#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 6.10 1.13 6.12 -4.77 -1.26 -5.10 116.67 118.89 1g91 s ASP 2 Ca 0.00 0.27 -0.08 0.00 -3.30 0.00 0.00 52.55 49.44 1g91 s ASP 2 Cb 0.00 -1.86 0.12 0.00 -1.09 0.00 0.00 42.92 40.10 1g91 s ASP 2 CO 0.00 0.27 0.28 0.54 0.70 0.00 0.00 175.17 176.96 1g91 n ARG 3 N 1.08 -2.80 0.00 2.11 3.00 -1.26 -4.97 116.66 113.82 1g91 n ARG 3 Ca -0.12 -0.47 0.00 0.00 -0.01 0.00 0.00 57.85 57.25 1g91 n ARG 3 Cb 0.53 -0.63 0.00 0.00 0.00 0.00 0.00 32.46 32.36 1g91 n ARG 3 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 1g91 n PHE 4 N -3.90 0.00 0.05 -1.55 3.72 -1.26 -4.74 117.46 109.78 1g91 n PHE 4 Ca 0.04 -0.17 0.08 0.00 -0.05 0.00 0.00 57.45 57.36 1g91 n PHE 4 Cb 0.19 -0.02 -0.07 0.00 -0.94 0.00 0.00 39.48 38.65 1g91 n PHE 4 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 176.76 178.29 1g91 n HIS 5 N -0.17 0.68 -1.99 1.38 -0.00 -1.26 -4.73 115.22 109.13 1g91 n HIS 5 Ca 0.00 0.20 -0.26 0.00 0.46 0.00 0.00 57.72 58.12 1g91 n HIS 5 Cb 0.40 -0.87 -0.05 0.00 -0.12 0.00 0.00 29.99 29.35 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 -3.28 1.59 0.00 1.57 0.00 -1.26 -4.02 121.76 116.36 1g91 s ALA 6 Ca -0.03 -1.33 0.00 0.00 0.00 0.00 0.00 51.96 50.60 1g91 s ALA 6 Cb 0.10 -4.53 0.00 0.00 0.00 0.00 0.00 23.12 18.69 1g91 s ALA 6 CO 0.83 -4.86 0.00 0.25 0.00 0.00 0.00 175.76 171.98 1g91 n THR 7 N 7.92 0.00 -1.14 0.00 -2.24 -1.26 -5.12 114.28 112.44 1g91 n THR 7 Ca 0.39 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.81 1g91 n THR 7 Cb 0.47 -0.01 0.05 0.00 -2.10 0.00 0.00 70.33 68.74 1g91 n THR 7 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1g91 n SER 8 N -1.65 -3.06 -4.72 3.42 3.41 -1.26 -4.80 113.62 104.97 1g91 n SER 8 Ca 0.00 0.47 -0.42 0.00 -0.26 0.00 0.00 58.87 58.66 1g91 n SER 8 Cb 0.00 -1.02 -0.03 0.00 -0.26 0.00 0.00 64.21 62.90 1g91 n SER 8 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1g91 s ALA 9 N -2.01 3.70 0.00 7.33 0.00 -1.26 -4.84 121.76 124.68 1g91 s ALA 9 Ca 0.56 1.27 0.02 0.00 0.00 0.00 0.00 51.96 53.81 1g91 s ALA 9 Cb -0.32 -3.58 0.03 0.00 0.00 0.00 0.00 23.12 19.24 1g91 s ALA 9 CO 0.67 -0.71 0.73 -3.47 0.00 0.00 0.00 175.76 172.98 1g91 n ASP 10 N 3.89 -0.10 -4.76 0.00 -0.08 -1.26 -5.13 116.55 109.11 1g91 n ASP 10 Ca 0.13 -1.44 -0.31 0.00 -1.51 0.00 0.00 54.79 51.66 1g91 n ASP 10 Cb 0.40 -0.01 0.10 0.00 2.34 0.00 0.00 41.12 43.95 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 2.26 0.00 -3.73 0.00 2.08 -1.26 -5.00 119.36 113.70 1g91 n ILE 13 Ca -0.18 -0.29 -0.13 0.00 0.56 0.00 0.00 62.75 62.71 1g91 n ILE 13 Cb 0.53 0.79 -0.13 0.00 -0.75 0.00 0.00 39.64 40.07 1g91 n ILE 13 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 1g91 s SER 14 N -1.63 -0.25 -0.05 4.38 0.15 -1.26 -5.15 113.70 109.90 1g91 s SER 14 Ca 0.00 0.50 -0.04 0.00 0.70 0.00 0.00 55.95 57.11 1g91 s SER 14 Cb 0.02 0.39 -0.04 0.00 -1.71 0.00 0.00 66.02 64.68 1g91 s SER 14 CO 0.10 -0.16 0.16 -0.31 1.20 0.00 0.00 173.24 174.23 1g91 s TYR 15 N 1.17 3.53 -0.08 3.44 1.51 -1.26 -4.40 117.35 121.26 1g91 s TYR 15 Ca -0.09 0.40 -0.29 0.00 -1.01 0.00 0.00 57.07 56.08 1g91 s TYR 15 Cb -0.10 -1.86 -0.06 0.00 -0.11 0.00 0.00 41.96 39.83 1g91 s TYR 15 CO -0.08 0.66 1.92 -0.08 -1.11 0.00 0.00 175.55 176.86 1g91 s THR 16 N -1.21 3.22 -1.13 -0.71 -1.32 -0.93 -4.84 115.64 108.72 1g91 s THR 16 Ca 0.23 0.26 -0.08 0.00 -1.21 0.00 0.00 61.69 60.88 1g91 s THR 16 Cb -0.12 -3.20 -0.12 0.00 -1.51 0.00 0.00 72.50 67.55 1g91 s THR 16 CO 0.13 -0.06 2.87 -0.81 -2.21 0.00 0.00 174.62 174.54 1g91 n PRO 17 N 7.78 2.97 -3.52 7.08 -0.04 -1.26 -4.80 135.00 143.21 1g91 n PRO 17 Ca 0.22 -1.77 -0.11 0.00 -0.04 0.00 0.00 63.50 61.80 1g91 n PRO 17 Cb 0.43 -2.54 -0.04 0.00 -0.04 0.00 0.00 33.50 31.31 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 2.21 0.86 -0.58 0.54 0.52 -1.26 -5.11 118.95 116.12 1g91 s ARG 18 Ca 0.62 -0.10 -0.21 0.00 -0.52 0.00 0.00 55.73 55.52 1g91 s ARG 18 Cb 0.19 0.40 0.07 0.00 0.52 0.00 0.00 34.95 36.13 1g91 s ARG 18 CO -0.04 -0.33 0.79 -1.12 0.02 0.00 0.00 175.30 174.62 1g91 s SER 19 N -1.90 6.21 0.09 0.23 0.01 -1.26 -5.03 113.70 112.05 1g91 s SER 19 Ca -0.00 -1.04 -0.25 0.00 1.31 0.00 0.00 55.95 55.97 1g91 s SER 19 Cb -0.01 -2.35 -0.07 0.00 0.21 0.00 0.00 66.02 63.81 1g91 s SER 19 CO -0.03 -1.17 0.75 -0.63 0.41 0.00 0.00 173.24 172.57 1g91 s ILE 20 N 3.23 4.60 0.59 1.44 -1.09 -1.26 -5.05 121.20 123.65 1g91 s ILE 20 Ca 0.18 1.62 -0.13 0.00 -2.23 0.00 0.00 60.65 60.09 1g91 s ILE 20 Cb -0.19 -4.10 -0.05 0.00 -1.58 0.00 0.00 42.46 36.53 1g91 s ILE 20 CO 0.10 0.44 1.02 -2.16 -1.23 0.00 0.00 174.94 173.11 1g91 s PRO 21 N -0.55 3.67 0.42 2.79 0.04 -1.26 -4.94 135.00 135.17 1g91 s PRO 21 Ca 0.37 0.84 0.18 0.00 0.04 0.00 0.00 61.00 62.43 1g91 s PRO 21 Cb -0.21 -2.09 0.94 0.00 0.04 0.00 0.00 34.50 33.17 1g91 s PRO 21 CO 0.24 -0.51 1.89 0.00 0.04 0.00 0.00 177.00 178.66 1g91 h SER 23 N 0.00 0.00 -0.64 0.00 0.87 -2.02 0.47 113.55 112.23 1g91 h SER 23 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1g91 h SER 23 Cb 0.58 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.54 1g91 h SER 23 CO 0.04 0.00 0.00 0.18 -0.53 0.00 0.00 176.83 176.52 1g91 n LEU 24 N -3.96 4.41 -4.19 2.23 4.32 -0.88 -4.91 117.00 114.03 1g91 n LEU 24 Ca 0.04 -2.33 -0.27 0.00 -0.02 0.00 0.00 56.01 53.44 1g91 n LEU 24 Cb 0.42 -0.53 -0.16 0.00 -1.62 0.00 0.00 43.42 41.53 1g91 n LEU 24 CO 0.30 0.85 -0.52 -0.76 -1.22 0.00 0.00 177.39 176.04 1g91 s LEU 25 N -1.62 2.02 0.00 2.23 1.43 0.17 -3.81 118.68 119.10 1g91 s LEU 25 Ca 0.48 -0.36 0.00 0.00 -1.03 0.00 0.00 54.13 53.22 1g91 s LEU 25 Cb 0.30 -1.02 0.00 0.00 0.03 0.00 0.00 46.19 45.50 1g91 s LEU 25 CO 0.26 0.23 0.06 -1.84 0.23 0.00 0.00 176.35 175.28 1g91 n GLU 26 N 2.72 4.88 -3.60 1.70 0.28 -0.40 -4.83 120.64 121.38 1g91 n GLU 26 Ca -0.16 -0.06 -0.04 0.00 -0.16 0.00 0.00 57.16 56.74 1g91 n GLU 26 Cb 0.53 -0.49 -0.02 0.00 1.43 0.00 0.00 31.44 32.89 1g91 n GLU 26 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 1g91 s SER 27 N -0.72 -0.20 0.03 -1.84 1.04 -1.18 -5.03 113.70 105.80 1g91 s SER 27 Ca 0.00 -0.11 -0.28 0.00 0.48 0.00 0.00 55.95 56.03 1g91 s SER 27 Cb 0.00 0.30 0.09 0.00 0.10 0.00 0.00 66.02 66.51 1g91 s SER 27 CO 0.00 -0.52 1.02 -0.72 0.98 0.00 0.00 173.24 174.00 1g91 s TYR 28 N -2.83 -0.19 -0.05 5.02 1.13 -1.26 0.09 117.35 119.26 1g91 s TYR 28 Ca 0.09 0.00 -0.31 0.00 -1.41 0.00 0.00 57.07 55.45 1g91 s TYR 28 Cb 0.00 0.58 0.11 0.00 -1.10 0.00 0.00 41.96 41.55 1g91 s TYR 28 CO -0.04 -0.57 1.01 -0.59 -2.51 0.00 0.00 175.55 172.84 1g91 s PHE 29 N -2.99 -0.25 0.61 -3.49 -0.12 -0.17 -4.97 117.98 106.60 1g91 s PHE 29 Ca 0.10 0.13 -0.15 0.00 -0.05 0.00 0.00 56.93 56.96 1g91 s PHE 29 Cb -0.00 0.54 -0.03 0.00 -0.63 0.00 0.00 43.02 42.90 1g91 s PHE 29 CO -0.03 -0.45 1.06 -1.21 -0.05 0.00 0.00 175.22 174.54 1g91 s GLU 30 N -2.88 3.24 0.77 1.99 2.02 -1.26 0.11 118.70 122.68 1g91 s GLU 30 Ca 0.07 1.21 -0.13 0.00 0.02 0.00 0.00 54.97 56.14 1g91 s GLU 30 Cb -0.01 -2.02 0.19 0.00 0.10 0.00 0.00 34.13 32.39 1g91 s GLU 30 CO -0.07 -0.88 0.78 0.25 0.02 0.00 0.00 175.26 175.37 1g91 n THR 31 N -2.15 0.00 -2.69 3.63 -2.24 -0.41 -4.78 114.28 105.64 1g91 n THR 31 Ca 0.09 -0.43 -0.42 0.00 -2.27 0.00 0.00 64.05 61.02 1g91 n THR 31 Cb 0.53 -1.31 -0.03 0.00 -2.10 0.00 0.00 70.33 67.42 1g91 n THR 31 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1g91 s ASN 32 N -3.73 7.31 0.49 3.42 -0.87 -1.26 -4.89 114.94 115.42 1g91 s ASN 32 Ca 0.49 1.62 0.33 0.00 -1.57 0.00 0.00 52.86 53.73 1g91 s ASN 32 Cb -0.04 -2.56 1.78 0.00 -0.02 0.00 0.00 41.25 40.40 1g91 s ASN 32 CO 0.36 -0.34 2.01 0.28 -2.57 0.00 0.00 177.10 176.85 1g91 h SER 33 N 6.92 0.00 -0.96 -1.22 0.02 -1.98 -2.24 113.55 114.09 1g91 h SER 33 Ca -0.37 0.00 0.25 0.00 -0.84 0.00 0.00 61.79 60.83 1g91 h SER 33 Cb 1.19 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.67 1g91 h SER 33 CO 0.79 0.00 0.65 -0.33 -1.14 0.00 0.00 176.83 176.81 1g91 h GLU 34 N 0.00 0.22 -6.81 3.45 5.08 -2.00 -3.40 114.58 111.13 1g91 h GLU 34 Ca 0.00 -0.01 -0.49 0.00 -1.00 0.00 0.00 59.36 57.86 1g91 h GLU 34 Cb 0.03 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1g91 h GLU 34 CO 0.00 0.15 0.14 0.00 -1.00 0.00 0.00 179.01 178.29 1g91 n SER 36 N -0.71 0.27 -4.08 0.00 2.88 -1.26 -4.43 113.62 106.29 1g91 n SER 36 Ca 0.04 0.53 -0.35 0.00 -1.33 0.00 0.00 58.87 57.75 1g91 n SER 36 Cb 0.53 -0.60 -0.12 0.00 -0.75 0.00 0.00 64.21 63.28 1g91 n SER 36 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1g91 s LYS 37 N -3.04 2.11 0.84 -1.46 3.01 -1.26 -5.09 119.74 114.86 1g91 s LYS 37 Ca 0.13 -2.14 -0.12 0.00 -1.01 0.00 0.00 55.97 52.82 1g91 s LYS 37 Cb 0.16 -3.56 0.10 0.00 -1.01 0.00 0.00 37.83 33.52 1g91 s LYS 37 CO 0.54 -1.09 1.15 -1.25 0.51 0.00 0.00 175.35 175.21 1g91 s PRO 38 N 0.57 1.74 -0.03 -1.68 0.04 -1.26 -4.69 135.00 129.69 1g91 s PRO 38 Ca 0.12 0.25 -0.31 0.00 0.04 0.00 0.00 61.00 61.11 1g91 s PRO 38 Cb -0.22 -1.91 0.12 0.00 0.04 0.00 0.00 34.50 32.53 1g91 s PRO 38 CO -0.04 -1.78 1.32 0.20 0.04 0.00 0.00 177.00 176.74 1g91 s GLY 39 N -4.29 -0.39 -0.24 0.56 0.00 -1.26 -4.99 107.32 96.71 1g91 s GLY 39 Ca 0.62 0.64 -0.08 0.00 0.00 0.00 0.00 44.72 45.91 1g91 s GLY 39 CO 0.51 1.03 0.08 0.14 0.00 0.00 0.00 173.10 174.87 1g91 s VAL 40 N -2.28 4.51 -0.20 1.40 1.01 -1.00 -1.29 120.40 122.55 1g91 s VAL 40 Ca 0.17 -0.11 -0.20 0.00 0.00 0.00 0.00 61.98 61.84 1g91 s VAL 40 Cb 0.05 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.30 1g91 s VAL 40 CO -0.04 0.35 0.59 -0.63 0.00 0.00 0.00 175.10 175.37 1g91 s ILE 41 N 1.44 5.05 -0.21 2.22 1.01 0.12 0.13 121.20 130.97 1g91 s ILE 41 Ca 0.06 1.11 -0.04 0.00 0.00 0.00 0.00 60.65 61.77 1g91 s ILE 41 Cb -0.15 -3.91 -0.02 0.00 0.01 0.00 0.00 42.46 38.39 1g91 s ILE 41 CO 0.04 0.14 -0.03 -0.36 0.00 0.00 0.00 174.94 174.73 1g91 s PHE 42 N 1.80 2.99 -0.10 3.97 0.08 0.47 -1.00 117.98 126.19 1g91 s PHE 42 Ca 0.27 -0.68 -0.06 0.00 0.12 0.00 0.00 56.93 56.59 1g91 s PHE 42 Cb -0.16 -2.08 -0.04 0.00 -0.57 0.00 0.00 43.02 40.17 1g91 s PHE 42 CO 0.10 -0.38 0.12 -1.17 -0.10 0.00 0.00 175.22 173.80 1g91 s LEU 43 N 1.19 4.26 0.46 -0.37 0.20 0.11 -1.77 118.68 122.76 1g91 s LEU 43 Ca 0.03 0.40 0.08 0.00 0.69 0.00 0.00 54.13 55.33 1g91 s LEU 43 Cb -0.14 -2.09 0.01 0.00 -0.43 0.00 0.00 46.19 43.53 1g91 s LEU 43 CO 0.00 0.39 0.48 0.42 -0.29 0.00 0.00 176.35 177.34 1g91 s THR 44 N -1.04 2.51 -2.00 3.68 -4.23 0.18 -1.28 115.64 113.46 1g91 s THR 44 Ca 0.16 -1.25 0.16 0.00 -1.18 0.00 0.00 61.69 59.58 1g91 s THR 44 Cb -0.12 -2.76 0.46 0.00 1.34 0.00 0.00 72.50 71.42 1g91 s THR 44 CO 0.05 0.00 1.62 1.17 -0.54 0.00 0.00 174.62 176.92 1g91 n LYS 45 N -1.73 0.99 -1.03 3.99 0.00 -1.25 -3.24 118.16 115.87 1g91 n LYS 45 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 58.31 58.23 1g91 n LYS 45 Cb 0.62 -1.26 0.18 0.00 0.00 0.00 0.00 35.03 34.56 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 -0.76 2.10 -2.46 1.64 5.02 -1.26 -4.89 118.16 117.55 1g91 n LYS 46 Ca 0.12 -3.21 -0.19 0.00 -2.02 0.00 0.00 58.31 53.01 1g91 n LYS 46 Cb 0.06 -1.97 -0.01 0.00 -0.02 0.00 0.00 35.03 33.09 1g91 n LYS 46 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1g91 n GLY 47 N -1.10 -0.50 3.43 0.72 0.00 -1.20 -4.96 105.19 101.58 1g91 n GLY 47 Ca 0.43 0.01 -0.33 0.00 0.00 0.00 0.00 46.02 46.13 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 -5.09 2.98 0.08 1.61 6.06 -1.26 -4.96 118.95 118.37 1g91 s ARG 48 Ca 0.02 -0.68 0.05 0.00 -2.50 0.00 0.00 55.73 52.62 1g91 s ARG 48 Cb -0.01 -2.52 -0.03 0.00 0.06 0.00 0.00 34.95 32.45 1g91 s ARG 48 CO 0.03 0.41 -0.13 -0.98 -2.50 0.00 0.00 175.30 172.13 1g91 s ARG 49 N -0.17 0.82 -0.25 5.12 3.03 -1.26 0.50 118.95 126.74 1g91 s ARG 49 Ca -0.00 -0.99 -0.26 0.00 2.03 0.00 0.00 55.73 56.51 1g91 s ARG 49 Cb -0.13 -0.76 0.11 0.00 -1.03 0.00 0.00 34.95 33.13 1g91 s ARG 49 CO 0.03 0.16 0.94 -0.59 -1.13 0.00 0.00 175.30 174.71 1g91 s PHE 50 N -1.50 -0.55 0.58 5.89 -0.12 -0.73 -4.96 117.98 116.60 1g91 s PHE 50 Ca -0.01 1.27 -0.15 0.00 -0.05 0.00 0.00 56.93 57.99 1g91 s PHE 50 Cb -0.09 0.35 -0.05 0.00 -0.63 0.00 0.00 43.02 42.61 1g91 s PHE 50 CO 0.02 -0.30 1.03 0.00 -0.05 0.00 0.00 175.22 175.93 1g91 s ALA 52 N -2.58 0.83 0.14 0.00 0.00 0.36 -2.19 121.76 118.32 1g91 s ALA 52 Ca 0.61 -1.39 -0.30 0.00 0.00 0.00 0.00 51.96 50.88 1g91 s ALA 52 Cb -0.14 0.56 -0.07 0.00 0.00 0.00 0.00 23.12 23.47 1g91 s ALA 52 CO 0.37 -0.40 1.17 1.21 0.00 0.00 0.00 175.76 178.11 1g91 s ASN 53 N -3.03 7.14 0.00 0.00 3.84 -1.26 -2.38 114.94 119.25 1g91 s ASN 53 Ca 0.17 2.11 0.24 0.00 0.21 0.00 0.00 52.86 55.59 1g91 s ASN 53 Cb 0.07 -2.60 1.04 0.00 -0.55 0.00 0.00 41.25 39.22 1g91 s ASN 53 CO -0.02 -0.36 1.76 -0.81 -2.79 0.00 0.00 177.10 174.88 1g91 n PRO 54 N 2.97 0.07 0.00 0.43 -0.04 -1.26 -2.52 135.00 134.65 1g91 n PRO 54 Ca 0.05 0.09 0.12 0.00 -0.04 0.00 0.00 63.50 63.73 1g91 n PRO 54 Cb 0.46 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.67 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 -1.46 1.34 -4.70 3.54 7.64 -1.26 -4.77 113.62 113.95 1g91 n SER 55 Ca 0.07 -1.09 -0.42 0.00 1.01 0.00 0.00 58.87 58.44 1g91 n SER 55 Cb 0.26 0.25 -0.03 0.00 -1.01 0.00 0.00 64.21 63.68 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 -2.50 7.00 0.21 6.43 2.15 -1.05 -4.91 116.67 124.00 1g91 s ASP 56 Ca 0.22 1.99 -0.10 0.00 0.43 0.00 0.00 52.55 55.09 1g91 s ASP 56 Cb 0.19 -2.57 0.18 0.00 -0.30 0.00 0.00 42.92 40.42 1g91 s ASP 56 CO 0.54 -0.58 1.86 0.07 -0.17 0.00 0.00 175.17 176.89 1g91 h LYS 57 N 7.26 0.89 -0.27 4.34 2.10 -1.90 -0.70 116.57 128.30 1g91 h LYS 57 Ca -0.38 -0.05 0.07 0.00 -2.00 0.00 0.00 60.65 58.28 1g91 h LYS 57 Cb 1.19 -0.20 -0.01 0.00 -0.90 0.00 0.00 32.23 32.30 1g91 h LYS 57 CO 0.86 0.59 0.19 0.37 -2.00 0.00 0.00 179.45 179.46 1g91 h GLN 58 N 0.92 0.06 -0.16 0.07 4.15 -1.96 0.49 115.11 118.68 1g91 h GLN 58 Ca 0.28 -0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.56 1g91 h GLN 58 Cb -0.03 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.65 1g91 h GLN 58 CO -0.09 0.04 -0.44 0.28 -1.93 0.00 0.00 178.83 176.69 1g91 h VAL 59 N 0.06 1.34 -0.10 2.39 2.07 -1.44 -1.35 116.25 119.22 1g91 h VAL 59 Ca 0.13 -1.70 -0.10 0.00 0.82 0.00 0.00 66.70 65.85 1g91 h VAL 59 Cb 0.43 1.99 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 1g91 h VAL 59 CO -0.01 0.52 -0.37 1.56 0.02 0.00 0.00 177.57 179.29 1g91 h GLN 60 N 0.23 0.21 0.00 1.57 4.20 -0.79 -2.05 115.11 118.48 1g91 h GLN 60 Ca -0.01 -0.09 -0.14 0.00 0.06 0.00 0.00 58.65 58.47 1g91 h GLN 60 Cb 1.05 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.80 1g91 h GLN 60 CO 0.09 0.56 -0.67 0.28 -0.67 0.00 0.00 178.83 178.43 1g91 h VAL 61 N 0.18 1.39 -0.08 -0.54 2.07 -0.87 -3.13 116.25 115.26 1g91 h VAL 61 Ca 0.02 -2.36 -0.23 0.00 0.82 0.00 0.00 66.70 64.95 1g91 h VAL 61 Cb 0.75 2.30 0.01 0.00 -1.52 0.00 0.00 31.29 32.84 1g91 h VAL 61 CO 0.06 0.65 -0.86 0.00 0.02 0.00 0.00 177.57 177.44 1g91 h MET 63 N 0.43 0.00 0.00 0.00 3.00 -1.38 0.24 114.93 117.22 1g91 h MET 63 Ca -0.08 0.00 -0.17 0.00 0.00 0.00 0.00 59.70 59.45 1g91 h MET 63 Cb 1.50 0.00 -0.02 0.00 0.00 0.00 0.00 31.60 33.08 1g91 h MET 63 CO 0.17 0.03 -0.81 -0.09 0.00 0.00 0.00 176.91 176.21 1g91 h ARG 64 N 0.00 0.00 0.03 -0.10 9.65 -1.47 -3.35 114.38 119.14 1g91 h ARG 64 Ca -0.00 0.00 -0.30 0.00 -1.10 0.00 0.00 59.98 58.58 1g91 h ARG 64 Cb 0.14 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 28.69 1g91 h ARG 64 CO 0.00 0.81 -1.66 -0.12 2.80 0.00 0.00 179.97 181.81 1g91 n MET 65 N -3.44 0.62 -1.13 0.20 1.56 -0.40 -4.43 117.12 110.09 1g91 n MET 65 Ca 0.00 0.45 -0.35 0.00 -0.27 0.00 0.00 57.70 57.53 1g91 n MET 65 Cb 0.82 -1.69 -0.03 0.00 2.15 0.00 0.00 33.22 34.46 1g91 n MET 65 CO 0.00 0.00 0.00 1.28 -0.73 0.00 0.00 175.97 176.52 1g91 n LEU 66 N -4.14 5.66 0.00 -0.89 4.77 0.71 -4.91 117.00 118.19 1g91 n LEU 66 Ca -0.36 -3.36 -0.16 0.00 -0.03 0.00 0.00 56.01 52.10 1g91 n LEU 66 Cb 0.81 -1.28 0.14 0.00 -2.33 0.00 0.00 43.42 40.76 1g91 n LEU 66 CO 0.22 0.65 0.29 0.29 -1.33 0.00 0.00 177.39 177.51 1g91 n LYS 67 N 5.30 -2.44 -2.77 3.23 5.02 -1.26 -4.85 118.16 120.38 1g91 n LYS 67 Ca 0.53 -0.88 -0.43 0.00 -2.02 0.00 0.00 58.31 55.51 1g91 n LYS 67 Cb 0.28 -0.89 -0.03 0.00 -0.02 0.00 0.00 35.03 34.37 1g91 n LYS 67 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 1g91 s LEU 68 N 0.00 4.30 0.00 -0.35 2.34 -1.26 -4.94 118.68 118.77 1g91 s LEU 68 Ca 0.37 -1.56 0.00 0.00 0.06 0.00 0.00 54.13 53.00 1g91 s LEU 68 Cb -0.04 -2.47 0.00 0.00 -0.56 0.00 0.00 46.19 43.12 1g91 s LEU 68 CO 0.29 -1.33 0.00 -0.90 -1.06 0.00 0.00 176.35 173.35 1g91 n ASP 69 N 7.71 0.00 0.00 1.48 5.68 -1.26 -4.95 116.55 125.21 1g91 n ASP 69 Ca 0.21 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.50 1g91 n ASP 69 Cb 0.49 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.47 1g91 n ASP 69 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 1g91 n THR 70 N 0.00 0.00 -1.11 2.12 5.66 -1.26 -5.04 114.28 114.65 1g91 n THR 70 Ca 0.00 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.67 1g91 n THR 70 Cb 0.00 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.76 1g91 n THR 70 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1g91 n ARG 71 N 0.00 2.63 -2.15 1.09 1.74 -1.26 -4.43 116.66 114.28 1g91 n ARG 71 Ca 0.00 -1.90 -0.23 0.00 -0.77 0.00 0.00 57.85 54.95 1g91 n ARG 71 Cb 0.00 -2.74 0.02 0.00 -1.02 0.00 0.00 32.46 28.72 1g91 n ARG 71 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 1g91 n ILE 72 N 4.38 2.41 -1.19 0.55 -5.35 -1.26 -4.69 119.36 114.20 1g91 n ILE 72 Ca 0.57 -4.23 0.06 0.00 -0.27 0.00 0.00 62.75 58.89 1g91 n ILE 72 Cb 0.24 -0.98 0.20 0.00 -1.74 0.00 0.00 39.64 37.35 1g91 n ILE 72 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1g91 n LYS 73 N -0.66 1.92 0.00 6.28 4.81 -1.26 -4.98 118.16 124.26 1g91 n LYS 73 Ca 0.40 -2.87 0.00 0.00 -0.87 0.00 0.00 58.31 54.97 1g91 n LYS 73 Cb 0.91 -1.68 0.00 0.00 0.02 0.00 0.00 35.03 34.28 1g91 n LYS 73 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1g91 n THR 74 N -1.06 0.00 -3.65 3.15 -1.04 -1.26 -4.60 114.28 105.82 1g91 n THR 74 Ca 0.21 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 62.18 1g91 n THR 74 Cb 0.79 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 69.23 1g91 n THR 74 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1g91 s ARG 75 N 0.00 0.12 0.00 -2.82 3.52 -1.26 -5.06 118.95 113.44 1g91 s ARG 75 Ca 0.00 0.14 0.00 0.00 -0.13 0.00 0.00 55.73 55.74 1g91 s ARG 75 Cb 0.00 0.06 0.00 0.00 -1.56 0.00 0.00 34.95 33.45 1g91 s ARG 75 CO 0.00 -0.01 0.00 1.17 -0.81 0.00 0.00 175.30 175.65 1g91 n LYS 76 N 1.65 0.00 0.00 5.12 4.81 -1.26 -5.19 118.16 123.29 1g91 n LYS 76 Ca -0.10 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.34 1g91 n LYS 76 Cb 0.57 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.62 1g91 n LYS 76 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84