#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 5.48 -1.24 6.12 -1.08 -1.26 -4.89 116.67 119.80 1g91 s ASP 2 Ca 0.00 -0.12 -0.20 0.00 -0.52 0.00 0.00 52.55 51.71 1g91 s ASP 2 Cb 0.00 -2.54 0.03 0.00 -1.46 0.00 0.00 42.92 38.95 1g91 s ASP 2 CO 0.00 -2.30 1.75 -0.13 0.52 0.00 0.00 175.17 175.01 1g91 s ARG 3 N 6.67 3.62 0.00 4.34 0.52 -1.26 -4.07 118.95 128.77 1g91 s ARG 3 Ca 0.61 -1.70 0.00 0.00 -0.52 0.00 0.00 55.73 54.12 1g91 s ARG 3 Cb -0.10 -5.45 0.00 0.00 0.52 0.00 0.00 34.95 29.92 1g91 s ARG 3 CO 0.13 -2.62 0.00 0.34 0.02 0.00 0.00 175.30 173.17 1g91 n PHE 4 N 9.77 -0.02 -0.02 -0.53 7.35 -1.26 -4.93 117.46 127.82 1g91 n PHE 4 Ca 0.46 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 57.15 1g91 n PHE 4 Cb 0.47 0.01 -0.06 0.00 0.35 0.00 0.00 39.48 40.24 1g91 n PHE 4 CO 0.00 0.00 0.00 0.72 -0.76 0.00 0.00 176.76 176.72 1g91 n HIS 5 N -1.52 0.00 -1.90 -5.13 8.25 -1.26 -4.72 115.22 108.95 1g91 n HIS 5 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.05 1g91 n HIS 5 Cb 0.00 -0.29 -0.01 0.00 1.12 0.00 0.00 29.99 30.82 1g91 n HIS 5 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1g91 n ALA 6 N -2.05 6.13 -0.11 -1.41 0.00 -1.26 -4.50 120.51 117.32 1g91 n ALA 6 Ca -0.07 -4.00 -0.23 0.00 0.00 0.00 0.00 53.44 49.15 1g91 n ALA 6 Cb 0.49 -3.18 -0.12 0.00 0.00 0.00 0.00 19.45 16.65 1g91 n ALA 6 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1g91 n THR 7 N 3.56 1.56 -0.23 0.00 5.66 -1.26 -4.27 114.28 119.30 1g91 n THR 7 Ca 0.55 -0.47 -0.09 0.00 -3.05 0.00 0.00 64.05 60.99 1g91 n THR 7 Cb 0.32 -1.68 0.13 0.00 -1.55 0.00 0.00 70.33 67.56 1g91 n THR 7 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1g91 n SER 8 N -3.72 3.50 -4.73 1.09 7.64 -1.26 -4.91 113.62 111.23 1g91 n SER 8 Ca -0.45 -2.82 -0.40 0.00 1.01 0.00 0.00 58.87 56.21 1g91 n SER 8 Cb 0.94 -0.67 -0.05 0.00 -1.01 0.00 0.00 64.21 63.42 1g91 n SER 8 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1g91 s ALA 9 N -1.91 3.32 -0.43 -0.43 0.00 -1.26 -5.00 121.76 116.05 1g91 s ALA 9 Ca 0.32 0.31 0.07 0.00 0.00 0.00 0.00 51.96 52.66 1g91 s ALA 9 Cb 0.27 -3.06 0.23 0.00 0.00 0.00 0.00 23.12 20.56 1g91 s ALA 9 CO 0.07 -0.02 0.50 -3.47 0.00 0.00 0.00 175.76 172.84 1g91 n ASP 10 N 3.19 0.46 -4.98 0.00 -0.08 -1.26 -5.11 116.55 108.77 1g91 n ASP 10 Ca -0.01 -2.71 -0.20 0.00 -1.51 0.00 0.00 54.79 50.36 1g91 n ASP 10 Cb 0.50 -0.63 0.07 0.00 2.34 0.00 0.00 41.12 43.41 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 3.05 0.00 -3.57 0.00 -0.00 -1.26 -4.96 119.36 112.61 1g91 n ILE 13 Ca -0.18 -0.27 -0.09 0.00 -0.00 0.00 0.00 62.75 62.22 1g91 n ILE 13 Cb 0.53 0.48 -0.02 0.00 -0.00 0.00 0.00 39.64 40.63 1g91 n ILE 13 CO 0.00 0.00 0.00 -0.94 -0.00 0.00 0.00 176.55 175.61 1g91 s SER 14 N -3.61 -0.39 0.05 4.38 1.04 -1.26 -5.16 113.70 108.74 1g91 s SER 14 Ca -0.01 -0.16 0.01 0.00 0.48 0.00 0.00 55.95 56.28 1g91 s SER 14 Cb 0.14 0.53 -0.04 0.00 0.10 0.00 0.00 66.02 66.74 1g91 s SER 14 CO 0.81 -0.90 0.09 -0.31 0.98 0.00 0.00 173.24 173.91 1g91 s TYR 15 N -3.49 3.25 -0.24 5.02 2.02 -1.26 -4.49 117.35 118.16 1g91 s TYR 15 Ca 0.06 0.14 -0.29 0.00 -0.37 0.00 0.00 57.07 56.61 1g91 s TYR 15 Cb -0.02 -1.68 -0.03 0.00 -0.40 0.00 0.00 41.96 39.84 1g91 s TYR 15 CO -0.06 0.54 1.71 -0.08 -1.57 0.00 0.00 175.55 176.08 1g91 s THR 16 N -1.32 3.57 -1.31 -0.71 -1.32 -1.03 -4.89 115.64 108.64 1g91 s THR 16 Ca 0.27 0.63 -0.17 0.00 -1.21 0.00 0.00 61.69 61.22 1g91 s THR 16 Cb -0.12 -3.63 0.02 0.00 -1.51 0.00 0.00 72.50 67.25 1g91 s THR 16 CO 0.19 -0.30 2.02 -0.81 -2.21 0.00 0.00 174.62 173.51 1g91 n PRO 17 N 7.92 2.70 -3.65 7.08 -0.04 -1.26 -4.83 135.00 142.91 1g91 n PRO 17 Ca 0.20 -2.71 -0.05 0.00 -0.04 0.00 0.00 63.50 60.90 1g91 n PRO 17 Cb 0.45 -3.34 -0.07 0.00 -0.04 0.00 0.00 33.50 30.51 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 3.97 0.56 -0.68 0.54 0.52 -1.26 -5.09 118.95 117.52 1g91 s ARG 18 Ca 0.52 1.23 -0.26 0.00 -0.52 0.00 0.00 55.73 56.70 1g91 s ARG 18 Cb 0.10 0.41 -0.05 0.00 0.52 0.00 0.00 34.95 35.94 1g91 s ARG 18 CO 0.00 -0.18 2.02 -1.12 0.02 0.00 0.00 175.30 176.04 1g91 s SER 19 N 2.21 4.99 -0.15 0.23 0.01 -1.26 -4.94 113.70 114.79 1g91 s SER 19 Ca -0.07 0.17 -0.08 0.00 1.31 0.00 0.00 55.95 57.28 1g91 s SER 19 Cb -0.09 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.56 1g91 s SER 19 CO -0.18 -2.68 0.13 -0.63 0.41 0.00 0.00 173.24 170.29 1g91 s ILE 20 N 10.31 5.40 0.52 1.44 1.01 -1.26 -5.08 121.20 133.54 1g91 s ILE 20 Ca 0.75 0.17 -0.17 0.00 0.00 0.00 0.00 60.65 61.40 1g91 s ILE 20 Cb -0.12 -3.39 -0.07 0.00 0.01 0.00 0.00 42.46 38.89 1g91 s ILE 20 CO 0.15 0.55 1.00 -2.16 0.00 0.00 0.00 174.94 174.48 1g91 s PRO 21 N -0.51 3.85 0.47 2.79 0.04 -1.26 -4.95 135.00 135.43 1g91 s PRO 21 Ca 0.12 1.05 0.31 0.00 0.04 0.00 0.00 61.00 62.52 1g91 s PRO 21 Cb -0.12 -2.12 1.29 0.00 0.04 0.00 0.00 34.50 33.59 1g91 s PRO 21 CO 0.02 -0.36 1.92 0.00 0.04 0.00 0.00 177.00 178.61 1g91 n SER 23 N -2.84 0.67 -1.66 0.00 3.41 -1.26 -2.07 113.62 109.87 1g91 n SER 23 Ca 0.01 0.68 -0.11 0.00 -0.26 0.00 0.00 58.87 59.19 1g91 n SER 23 Cb 0.27 -0.81 0.21 0.00 -0.26 0.00 0.00 64.21 63.63 1g91 n SER 23 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1g91 n LEU 24 N -2.25 5.37 -4.24 1.04 4.32 -0.85 -4.95 117.00 115.44 1g91 n LEU 24 Ca 0.02 -3.57 -0.25 0.00 -0.02 0.00 0.00 56.01 52.19 1g91 n LEU 24 Cb 0.21 -0.72 -0.14 0.00 -1.62 0.00 0.00 43.42 41.15 1g91 n LEU 24 CO 0.19 1.07 -0.52 -0.76 -1.22 0.00 0.00 177.39 176.15 1g91 s LEU 25 N -3.19 2.16 -0.06 2.23 1.43 -0.88 -3.73 118.68 116.64 1g91 s LEU 25 Ca 0.51 -0.51 0.07 0.00 -1.03 0.00 0.00 54.13 53.16 1g91 s LEU 25 Cb 0.43 -0.95 -0.10 0.00 0.03 0.00 0.00 46.19 45.60 1g91 s LEU 25 CO 0.07 0.15 0.06 1.21 0.23 0.00 0.00 176.35 178.07 1g91 n GLU 26 N 1.88 2.24 -2.43 1.70 2.13 0.14 -4.75 120.64 121.54 1g91 n GLU 26 Ca -0.17 -0.02 0.00 0.00 0.66 0.00 0.00 57.16 57.63 1g91 n GLU 26 Cb 0.53 -1.20 0.00 0.00 0.27 0.00 0.00 31.44 31.05 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 -2.18 -0.41 -3.64 4.31 7.64 -1.19 -5.00 113.62 113.15 1g91 n SER 27 Ca -0.10 -1.13 -0.06 0.00 1.01 0.00 0.00 58.87 58.59 1g91 n SER 27 Cb 0.64 0.64 -0.02 0.00 -1.01 0.00 0.00 64.21 64.46 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 -3.26 -0.24 0.30 1.43 1.13 -1.26 0.17 117.35 115.63 1g91 s TYR 28 Ca 0.09 -0.00 -0.12 0.00 -1.41 0.00 0.00 57.07 55.63 1g91 s TYR 28 Cb -0.00 0.60 0.01 0.00 -1.10 0.00 0.00 41.96 41.47 1g91 s TYR 28 CO 0.00 -0.74 0.57 -0.59 -2.51 0.00 0.00 175.55 172.28 1g91 s PHE 29 N -3.29 0.42 -0.06 -3.49 -0.71 0.74 -4.94 117.98 106.66 1g91 s PHE 29 Ca 0.09 -0.82 -0.06 0.00 -1.04 0.00 0.00 56.93 55.10 1g91 s PHE 29 Cb -0.01 0.32 -0.04 0.00 -1.21 0.00 0.00 43.02 42.07 1g91 s PHE 29 CO -0.03 -1.17 0.18 -1.21 -1.34 0.00 0.00 175.22 171.65 1g91 s GLU 30 N -3.43 3.47 1.05 1.99 2.02 -1.26 0.22 118.70 122.76 1g91 s GLU 30 Ca 0.22 -0.18 -0.18 0.00 0.02 0.00 0.00 54.97 54.85 1g91 s GLU 30 Cb -0.02 -3.14 0.25 0.00 0.10 0.00 0.00 34.13 31.32 1g91 s GLU 30 CO 0.12 0.72 1.18 0.25 0.02 0.00 0.00 175.26 177.55 1g91 n THR 31 N 1.45 0.00 -1.72 3.63 -2.24 -1.04 -4.84 114.28 109.52 1g91 n THR 31 Ca -0.15 -0.73 -0.30 0.00 -2.27 0.00 0.00 64.05 60.61 1g91 n THR 31 Cb 0.54 -1.39 -0.04 0.00 -2.10 0.00 0.00 70.33 67.33 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 -5.08 4.55 0.61 3.42 0.01 -1.26 -4.75 114.94 112.45 1g91 s ASN 32 Ca 0.71 0.44 0.26 0.00 -0.71 0.00 0.00 52.86 53.55 1g91 s ASN 32 Cb -0.04 -2.53 1.20 0.00 0.41 0.00 0.00 41.25 40.29 1g91 s ASN 32 CO 0.52 -3.02 1.64 -1.28 -1.51 0.00 0.00 177.10 173.45 1g91 h SER 33 N 15.84 0.00 -1.33 -1.22 0.87 -1.96 0.83 113.55 126.58 1g91 h SER 33 Ca -0.14 0.00 0.39 0.00 -1.23 0.00 0.00 61.79 60.81 1g91 h SER 33 Cb 1.15 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.05 1g91 h SER 33 CO 1.14 0.00 1.02 -0.33 -0.53 0.00 0.00 176.83 178.13 1g91 h GLU 34 N 0.00 0.00 -6.89 2.24 5.08 -2.02 -3.39 114.58 109.60 1g91 h GLU 34 Ca 0.24 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 58.09 1g91 h GLU 34 Cb 1.69 0.00 0.04 0.00 0.50 0.00 0.00 28.75 30.97 1g91 h GLU 34 CO -0.00 0.00 0.50 0.00 -1.00 0.00 0.00 179.01 178.51 1g91 h SER 36 N 3.14 0.32 -3.53 0.00 0.87 -1.90 -3.30 113.55 109.15 1g91 h SER 36 Ca -0.48 -0.02 -0.62 0.00 -1.23 0.00 0.00 61.79 59.44 1g91 h SER 36 Cb 1.22 -0.08 -0.41 0.00 -0.44 0.00 0.00 62.40 62.69 1g91 h SER 36 CO 0.64 0.26 -0.67 -0.54 -0.53 0.00 0.00 176.83 175.99 1g91 s LYS 37 N -5.29 1.86 0.00 2.24 -0.14 -1.26 -5.09 119.74 112.06 1g91 s LYS 37 Ca -0.07 -2.66 0.00 0.00 -1.36 0.00 0.00 55.97 51.88 1g91 s LYS 37 Cb 0.17 -2.92 0.00 0.00 -1.68 0.00 0.00 37.83 33.40 1g91 s LYS 37 CO 0.72 -1.21 0.00 -0.35 -0.76 0.00 0.00 175.35 173.75 1g91 n PRO 38 N 2.81 -0.09 -3.68 -1.68 -0.04 -1.25 -4.74 135.00 126.34 1g91 n PRO 38 Ca 0.13 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.58 1g91 n PRO 38 Cb 0.35 0.00 0.02 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 4.50 0.56 3.69 0.55 0.00 -1.26 -4.97 105.19 108.26 1g91 n GLY 39 Ca 0.00 -1.10 -0.34 0.00 0.00 0.00 0.00 46.02 44.57 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 -2.09 4.31 -0.21 1.61 1.01 -0.99 -2.49 120.40 121.55 1g91 s VAL 40 Ca 0.22 -0.31 -0.06 0.00 0.00 0.00 0.00 61.98 61.83 1g91 s VAL 40 Cb -0.02 -2.84 -0.03 0.00 0.00 0.00 0.00 36.38 33.50 1g91 s VAL 40 CO 0.04 0.56 0.02 -0.63 0.00 0.00 0.00 175.10 175.08 1g91 s ILE 41 N -0.93 4.08 -0.15 2.22 -1.09 0.13 0.12 121.20 125.57 1g91 s ILE 41 Ca 0.15 -0.27 -0.03 0.00 -2.23 0.00 0.00 60.65 58.27 1g91 s ILE 41 Cb -0.11 -2.86 -0.02 0.00 -1.58 0.00 0.00 42.46 37.88 1g91 s ILE 41 CO 0.04 0.41 -0.06 -0.36 -1.23 0.00 0.00 174.94 173.75 1g91 s PHE 42 N 1.09 2.98 -0.03 3.97 0.08 -0.97 -0.18 117.98 124.92 1g91 s PHE 42 Ca 0.03 -0.41 -0.03 0.00 0.12 0.00 0.00 56.93 56.64 1g91 s PHE 42 Cb -0.14 -1.95 -0.04 0.00 -0.57 0.00 0.00 43.02 40.32 1g91 s PHE 42 CO 0.02 -0.11 0.17 -1.17 -0.10 0.00 0.00 175.22 174.03 1g91 s LEU 43 N 0.44 4.33 0.55 -0.37 2.96 0.13 -2.37 118.68 124.34 1g91 s LEU 43 Ca -0.05 0.35 0.08 0.00 -0.22 0.00 0.00 54.13 54.28 1g91 s LEU 43 Cb -0.15 -2.49 0.06 0.00 0.50 0.00 0.00 46.19 44.11 1g91 s LEU 43 CO 0.03 0.29 0.58 0.42 -1.32 0.00 0.00 176.35 176.36 1g91 s THR 44 N -1.26 1.93 -2.00 3.68 -4.23 0.14 0.23 115.64 114.13 1g91 s THR 44 Ca 0.25 -1.25 0.20 0.00 -1.18 0.00 0.00 61.69 59.70 1g91 s THR 44 Cb -0.12 -2.19 0.56 0.00 1.34 0.00 0.00 72.50 72.08 1g91 s THR 44 CO 0.16 0.00 1.68 1.17 -0.54 0.00 0.00 174.62 177.09 1g91 n LYS 45 N -1.98 0.89 -1.01 3.99 4.81 -1.24 -3.10 118.16 120.52 1g91 n LYS 45 Ca 0.07 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.38 1g91 n LYS 45 Cb 0.63 -1.34 0.18 0.00 0.02 0.00 0.00 35.03 34.52 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 -0.84 2.05 -2.23 1.64 5.02 -1.26 -4.89 118.16 117.65 1g91 n LYS 46 Ca 0.15 -3.16 -0.15 0.00 -2.02 0.00 0.00 58.31 53.12 1g91 n LYS 46 Cb 0.07 -1.97 -0.02 0.00 -0.02 0.00 0.00 35.03 33.08 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 -1.12 -0.10 3.59 0.72 0.00 -1.18 -4.94 105.19 102.17 1g91 n GLY 47 Ca 0.44 0.00 -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 0.50 0.00 0.00 0.00 173.32 173.82 1g91 s ARG 48 N -4.68 2.66 -0.01 1.61 0.52 -1.26 -4.94 118.95 112.84 1g91 s ARG 48 Ca 0.00 -0.63 0.01 0.00 -0.52 0.00 0.00 55.73 54.59 1g91 s ARG 48 Cb 0.00 -2.55 0.01 0.00 0.52 0.00 0.00 34.95 32.92 1g91 s ARG 48 CO 0.00 0.63 -0.03 -0.98 0.02 0.00 0.00 175.30 174.94 1g91 s ARG 49 N -1.14 0.38 0.07 3.54 1.70 -1.26 0.28 118.95 122.53 1g91 s ARG 49 Ca 0.15 -0.09 0.01 0.00 -0.47 0.00 0.00 55.73 55.33 1g91 s ARG 49 Cb -0.11 -0.42 -0.04 0.00 -0.57 0.00 0.00 34.95 33.82 1g91 s ARG 49 CO 0.05 0.02 -0.06 -0.59 -1.08 0.00 0.00 175.30 173.63 1g91 s PHE 50 N 0.27 0.75 0.37 5.89 -0.12 -1.00 -4.96 117.98 119.19 1g91 s PHE 50 Ca -0.03 -0.80 -0.27 0.00 -0.05 0.00 0.00 56.93 55.78 1g91 s PHE 50 Cb -0.06 -0.45 -0.09 0.00 -0.63 0.00 0.00 43.02 41.79 1g91 s PHE 50 CO -0.00 -0.16 1.20 0.00 -0.05 0.00 0.00 175.22 176.20 1g91 s ALA 52 N -1.31 1.83 0.06 0.00 0.00 0.32 -2.47 121.76 120.18 1g91 s ALA 52 Ca 0.54 -1.63 -0.21 0.00 0.00 0.00 0.00 51.96 50.65 1g91 s ALA 52 Cb -0.33 0.04 -0.06 0.00 0.00 0.00 0.00 23.12 22.77 1g91 s ALA 52 CO 0.43 -0.03 0.63 1.21 0.00 0.00 0.00 175.76 177.99 1g91 s ASN 53 N -3.27 7.10 0.24 0.00 3.84 -1.26 -2.36 114.94 119.23 1g91 s ASN 53 Ca 0.22 1.31 0.25 0.00 0.21 0.00 0.00 52.86 54.85 1g91 s ASN 53 Cb 0.01 -2.40 0.88 0.00 -0.55 0.00 0.00 41.25 39.20 1g91 s ASN 53 CO 0.05 0.18 1.75 -0.81 -2.79 0.00 0.00 177.10 175.48 1g91 n PRO 54 N 2.17 0.24 -0.08 0.43 -0.04 -1.26 -2.52 135.00 133.94 1g91 n PRO 54 Ca -0.07 0.31 0.12 0.00 -0.04 0.00 0.00 63.50 63.81 1g91 n PRO 54 Cb 0.50 -1.85 0.25 0.00 -0.04 0.00 0.00 33.50 32.37 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 -2.29 2.71 -4.63 3.54 7.64 -1.26 -4.69 113.62 114.65 1g91 n SER 55 Ca 0.04 -1.87 -0.43 0.00 1.01 0.00 0.00 58.87 57.62 1g91 n SER 55 Cb 0.35 -0.10 -0.02 0.00 -1.01 0.00 0.00 64.21 63.42 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 -1.75 6.45 0.35 6.43 -1.08 -1.05 -4.86 116.67 121.16 1g91 s ASP 56 Ca 0.34 1.41 0.13 0.00 -0.52 0.00 0.00 52.55 53.91 1g91 s ASP 56 Cb 0.21 -2.53 0.95 0.00 -1.46 0.00 0.00 42.92 40.09 1g91 s ASP 56 CO 0.30 -1.23 1.76 0.11 0.52 0.00 0.00 175.17 176.63 1g91 h LYS 57 N 10.34 0.52 0.00 4.34 1.57 -1.90 1.03 116.57 132.46 1g91 h LYS 57 Ca -0.31 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.40 1g91 h LYS 57 Cb 1.13 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.32 1g91 h LYS 57 CO 1.02 0.34 -0.22 0.37 -0.57 0.00 0.00 179.45 180.40 1g91 h GLN 58 N 0.53 0.00 0.07 3.15 5.75 -1.96 0.16 115.11 122.81 1g91 h GLN 58 Ca 0.61 0.00 -0.13 0.00 -0.15 0.00 0.00 58.65 58.98 1g91 h GLN 58 Cb 1.29 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.85 1g91 h GLN 58 CO -0.38 0.22 -0.56 0.28 -2.65 0.00 0.00 178.83 175.73 1g91 h VAL 59 N 0.00 1.54 0.00 2.39 2.07 0.75 -2.08 116.25 120.92 1g91 h VAL 59 Ca -0.00 -2.31 -0.12 0.00 0.82 0.00 0.00 66.70 65.09 1g91 h VAL 59 Cb 0.54 3.02 -0.02 0.00 -1.52 0.00 0.00 31.29 33.31 1g91 h VAL 59 CO 0.03 0.65 -0.58 0.06 0.02 0.00 0.00 177.57 177.75 1g91 h GLN 60 N -0.42 0.00 -0.00 1.57 3.07 -1.10 -0.10 115.11 118.13 1g91 h GLN 60 Ca -0.09 0.00 -0.16 0.00 0.09 0.00 0.00 58.65 58.49 1g91 h GLN 60 Cb 1.37 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.91 1g91 h GLN 60 CO 0.11 0.58 -0.77 0.28 0.09 0.00 0.00 178.83 179.11 1g91 h VAL 61 N 0.00 1.53 0.13 1.86 2.07 -0.74 -3.09 116.25 118.01 1g91 h VAL 61 Ca -0.01 -2.58 -0.24 0.00 0.82 0.00 0.00 66.70 64.69 1g91 h VAL 61 Cb 1.07 2.40 0.01 0.00 -1.52 0.00 0.00 31.29 33.24 1g91 h VAL 61 CO 0.08 0.74 -1.15 0.00 0.02 0.00 0.00 177.57 177.26 1g91 h MET 63 N -0.33 0.00 -0.62 0.00 -0.00 -1.08 0.21 114.93 113.10 1g91 h MET 63 Ca -0.23 0.00 -0.08 0.00 -0.00 0.00 0.00 59.70 59.39 1g91 h MET 63 Cb 1.71 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 33.29 1g91 h MET 63 CO 0.10 0.00 0.07 -0.09 -0.00 0.00 0.00 176.91 177.00 1g91 h ARG 64 N 0.00 1.04 0.15 -0.10 1.12 -1.60 0.68 114.38 115.66 1g91 h ARG 64 Ca 0.28 -0.28 -0.22 0.00 -1.11 0.00 0.00 59.98 58.65 1g91 h ARG 64 Cb 1.18 -0.12 0.02 0.00 -0.01 0.00 0.00 29.97 31.03 1g91 h ARG 64 CO -0.00 0.97 -1.03 1.98 -3.11 0.00 0.00 179.97 178.78 1g91 h MET 65 N 0.97 0.31 0.00 0.20 4.05 -0.83 -3.29 114.93 116.34 1g91 h MET 65 Ca 0.19 -0.53 -0.06 0.00 -0.28 0.00 0.00 59.70 59.01 1g91 h MET 65 Cb 0.46 0.20 -0.01 0.00 -0.80 0.00 0.00 31.60 31.44 1g91 h MET 65 CO 0.02 1.25 -0.30 -0.07 0.23 0.00 0.00 176.91 178.04 1g91 h LEU 66 N -0.30 0.00 -1.35 3.39 3.38 -0.84 -2.27 115.31 117.31 1g91 h LEU 66 Ca -0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1g91 h LEU 66 Cb 1.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.48 1g91 h LEU 66 CO 0.14 0.30 0.00 0.50 0.09 0.00 0.00 178.44 179.47 1g91 h LYS 67 N 0.00 0.00 -5.83 1.13 3.64 0.31 -3.37 116.57 112.46 1g91 h LYS 67 Ca -0.00 0.00 -0.51 0.00 -1.27 0.00 0.00 60.65 58.86 1g91 h LYS 67 Cb 0.71 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.46 1g91 h LYS 67 CO 0.04 0.00 1.49 -0.51 -2.27 0.00 0.00 179.45 178.20 1g91 s LEU 68 N -4.89 3.45 -1.30 5.20 1.43 -0.86 -4.86 118.68 116.85 1g91 s LEU 68 Ca 0.00 -1.66 -0.11 0.00 -1.03 0.00 0.00 54.13 51.33 1g91 s LEU 68 Cb 0.08 -2.58 0.15 0.00 0.03 0.00 0.00 46.19 43.87 1g91 s LEU 68 CO 0.34 -1.96 1.86 -0.67 0.23 0.00 0.00 176.35 176.15 1g91 n ASP 69 N 10.82 4.92 -3.56 2.29 -0.08 -1.26 -4.81 116.55 124.86 1g91 n ASP 69 Ca 0.42 -3.04 -0.29 0.00 -1.51 0.00 0.00 54.79 50.37 1g91 n ASP 69 Cb 0.48 -1.53 -0.12 0.00 2.34 0.00 0.00 41.12 42.29 1g91 n ASP 69 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1g91 s THR 70 N 1.11 0.83 -0.34 5.18 2.01 -1.26 -4.90 115.64 118.27 1g91 s THR 70 Ca 0.42 -2.42 -0.01 0.00 0.31 0.00 0.00 61.69 59.99 1g91 s THR 70 Cb 0.08 -1.58 -0.01 0.00 0.01 0.00 0.00 72.50 71.00 1g91 s THR 70 CO -0.01 -1.02 0.31 -1.14 -0.69 0.00 0.00 174.62 172.07 1g91 n ARG 71 N 3.43 -0.68 -3.58 4.92 3.00 -1.26 -5.01 116.66 117.48 1g91 n ARG 71 Ca 0.16 0.61 -0.27 0.00 -0.00 0.00 0.00 57.85 58.35 1g91 n ARG 71 Cb 0.39 -3.14 -0.10 0.00 0.00 0.00 0.00 32.46 29.61 1g91 n ARG 71 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 1g91 n ILE 72 N -1.72 1.60 -2.75 5.15 2.08 -1.26 -4.88 119.36 117.58 1g91 n ILE 72 Ca -0.01 -4.87 -0.10 0.00 0.56 0.00 0.00 62.75 58.33 1g91 n ILE 72 Cb 0.52 -2.09 0.03 0.00 -0.75 0.00 0.00 39.64 37.35 1g91 n ILE 72 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 1g91 n LYS 73 N 1.45 1.12 -3.11 0.38 4.81 -1.26 -4.95 118.16 116.59 1g91 n LYS 73 Ca 0.25 -3.13 -0.23 0.00 -0.87 0.00 0.00 58.31 54.33 1g91 n LYS 73 Cb 0.40 -1.21 -0.04 0.00 0.02 0.00 0.00 35.03 34.20 1g91 n LYS 73 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 1g91 n THR 74 N -0.04 1.33 -2.73 3.15 5.66 -1.26 -4.92 114.28 115.47 1g91 n THR 74 Ca 0.10 -4.99 -0.06 0.00 -3.05 0.00 0.00 64.05 56.05 1g91 n THR 74 Cb 0.79 -1.06 0.04 0.00 -1.55 0.00 0.00 70.33 68.55 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 0.24 0.53 0.00 1.09 0.63 -1.26 -4.99 116.66 112.90 1g91 n ARG 75 Ca 0.27 -1.52 0.00 0.00 -0.92 0.00 0.00 57.85 55.69 1g91 n ARG 75 Cb 0.51 -1.07 0.00 0.00 0.45 0.00 0.00 32.46 32.35 1g91 n ARG 75 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1g91 n LYS 76 N 2.04 0.00 0.00 -0.14 4.81 -1.26 -5.18 118.16 118.43 1g91 n LYS 76 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.54 1g91 n LYS 76 Cb 0.63 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.68 1g91 n LYS 76 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66