYS 37 N -3.59 1.37 0.81 2.24 1.02 -1.26 -5.11 119.74 115.22 1g91 s LYS 37 Ca 0.00 -1.89 -0.12 0.00 0.02 0.00 0.00 55.97 53.99 1g91 s LYS 37 Cb 0.11 -2.76 0.08 0.00 -0.52 0.00 0.00 37.83 34.73 1g91 s LYS 37 CO 0.69 -1.04 1.12 -1.25 -0.92 0.00 0.00 175.35 173.95 1g91 s PRO 38 N 0.68 2.01 0.00 -1.68 0.04 -1.26 -2.89 135.00 131.90 1g91 s PRO 38 Ca 0.13 0.40 0.00 0.00 0.04 0.00 0.00 61.00 61.58 1g91 s PRO 38 Cb -0.21 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.40 1g91 s PRO 38 CO -0.08 -1.62 0.00 0.41 0.04 0.00 0.00 177.00 175.75 1g91 n GLY 39 N -2.60 -1.37 3.54 0.56 0.00 -1.26 -4.87 105.19 99.19 1g91 n GLY 39 Ca 0.07 -0.98 -0.33 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.80 3.45 -0.27 1.61 1.01 -1.04 -1.41 120.40 120.96 1g91 s VAL 40 Ca 0.00 -0.58 -0.08 0.00 0.00 0.00 0.00 61.98 61.31 1g91 s VAL 40 Cb 0.00 -2.39 -0.02 0.00 0.00 0.00 0.00 36.38 33.96 1g91 s VAL 40 CO 0.00 0.59 0.11 -0.63 0.00 0.00 0.00 175.10 175.17 1g91 s ILE 41 N -0.79 4.49 -0.24 2.22 1.01 0.13 0.79 121.20 128.81 1g91 s ILE 41 Ca 0.12 -0.22 -0.14 0.00 0.00 0.00 0.00 60.65 60.41 1g91 s ILE 41 Cb -0.11 -3.17 -0.04 0.00 0.01 0.00 0.00 42.46 39.15 1g91 s ILE 41 CO 0.01 0.24 0.30 -0.36 0.00 0.00 0.00 174.94 175.14 1g91 s PHE 42 N 1.63 3.31 0.05 3.97 0.40 0.42 -1.72 117.98 126.04 1g91 s PHE 42 Ca 0.06 0.40 -0.04 0.00 -0.60 0.00 0.00 56.93 56.75 1g91 s PHE 42 Cb -0.16 -2.45 -0.05 0.00 0.51 0.00 0.00 43.02 40.87 1g91 s PHE 42 CO 0.05 -0.06 0.27 -1.17 0.70 0.00 0.00 175.22 175.01 1g91 s LEU 43 N 1.48 4.34 0.42 -0.37 2.96 0.92 -2.41 118.68 126.03 1g91 s LEU 43 Ca 0.14 0.47 0.08 0.00 -0.22 0.00 0.00 54.13 54.59 1g91 s LEU 43 Cb -0.15 -2.89 -0.00 0.00 0.50 0.00 0.00 46.19 43.65 1g91 s LEU 43 CO 0.08 0.19 0.49 0.42 -1.32 0.00 0.00 176.35 176.20 1g91 s THR 44 N -1.44 2.82 -1.47 3.68 -4.23 -0.79 -0.37 115.64 113.84 1g91 s THR 44 Ca 0.33 -1.15 0.26 0.00 -1.18 0.00 0.00 61.69 59.94 1g91 s THR 44 Cb -0.13 -2.97 0.47 0.00 1.34 0.00 0.00 72.50 71.22 1g91 s THR 44 CO 0.21 0.00 1.88 1.17 -0.54 0.00 0.00 174.62 177.35 1g91 n LYS 45 N -1.73 0.40 0.00 3.99 4.81 -1.26 -4.11 118.16 120.26 1g91 n LYS 45 Ca 0.06 0.04 0.00 0.00 -0.87 0.00 0.00 58.31 57.54 1g91 n LYS 45 Cb 0.60 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 34.15 1g91 n LYS 45 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1g91 n LYS 46 N -1.27 0.00 0.00 1.64 0.00 -1.26 -5.03 118.16 112.24 1g91 n LYS 46 Ca 0.13 0.06 0.00 0.00 0.00 0.00 0.00 58.31 58.50 1g91 n LYS 46 Cb 0.20 -0.49 0.00 0.00 0.00 0.00 0.00 35.03 34.74 1g91 n LYS 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1g91 n GLY 47 N 1.71 -1.53 2.87 3.14 0.00 -1.26 -5.16 105.19 104.95 1g91 n GLY 47 Ca 0.00 0.63 -0.13 0.00 0.00 0.00 0.00 46.02 46.52 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 0.00 0.02 -0.11 1.61 3.52 -1.26 -4.98 118.95 117.75 1g91 s ARG 48 Ca 0.00 0.15 0.02 0.00 -0.13 0.00 0.00 55.73 55.77 1g91 s ARG 48 Cb 0.00 -0.10 0.01 0.00 -1.56 0.00 0.00 34.95 33.30 1g91 s ARG 48 CO 0.00 -0.09 -0.15 1.03 -0.81 0.00 0.00 175.30 175.28 1g91 s ARG 49 N 0.55 2.21 0.10 5.12 0.52 -1.26 -1.89 118.95 124.30 1g91 s ARG 49 Ca -0.04 -0.56 0.05 0.00 -0.52 0.00 0.00 55.73 54.66 1g91 s ARG 49 Cb -0.06 -1.88 -0.03 0.00 0.52 0.00 0.00 34.95 33.50 1g91 s ARG 49 CO -0.02 -0.06 -0.13 -0.59 0.02 0.00 0.00 175.30 174.52 1g91 s PHE 50 N 0.97 1.24 0.61 -0.53 -0.71 -1.01 -4.92 117.98 113.64 1g91 s PHE 50 Ca -0.07 -0.55 -0.11 0.00 -1.04 0.00 0.00 56.93 55.16 1g91 s PHE 50 Cb -0.15 -0.67 -0.04 0.00 -1.21 0.00 0.00 43.02 40.95 1g91 s PHE 50 CO -0.01 0.08 1.02 0.00 -1.34 0.00 0.00 175.22 174.97 1g91 s ALA 52 N -3.14 0.24 -0.30 0.00 0.00 0.24 -2.28 121.76 116.52 1g91 s ALA 52 Ca 0.55 -1.03 -0.23 0.00 0.00 0.00 0.00 51.96 51.25 1g91 s ALA 52 Cb -0.11 0.77 -0.00 0.00 0.00 0.00 0.00 23.12 23.78 1g91 s ALA 52 CO 0.52 -0.57 0.78 1.21 0.00 0.00 0.00 175.76 177.71 1g91 s ASN 53 N -2.97 6.66 0.00 0.00 3.84 -1.26 -2.49 114.94 118.72 1g91 s ASN 53 Ca 0.17 0.66 0.21 0.00 0.21 0.00 0.00 52.86 54.11 1g91 s ASN 53 Cb 0.05 -2.40 1.23 0.00 -0.55 0.00 0.00 41.25 39.58 1g91 s ASN 53 CO -0.02 -0.60 1.68 -0.81 -2.79 0.00 0.00 177.10 174.56 1g91 n PRO 54 N 6.18 0.81 0.00 0.43 -0.04 -1.26 -2.53 135.00 138.59 1g91 n PRO 54 Ca 0.03 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.57 1g91 n PRO 54 Cb 0.48 -1.40 0.01 0.00 -0.04 0.00 0.00 33.50 32.55 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 -0.90 1.59 -4.74 3.54 7.64 -1.26 -4.85 113.62 114.64 1g91 n SER 55 Ca 0.15 -1.29 -0.40 0.00 1.01 0.00 0.00 58.87 58.34 1g91 n SER 55 Cb 0.07 0.42 -0.05 0.00 -1.01 0.00 0.00 64.21 63.63 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 -1.69 7.50 0.35 6.43 -1.08 -1.05 -4.94 116.67 122.19 1g91 s ASP 56 Ca 0.12 1.78 0.04 0.00 -0.52 0.00 0.00 52.55 53.97 1g91 s ASP 56 Cb 0.12 -2.57 0.64 0.00 -1.46 0.00 0.00 42.92 39.65 1g91 s ASP 56 CO 0.34 0.06 1.94 0.07 0.52 0.00 0.00 175.17 178.11 1g91 h LYS 57 N 4.93 0.65 -0.22 4.34 2.10 -1.93 -1.36 116.57 125.08 1g91 h LYS 57 Ca -0.44 -0.09 0.00 0.00 -2.00 0.00 0.00 60.65 58.12 1g91 h LYS 57 Cb 1.21 -0.12 -0.01 0.00 -0.90 0.00 0.00 32.23 32.40 1g91 h LYS 57 CO 0.70 0.53 0.15 -0.56 -2.00 0.00 0.00 179.45 178.27 1g91 h GLN 58 N 0.64 0.28 -0.09 0.07 3.07 -1.94 0.17 115.11 117.31 1g91 h GLN 58 Ca 0.16 -0.02 -0.17 0.00 0.09 0.00 0.00 58.65 58.71 1g91 h GLN 58 Cb 0.13 -0.06 0.01 0.00 0.08 0.00 0.00 27.48 27.64 1g91 h GLN 58 CO -0.02 0.18 -0.62 0.28 0.09 0.00 0.00 178.83 178.75 1g91 h VAL 59 N 0.29 1.35 -0.32 1.86 2.07 -1.53 -2.53 116.25 117.44 1g91 h VAL 59 Ca 0.08 -1.93 -0.10 0.00 0.82 0.00 0.00 66.70 65.57 1g91 h VAL 59 Cb -0.02 2.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 1g91 h VAL 59 CO -0.02 0.59 -0.23 1.56 0.02 0.00 0.00 177.57 179.49 1g91 h GLN 60 N 0.19 0.61 -0.56 1.57 4.20 -1.02 0.17 115.11 120.28 1g91 h GLN 60 Ca -0.05 -0.23 -0.06 0.00 0.06 0.00 0.00 58.65 58.37 1g91 h GLN 60 Cb 1.27 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 29.00 1g91 h GLN 60 CO 0.13 0.79 0.13 0.28 -0.67 0.00 0.00 178.83 179.49 1g91 h VAL 61 N 0.54 1.25 -0.04 -0.54 2.07 -0.69 -2.71 116.25 116.13 1g91 h VAL 61 Ca 0.08 -0.89 -0.16 0.00 0.82 0.00 0.00 66.70 66.55 1g91 h VAL 61 Cb 0.69 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1g91 h VAL 61 CO 0.05 0.33 -0.70 0.00 0.02 0.00 0.00 177.57 177.27 1g91 h MET 63 N 0.14 0.00 0.21 0.00 2.07 -0.62 0.18 114.93 116.91 1g91 h MET 63 Ca -0.02 0.00 -0.29 0.00 -2.07 0.00 0.00 59.70 57.32 1g91 h MET 63 Cb 1.24 0.00 0.03 0.00 -1.87 0.00 0.00 31.60 31.00 1g91 h MET 63 CO 0.11 0.00 -1.32 0.00 1.07 0.00 0.00 176.91 176.76 1g91 h ARG 64 N 0.00 0.43 0.49 1.72 -0.00 -1.52 -3.37 114.38 112.14 1g91 h ARG 64 Ca 0.30 -0.74 -0.02 0.00 -0.50 0.00 0.00 59.98 59.02 1g91 h ARG 64 Cb 1.50 0.28 -0.01 0.00 0.00 0.00 0.00 29.97 31.73 1g91 h ARG 64 CO -0.00 1.35 -0.43 1.98 0.00 0.00 0.00 179.97 182.87 1g91 h MET 65 N -0.04 -0.87 -5.15 0.04 4.05 -0.71 -3.22 114.93 109.02 1g91 h MET 65 Ca -0.24 0.06 -0.44 0.00 -0.28 0.00 0.00 59.70 58.80 1g91 h MET 65 Cb 1.98 0.20 -0.01 0.00 -0.80 0.00 0.00 31.60 32.97 1g91 h MET 65 CO 0.21 -0.58 1.48 1.28 0.23 0.00 0.00 176.91 179.53 1g91 n LEU 66 N -5.04 3.38 0.19 3.39 4.32 -0.92 -4.64 117.00 117.69 1g91 n LEU 66 Ca -0.11 -3.07 0.14 0.00 -0.02 0.00 0.00 56.01 52.95 1g91 n LEU 66 Cb 0.40 -1.53 0.56 0.00 -1.62 0.00 0.00 43.42 41.23 1g91 n LEU 66 CO 0.24 -1.35 0.91 0.50 -1.22 0.00 0.00 177.39 176.47 1g91 h LYS 67 N 9.11 0.00 -2.65 3.23 1.63 -1.78 -3.30 116.57 122.81 1g91 h LYS 67 Ca 0.29 0.00 -0.41 0.00 -0.85 0.00 0.00 60.65 59.68 1g91 h LYS 67 Cb 0.85 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.46 1g91 h LYS 67 CO 1.47 0.00 1.84 1.47 -3.45 0.00 0.00 179.45 180.78 1g91 n LEU 68 N -2.62 6.49 0.00 5.20 -0.00 -1.26 -4.57 117.00 120.23 1g91 n LEU 68 Ca 0.02 -3.53 0.00 0.00 -0.00 0.00 0.00 56.01 52.49 1g91 n LEU 68 Cb 0.28 -1.38 0.00 0.00 -0.00 0.00 0.00 43.42 42.33 1g91 n LEU 68 CO 0.24 1.63 0.16 -0.67 -0.00 0.00 0.00 177.39 178.75 1g91 n ASP 69 N 3.19 0.00 -3.57 1.45 2.03 -1.24 -4.89 116.55 113.51 1g91 n ASP 69 Ca 0.57 0.63 -0.09 0.00 0.52 0.00 0.00 54.79 56.41 1g91 n ASP 69 Cb 0.49 -0.46 -0.04 0.00 -0.72 0.00 0.00 41.12 40.38 1g91 n ASP 69 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1g91 s THR 70 N -1.56 0.00 1.17 5.18 2.01 -1.26 -4.94 115.64 116.24 1g91 s THR 70 Ca 0.00 0.00 -0.13 0.00 0.31 0.00 0.00 61.69 61.87 1g91 s THR 70 Cb 0.00 -1.00 0.27 0.00 0.01 0.00 0.00 72.50 71.78 1g91 s THR 70 CO 0.00 0.00 0.92 0.54 -0.69 0.00 0.00 174.62 175.39 1g91 n ARG 71 N 0.54 -2.38 0.00 4.92 3.00 -1.26 -5.04 116.66 116.44 1g91 n ARG 71 Ca -0.09 -0.67 0.00 0.00 -0.01 0.00 0.00 57.85 57.09 1g91 n ARG 71 Cb 0.58 -2.13 0.00 0.00 0.00 0.00 0.00 32.46 30.92 1g91 n ARG 71 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.63 178.07 1g91 n ILE 72 N -4.93 0.00 -0.07 0.55 -5.35 -1.26 -5.06 119.36 103.23 1g91 n ILE 72 Ca 0.03 0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 62.39 1g91 n ILE 72 Cb 0.55 0.00 -0.09 0.00 -1.74 0.00 0.00 39.64 38.35 1g91 n ILE 72 CO 0.00 0.00 0.00 0.11 -1.76 0.00 0.00 176.55 174.90 1g91 h LYS 73 N 0.00 0.00 -3.71 6.28 1.57 -2.10 -3.48 116.57 115.12 1g91 h LYS 73 Ca 0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 1g91 h LYS 73 Cb 0.00 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.18 1g91 h LYS 73 CO 0.00 0.73 -0.29 -0.08 -0.57 0.00 0.00 179.45 179.24 1g91 s THR 74 N -2.09 0.11 0.00 -0.16 -1.32 -1.26 -5.17 115.64 105.75 1g91 s THR 74 Ca -0.16 -1.06 0.00 0.00 -1.21 0.00 0.00 61.69 59.26 1g91 s THR 74 Cb -0.01 -1.37 0.00 0.00 -1.51 0.00 0.00 72.50 69.61 1g91 s THR 74 CO 0.50 -0.52 0.00 -1.14 -2.21 0.00 0.00 174.62 171.25 1g91 n ARG 75 N -0.12 2.16 0.00 7.08 3.00 -1.26 -5.03 116.66 122.48 1g91 n ARG 75 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.71 1g91 n ARG 75 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.09 1g91 n ARG 75 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 1g91 n LYS 76 N -0.01 0.00 0.00 -0.14 2.85 -1.26 -5.20 118.16 114.40 1g91 n LYS 76 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1g91 n LYS 76 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1g91 n LYS 76 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44