#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 6.43 1.06 7.83 2.15 -1.26 -5.09 116.67 127.78 1g91 s ASP 2 Ca 0.00 0.43 -0.03 0.00 0.43 0.00 0.00 52.55 53.37 1g91 s ASP 2 Cb 0.00 -2.03 0.05 0.00 -0.30 0.00 0.00 42.92 40.64 1g91 s ASP 2 CO 0.00 0.17 0.14 0.54 -0.17 0.00 0.00 175.17 175.85 1g91 n ARG 3 N 0.51 -2.07 -3.08 4.34 5.12 -1.26 -4.97 116.66 115.24 1g91 n ARG 3 Ca -0.06 -0.22 -0.25 0.00 -1.93 0.00 0.00 57.85 55.38 1g91 n ARG 3 Cb 0.52 -0.26 -0.05 0.00 -1.16 0.00 0.00 32.46 31.51 1g91 n ARG 3 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1g91 n PHE 4 N -3.23 3.05 -1.69 -1.55 7.35 -1.26 -5.08 117.46 115.05 1g91 n PHE 4 Ca 0.02 -3.97 -0.08 0.00 -0.76 0.00 0.00 57.45 52.65 1g91 n PHE 4 Cb 0.09 -0.48 0.05 0.00 0.35 0.00 0.00 39.48 39.49 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 0.13 -3.72 -2.97 -5.13 8.25 -1.26 -5.09 115.22 105.44 1g91 n HIS 5 Ca 0.29 -0.44 -0.18 0.00 -0.26 0.00 0.00 57.72 57.13 1g91 n HIS 5 Cb 0.45 -0.29 0.03 0.00 1.12 0.00 0.00 29.99 31.30 1g91 n HIS 5 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1g91 s ALA 6 N -3.58 4.48 0.00 -1.41 0.00 -1.26 -5.13 121.76 114.86 1g91 s ALA 6 Ca 0.23 -1.73 0.00 0.00 0.00 0.00 0.00 51.96 50.46 1g91 s ALA 6 Cb -0.01 -1.65 0.00 0.00 0.00 0.00 0.00 23.12 21.46 1g91 s ALA 6 CO 0.16 -0.47 0.00 0.25 0.00 0.00 0.00 175.76 175.69 1g91 n THR 7 N -2.00 0.00 -0.09 0.00 -2.24 -1.26 -5.06 114.28 103.63 1g91 n THR 7 Ca 0.10 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.77 1g91 n THR 7 Cb 0.60 -0.59 -0.14 0.00 -2.10 0.00 0.00 70.33 68.10 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 0.00 0.81 -2.18 3.42 3.41 -1.26 -4.99 113.62 112.83 1g91 n SER 8 Ca 0.00 -0.02 -0.02 0.00 -0.26 0.00 0.00 58.87 58.57 1g91 n SER 8 Cb 0.00 0.72 0.01 0.00 -0.26 0.00 0.00 64.21 64.68 1g91 n SER 8 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1g91 n ALA 9 N -2.76 0.00 -3.00 7.33 0.00 -1.26 -5.13 120.51 115.70 1g91 n ALA 9 Ca -0.32 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 52.98 1g91 n ALA 9 Cb 1.06 0.02 0.00 0.00 0.00 0.00 0.00 19.45 20.54 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 -3.00 0.00 -3.60 0.00 2.03 -1.26 -5.13 116.55 105.59 1g91 n ASP 10 Ca 0.01 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.18 1g91 n ASP 10 Cb 0.04 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.45 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 4.14 0.05 -3.83 0.00 3.06 -1.26 -4.86 119.36 116.65 1g91 n ILE 13 Ca -0.07 -0.43 -0.10 0.00 -2.50 0.00 0.00 62.75 59.66 1g91 n ILE 13 Cb 0.51 0.11 -0.07 0.00 0.54 0.00 0.00 39.64 40.73 1g91 n ILE 13 CO 0.00 0.00 0.00 -0.44 -2.50 0.00 0.00 176.55 173.61 1g91 s SER 14 N -4.36 0.06 0.23 9.51 0.01 -1.26 -5.17 113.70 112.72 1g91 s SER 14 Ca -0.05 -0.51 0.09 0.00 1.31 0.00 0.00 55.95 56.79 1g91 s SER 14 Cb 0.14 0.33 -0.04 0.00 0.21 0.00 0.00 66.02 66.66 1g91 s SER 14 CO 0.89 -0.67 -0.06 -0.31 0.41 0.00 0.00 173.24 173.50 1g91 s TYR 15 N -3.37 2.64 -0.27 2.43 2.02 -1.26 -4.51 117.35 115.03 1g91 s TYR 15 Ca 0.01 -0.23 -0.29 0.00 -0.37 0.00 0.00 57.07 56.19 1g91 s TYR 15 Cb 0.03 -1.22 0.00 0.00 -0.40 0.00 0.00 41.96 40.36 1g91 s TYR 15 CO -0.08 0.58 1.26 -0.08 -1.57 0.00 0.00 175.55 175.65 1g91 s THR 16 N -2.04 4.23 -1.48 -0.71 -1.32 -1.02 -4.90 115.64 108.40 1g91 s THR 16 Ca 0.28 1.42 -0.09 0.00 -1.21 0.00 0.00 61.69 62.09 1g91 s THR 16 Cb -0.07 -4.16 -0.08 0.00 -1.51 0.00 0.00 72.50 66.67 1g91 s THR 16 CO 0.17 -0.40 2.77 -0.81 -2.21 0.00 0.00 174.62 174.14 1g91 n PRO 17 N 7.09 3.34 -3.67 7.08 -0.04 -1.26 -4.81 135.00 142.72 1g91 n PRO 17 Ca 0.14 -2.06 -0.14 0.00 -0.04 0.00 0.00 63.50 61.40 1g91 n PRO 17 Cb 0.46 -2.74 -0.08 0.00 -0.04 0.00 0.00 33.50 31.10 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 2.47 0.70 -0.90 0.54 0.52 -1.26 -5.09 118.95 115.93 1g91 s ARG 18 Ca 0.63 0.53 -0.19 0.00 -0.52 0.00 0.00 55.73 56.18 1g91 s ARG 18 Cb 0.16 0.34 0.13 0.00 0.52 0.00 0.00 34.95 36.09 1g91 s ARG 18 CO -0.05 -0.13 1.10 -1.12 0.02 0.00 0.00 175.30 175.12 1g91 s SER 19 N -0.18 6.58 0.08 0.23 0.01 -1.26 -5.01 113.70 114.15 1g91 s SER 19 Ca -0.04 -1.94 -0.23 0.00 1.31 0.00 0.00 55.95 55.05 1g91 s SER 19 Cb -0.03 -2.40 -0.06 0.00 0.21 0.00 0.00 66.02 63.73 1g91 s SER 19 CO 0.03 -1.10 0.68 -0.63 0.41 0.00 0.00 173.24 172.63 1g91 s ILE 20 N 2.80 4.67 0.37 1.44 1.01 -1.26 -5.05 121.20 125.18 1g91 s ILE 20 Ca 0.31 1.45 -0.24 0.00 0.00 0.00 0.00 60.65 62.18 1g91 s ILE 20 Cb -0.06 -4.02 -0.10 0.00 0.01 0.00 0.00 42.46 38.29 1g91 s ILE 20 CO -0.08 0.47 0.97 -2.16 0.00 0.00 0.00 174.94 174.15 1g91 s PRO 21 N -0.68 4.38 0.49 2.79 0.04 -1.26 -4.94 135.00 135.82 1g91 s PRO 21 Ca 0.33 1.32 0.18 0.00 0.04 0.00 0.00 61.00 62.87 1g91 s PRO 21 Cb -0.20 -2.57 1.21 0.00 0.04 0.00 0.00 34.50 32.98 1g91 s PRO 21 CO 0.22 0.09 2.04 0.00 0.04 0.00 0.00 177.00 179.38 1g91 h SER 23 N 0.16 0.00 -0.54 0.00 0.02 -2.04 1.01 113.55 112.17 1g91 h SER 23 Ca 0.18 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1g91 h SER 23 Cb 0.51 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.05 1g91 h SER 23 CO -0.03 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.84 1g91 n LEU 24 N -4.00 4.82 -4.24 5.07 4.32 0.05 -4.90 117.00 118.13 1g91 n LEU 24 Ca 0.12 -2.44 -0.25 0.00 -0.02 0.00 0.00 56.01 53.42 1g91 n LEU 24 Cb 0.77 -0.62 -0.14 0.00 -1.62 0.00 0.00 43.42 41.81 1g91 n LEU 24 CO 0.33 0.65 -0.52 -0.76 -1.22 0.00 0.00 177.39 175.87 1g91 s LEU 25 N -2.12 2.16 -0.08 2.23 1.43 0.35 -3.80 118.68 118.86 1g91 s LEU 25 Ca 0.47 -0.51 0.06 0.00 -1.03 0.00 0.00 54.13 53.12 1g91 s LEU 25 Cb 0.34 -0.94 -0.09 0.00 0.03 0.00 0.00 46.19 45.53 1g91 s LEU 25 CO 0.17 0.15 0.01 -1.84 0.23 0.00 0.00 176.35 175.07 1g91 n GLU 26 N 1.88 2.37 -3.87 1.70 -0.00 0.38 -4.78 120.64 118.32 1g91 n GLU 26 Ca -0.17 0.01 -0.04 0.00 -0.00 0.00 0.00 57.16 56.95 1g91 n GLU 26 Cb 0.53 -1.19 0.02 0.00 -0.00 0.00 0.00 31.44 30.81 1g91 n GLU 26 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1g91 s SER 27 N -4.07 0.02 0.12 -1.84 0.15 -1.13 -5.03 113.70 101.92 1g91 s SER 27 Ca -0.05 -0.81 -0.26 0.00 0.70 0.00 0.00 55.95 55.53 1g91 s SER 27 Cb 0.02 0.59 0.07 0.00 -1.71 0.00 0.00 66.02 64.99 1g91 s SER 27 CO 0.28 -1.17 0.95 -0.72 1.20 0.00 0.00 173.24 173.78 1g91 s TYR 28 N -2.12 -0.17 0.33 3.44 1.13 -1.26 -0.12 117.35 118.59 1g91 s TYR 28 Ca 0.21 -0.11 -0.12 0.00 -1.41 0.00 0.00 57.07 55.65 1g91 s TYR 28 Cb -0.03 0.62 0.02 0.00 -1.10 0.00 0.00 41.96 41.47 1g91 s TYR 28 CO 0.07 -0.77 0.62 -0.59 -2.51 0.00 0.00 175.55 172.38 1g91 s PHE 29 N -3.24 0.41 0.03 -3.49 -0.71 -0.33 -4.96 117.98 105.68 1g91 s PHE 29 Ca 0.11 -0.86 0.02 0.00 -1.04 0.00 0.00 56.93 55.15 1g91 s PHE 29 Cb -0.01 0.42 -0.04 0.00 -1.21 0.00 0.00 43.02 42.18 1g91 s PHE 29 CO 0.00 -1.28 0.05 -1.21 -1.34 0.00 0.00 175.22 171.43 1g91 s GLU 30 N -3.08 2.87 0.33 1.99 2.02 -1.26 -0.26 118.70 121.31 1g91 s GLU 30 Ca 0.21 -0.61 -0.06 0.00 0.02 0.00 0.00 54.97 54.53 1g91 s GLU 30 Cb -0.03 -2.73 0.08 0.00 0.10 0.00 0.00 34.13 31.55 1g91 s GLU 30 CO 0.13 0.61 0.35 0.25 0.02 0.00 0.00 175.26 176.62 1g91 n THR 31 N 1.01 0.00 -2.17 3.63 -2.24 -0.85 -4.92 114.28 108.74 1g91 n THR 31 Ca -0.12 -0.21 -0.43 0.00 -2.27 0.00 0.00 64.05 61.03 1g91 n THR 31 Cb 0.52 -1.42 -0.02 0.00 -2.10 0.00 0.00 70.33 67.31 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 -2.40 6.78 0.45 3.42 0.02 -1.26 -4.85 114.94 117.09 1g91 s ASN 32 Ca 0.21 2.01 0.31 0.00 -1.02 0.00 0.00 52.86 54.38 1g91 s ASN 32 Cb -0.01 -2.54 1.53 0.00 0.02 0.00 0.00 41.25 40.25 1g91 s ASN 32 CO 0.16 -0.86 1.94 -1.28 0.02 0.00 0.00 177.10 177.07 1g91 h SER 33 N 9.02 0.00 -0.20 -1.22 0.87 -1.98 -2.15 113.55 117.89 1g91 h SER 33 Ca -0.34 0.00 0.06 0.00 -1.23 0.00 0.00 61.79 60.28 1g91 h SER 33 Cb 1.15 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.10 1g91 h SER 33 CO 0.96 0.00 0.20 -0.33 -0.53 0.00 0.00 176.83 177.13 1g91 h GLU 34 N 0.00 0.00 -7.11 2.24 5.08 -2.03 -3.41 114.58 109.34 1g91 h GLU 34 Ca 0.00 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.88 1g91 h GLU 34 Cb 0.18 0.00 0.05 0.00 0.50 0.00 0.00 28.75 29.47 1g91 h GLU 34 CO 0.00 0.00 0.39 0.00 -1.00 0.00 0.00 179.01 178.40 1g91 h SER 36 N 1.14 0.78 -3.45 0.00 0.87 -1.90 -3.36 113.55 107.62 1g91 h SER 36 Ca -0.49 -0.49 -0.66 0.00 -1.23 0.00 0.00 61.79 58.93 1g91 h SER 36 Cb 1.23 -0.23 -0.39 0.00 -0.44 0.00 0.00 62.40 62.57 1g91 h SER 36 CO 0.58 1.26 -0.41 -0.54 -0.53 0.00 0.00 176.83 177.19 1g91 s LYS 37 N -3.79 2.67 0.00 2.24 1.02 -1.26 -5.07 119.74 115.55 1g91 s LYS 37 Ca -0.09 -3.16 0.00 0.00 0.02 0.00 0.00 55.97 52.75 1g91 s LYS 37 Cb 0.10 -3.61 0.00 0.00 -0.52 0.00 0.00 37.83 33.79 1g91 s LYS 37 CO 0.88 -1.25 0.00 -0.35 -0.92 0.00 0.00 175.35 173.71 1g91 n PRO 38 N 2.37 -0.10 -3.28 -1.68 -0.04 -1.26 -4.61 135.00 126.41 1g91 n PRO 38 Ca 0.17 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.66 1g91 n PRO 38 Cb 0.36 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.82 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 4.53 0.25 3.34 0.55 0.00 -1.26 -4.91 105.19 107.68 1g91 n GLY 39 Ca 0.00 -0.95 -0.32 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.02 2.46 -0.21 1.61 1.01 -1.05 -2.01 120.40 120.18 1g91 s VAL 40 Ca 0.20 -0.92 -0.09 0.00 0.00 0.00 0.00 61.98 61.17 1g91 s VAL 40 Cb -0.00 -1.93 -0.05 0.00 0.00 0.00 0.00 36.38 34.40 1g91 s VAL 40 CO -0.01 0.57 0.12 -0.63 0.00 0.00 0.00 175.10 175.15 1g91 s ILE 41 N -0.27 5.23 -0.21 2.22 1.01 0.64 0.17 121.20 129.99 1g91 s ILE 41 Ca 0.00 0.13 -0.06 0.00 0.00 0.00 0.00 60.65 60.72 1g91 s ILE 41 Cb -0.13 -3.40 -0.03 0.00 0.01 0.00 0.00 42.46 38.92 1g91 s ILE 41 CO 0.03 0.42 0.01 -0.36 0.00 0.00 0.00 174.94 175.04 1g91 s PHE 42 N 0.57 3.06 -0.17 3.97 0.40 0.07 -1.19 117.98 124.70 1g91 s PHE 42 Ca 0.07 -0.41 -0.11 0.00 -0.60 0.00 0.00 56.93 55.88 1g91 s PHE 42 Cb -0.12 -2.10 -0.05 0.00 0.51 0.00 0.00 43.02 41.26 1g91 s PHE 42 CO 0.00 -0.22 0.19 -1.17 0.70 0.00 0.00 175.22 174.72 1g91 s LEU 43 N 1.03 4.25 0.63 -0.37 0.20 0.83 -2.01 118.68 123.25 1g91 s LEU 43 Ca 0.02 0.37 0.02 0.00 0.69 0.00 0.00 54.13 55.23 1g91 s LEU 43 Cb -0.14 -2.19 0.09 0.00 -0.43 0.00 0.00 46.19 43.51 1g91 s LEU 43 CO 0.02 0.19 0.88 0.42 -0.29 0.00 0.00 176.35 177.57 1g91 s THR 44 N 0.15 2.35 -2.00 3.68 -4.23 0.15 -0.47 115.64 115.27 1g91 s THR 44 Ca 0.12 -0.68 0.23 0.00 -1.18 0.00 0.00 61.69 60.18 1g91 s THR 44 Cb -0.12 -2.66 0.65 0.00 1.34 0.00 0.00 72.50 71.71 1g91 s THR 44 CO 0.01 0.00 1.80 1.17 -0.54 0.00 0.00 174.62 177.06 1g91 n LYS 45 N -2.56 0.86 -1.05 3.99 4.81 -1.25 -3.03 118.16 119.94 1g91 n LYS 45 Ca 0.12 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.43 1g91 n LYS 45 Cb 0.60 -1.42 0.21 0.00 0.02 0.00 0.00 35.03 34.45 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 -0.92 2.48 -3.27 1.64 5.02 -1.26 -4.89 118.16 116.96 1g91 n LYS 46 Ca 0.17 -3.07 -0.23 0.00 -2.02 0.00 0.00 58.31 53.16 1g91 n LYS 46 Cb 0.08 -2.08 0.04 0.00 -0.02 0.00 0.00 35.03 33.05 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 -0.91 -0.53 3.42 0.72 0.00 -1.17 -4.98 105.19 101.74 1g91 n GLY 47 Ca 0.48 0.17 -0.29 0.00 0.00 0.00 0.00 46.02 46.38 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 -5.96 1.51 -0.05 1.61 6.06 -1.25 -4.95 118.95 115.92 1g91 s ARG 48 Ca 0.42 -1.31 -0.04 0.00 -2.50 0.00 0.00 55.73 52.29 1g91 s ARG 48 Cb -0.19 -1.96 0.01 0.00 0.06 0.00 0.00 34.95 32.88 1g91 s ARG 48 CO 0.51 0.46 0.13 -0.98 -2.50 0.00 0.00 175.30 172.92 1g91 s ARG 49 N -2.11 0.14 -0.01 5.12 1.70 -1.26 0.33 118.95 122.86 1g91 s ARG 49 Ca 0.15 0.18 -0.10 0.00 -0.47 0.00 0.00 55.73 55.50 1g91 s ARG 49 Cb -0.10 0.06 0.01 0.00 -0.57 0.00 0.00 34.95 34.35 1g91 s ARG 49 CO 0.07 -0.02 0.20 -0.59 -1.08 0.00 0.00 175.30 173.88 1g91 s PHE 50 N 0.10 -0.06 0.67 5.89 -0.12 -0.85 -4.92 117.98 118.70 1g91 s PHE 50 Ca -0.00 0.07 -0.14 0.00 -0.05 0.00 0.00 56.93 56.80 1g91 s PHE 50 Cb -0.01 0.01 0.01 0.00 -0.63 0.00 0.00 43.02 42.39 1g91 s PHE 50 CO -0.00 -0.30 1.11 0.00 -0.05 0.00 0.00 175.22 175.98 1g91 s ALA 52 N -2.40 0.62 -0.07 0.00 0.00 0.44 -2.43 121.76 117.93 1g91 s ALA 52 Ca 0.66 -1.34 -0.19 0.00 0.00 0.00 0.00 51.96 51.09 1g91 s ALA 52 Cb -0.20 1.09 -0.05 0.00 0.00 0.00 0.00 23.12 23.96 1g91 s ALA 52 CO 0.43 -0.61 0.53 1.21 0.00 0.00 0.00 175.76 177.32 1g91 s ASN 53 N -3.07 6.82 0.05 0.00 3.84 -1.26 -2.53 114.94 118.79 1g91 s ASN 53 Ca 0.28 0.98 0.24 0.00 0.21 0.00 0.00 52.86 54.56 1g91 s ASN 53 Cb 0.05 -2.32 0.98 0.00 -0.55 0.00 0.00 41.25 39.41 1g91 s ASN 53 CO 0.06 0.04 1.75 -0.81 -2.79 0.00 0.00 177.10 175.36 1g91 n PRO 54 N 3.24 0.05 0.00 0.43 -0.04 -1.26 -2.53 135.00 134.90 1g91 n PRO 54 Ca -0.07 0.14 0.12 0.00 -0.04 0.00 0.00 63.50 63.65 1g91 n PRO 54 Cb 0.51 -1.57 0.26 0.00 -0.04 0.00 0.00 33.50 32.66 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 -1.66 1.35 -4.70 3.54 7.64 -1.26 -4.63 113.62 113.89 1g91 n SER 55 Ca 0.05 -1.10 -0.42 0.00 1.01 0.00 0.00 58.87 58.42 1g91 n SER 55 Cb 0.29 0.24 -0.03 0.00 -1.01 0.00 0.00 64.21 63.71 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 -2.49 6.89 0.12 6.43 -1.08 -1.05 -4.91 116.67 120.59 1g91 s ASP 56 Ca 0.23 2.18 -0.20 0.00 -0.52 0.00 0.00 52.55 54.23 1g91 s ASP 56 Cb 0.19 -2.58 -0.04 0.00 -1.46 0.00 0.00 42.92 39.03 1g91 s ASP 56 CO 0.53 -0.64 1.71 0.11 0.52 0.00 0.00 175.17 177.41 1g91 h LYS 57 N 7.18 -0.01 -0.28 4.34 1.57 -1.90 0.74 116.57 128.22 1g91 h LYS 57 Ca -0.40 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.46 1g91 h LYS 57 Cb 1.20 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.50 1g91 h LYS 57 CO 0.87 -0.00 0.27 1.96 -0.57 0.00 0.00 179.45 181.97 1g91 h GLN 58 N -0.01 0.00 0.03 3.15 4.20 -1.96 0.53 115.11 121.05 1g91 h GLN 58 Ca 0.09 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.70 1g91 h GLN 58 Cb 0.14 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.92 1g91 h GLN 58 CO -0.19 0.00 -0.38 0.28 -0.67 0.00 0.00 178.83 177.88 1g91 h VAL 59 N 0.00 1.56 0.00 -0.54 2.07 -1.21 -2.31 116.25 115.83 1g91 h VAL 59 Ca 0.13 -2.15 -0.11 0.00 0.82 0.00 0.00 66.70 65.39 1g91 h VAL 59 Cb 0.67 2.93 -0.02 0.00 -1.52 0.00 0.00 31.29 33.35 1g91 h VAL 59 CO -0.00 0.59 -0.51 0.06 0.02 0.00 0.00 177.57 177.74 1g91 h GLN 60 N -0.50 0.00 -0.08 1.57 3.07 -0.08 -1.73 115.11 117.36 1g91 h GLN 60 Ca -0.06 0.00 -0.20 0.00 0.09 0.00 0.00 58.65 58.49 1g91 h GLN 60 Cb 1.18 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.74 1g91 h GLN 60 CO 0.07 0.51 -0.77 0.28 0.09 0.00 0.00 178.83 179.01 1g91 h VAL 61 N 0.00 1.37 0.00 1.86 2.07 -0.04 -3.13 116.25 118.38 1g91 h VAL 61 Ca -0.01 -2.17 -0.18 0.00 0.82 0.00 0.00 66.70 65.17 1g91 h VAL 61 Cb 1.02 2.14 -0.02 0.00 -1.52 0.00 0.00 31.29 32.91 1g91 h VAL 61 CO 0.07 0.65 -0.84 0.00 0.02 0.00 0.00 177.57 177.47 1g91 h MET 63 N 0.02 0.25 -0.32 0.00 2.07 -1.25 0.34 114.93 116.03 1g91 h MET 63 Ca -0.01 -0.02 -0.04 0.00 -2.07 0.00 0.00 59.70 57.56 1g91 h MET 63 Cb 1.48 -0.06 -0.01 0.00 -1.87 0.00 0.00 31.60 31.14 1g91 h MET 63 CO 0.11 0.17 0.04 -0.09 1.07 0.00 0.00 176.91 178.21 1g91 h ARG 64 N 0.26 0.54 0.79 1.72 2.43 -1.65 -3.21 114.38 115.26 1g91 h ARG 64 Ca 0.44 -0.15 -0.04 0.00 -0.81 0.00 0.00 59.98 59.42 1g91 h ARG 64 Cb 0.78 -0.06 0.01 0.00 -0.42 0.00 0.00 29.97 30.28 1g91 h ARG 64 CO -0.54 0.64 -0.38 1.98 -1.51 0.00 0.00 179.97 180.16 1g91 h MET 65 N 0.36 -1.03 -5.65 0.20 4.05 -0.95 -3.32 114.93 108.60 1g91 h MET 65 Ca 0.10 0.07 -0.37 0.00 -0.28 0.00 0.00 59.70 59.21 1g91 h MET 65 Cb 0.37 0.23 -0.05 0.00 -0.80 0.00 0.00 31.60 31.36 1g91 h MET 65 CO 0.01 -0.68 1.09 -0.51 0.23 0.00 0.00 176.91 177.04 1g91 s LEU 66 N -10.02 3.20 0.60 3.39 1.43 0.96 -4.94 118.68 113.30 1g91 s LEU 66 Ca -0.18 -1.36 -0.19 0.00 -1.03 0.00 0.00 54.13 51.37 1g91 s LEU 66 Cb 0.03 -2.58 -0.04 0.00 0.03 0.00 0.00 46.19 43.63 1g91 s LEU 66 CO 0.61 -2.65 1.08 0.29 0.23 0.00 0.00 176.35 175.91 1g91 n LYS 67 N 8.55 1.04 -2.41 1.70 4.76 -1.25 -4.83 118.16 125.72 1g91 n LYS 67 Ca 0.43 0.40 -0.41 0.00 -2.87 0.00 0.00 58.31 55.86 1g91 n LYS 67 Cb 0.47 -2.29 -0.04 0.00 -1.84 0.00 0.00 35.03 31.33 1g91 n LYS 67 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1g91 s LEU 68 N -2.66 4.48 -1.21 -0.35 2.96 -1.26 -4.94 118.68 115.70 1g91 s LEU 68 Ca 0.77 2.25 -0.07 0.00 -0.22 0.00 0.00 54.13 56.85 1g91 s LEU 68 Cb -0.41 -3.61 0.22 0.00 0.50 0.00 0.00 46.19 42.88 1g91 s LEU 68 CO 0.46 -0.30 1.75 -0.67 -1.32 0.00 0.00 176.35 176.27 1g91 n ASP 69 N 2.05 5.59 0.08 3.68 2.03 -1.26 -4.70 116.55 124.02 1g91 n ASP 69 Ca 0.02 -3.22 -0.11 0.00 0.52 0.00 0.00 54.79 52.00 1g91 n ASP 69 Cb 0.45 -1.40 -0.04 0.00 -0.72 0.00 0.00 41.12 39.40 1g91 n ASP 69 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1g91 h THR 70 N 3.61 1.48 -1.27 5.18 1.35 -1.97 -3.46 112.91 117.84 1g91 h THR 70 Ca 0.33 -2.68 0.00 0.00 -0.55 0.00 0.00 66.41 63.51 1g91 h THR 70 Cb 0.62 2.54 0.00 0.00 -1.73 0.00 0.00 68.15 69.58 1g91 h THR 70 CO 1.53 0.78 0.00 -1.14 -0.25 0.00 0.00 175.52 176.44 1g91 n ARG 71 N -3.65 3.90 -2.82 4.72 0.63 -1.26 -5.05 116.66 113.14 1g91 n ARG 71 Ca -0.05 0.00 -0.26 0.00 -0.92 0.00 0.00 57.85 56.62 1g91 n ARG 71 Cb 0.85 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.74 1g91 n ARG 71 CO 0.00 0.00 0.00 0.44 -2.51 0.00 0.00 177.63 175.56 1g91 n ILE 72 N 0.00 2.68 -3.22 5.15 -5.35 -1.26 -4.92 119.36 112.44 1g91 n ILE 72 Ca 0.00 -5.30 -0.02 0.00 -0.27 0.00 0.00 62.75 57.16 1g91 n ILE 72 Cb 0.00 -1.26 -0.02 0.00 -1.74 0.00 0.00 39.64 36.62 1g91 n ILE 72 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 1g91 s LYS 73 N -3.44 0.80 0.38 6.28 2.20 -1.26 -5.00 119.74 119.71 1g91 s LYS 73 Ca 0.48 -0.39 0.16 0.00 -0.36 0.00 0.00 55.97 55.86 1g91 s LYS 73 Cb 0.32 -0.04 1.04 0.00 -1.51 0.00 0.00 37.83 37.65 1g91 s LYS 73 CO -0.15 -1.20 1.77 1.79 -0.36 0.00 0.00 175.35 177.21 1g91 h THR 74 N 5.00 0.55 -3.67 3.43 1.35 -1.97 -3.41 112.91 114.19 1g91 h THR 74 Ca 0.05 -0.15 -0.17 0.00 -0.55 0.00 0.00 66.41 65.59 1g91 h THR 74 Cb 1.16 0.06 -0.22 0.00 -1.73 0.00 0.00 68.15 67.41 1g91 h THR 74 CO 0.11 0.08 -0.58 -0.13 -0.25 0.00 0.00 175.52 174.75 1g91 s ARG 75 N -5.56 0.35 0.00 4.72 0.52 -1.26 -5.02 118.95 112.71 1g91 s ARG 75 Ca -0.09 -0.36 0.00 0.00 -0.52 0.00 0.00 55.73 54.76 1g91 s ARG 75 Cb 0.25 0.14 0.00 0.00 0.52 0.00 0.00 34.95 35.86 1g91 s ARG 75 CO 0.80 -0.07 0.07 0.36 0.02 0.00 0.00 175.30 176.47 1g91 n LYS 76 N 1.83 5.01 -0.36 3.54 0.00 -1.26 -5.19 118.16 121.74 1g91 n LYS 76 Ca -0.21 -0.07 0.00 0.00 -0.00 0.00 0.00 58.31 58.03 1g91 n LYS 76 Cb 0.56 -0.52 0.00 0.00 -0.00 0.00 0.00 35.03 35.07 1g91 n LYS 76 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69