#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 -0.00 -4.97 6.12 -0.08 -1.26 -5.12 116.55 111.24 1g91 n ASP 2 Ca 0.00 -2.41 -0.20 0.00 -1.51 0.00 0.00 54.79 50.68 1g91 n ASP 2 Cb 0.00 0.14 0.01 0.00 2.34 0.00 0.00 41.12 43.61 1g91 n ASP 2 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 1g91 s ARG 3 N -1.74 2.56 0.46 -0.67 3.52 -1.26 -5.13 118.95 116.68 1g91 s ARG 3 Ca 0.22 -1.50 0.06 0.00 -0.13 0.00 0.00 55.73 54.39 1g91 s ARG 3 Cb 0.41 -2.57 -0.02 0.00 -1.56 0.00 0.00 34.95 31.21 1g91 s ARG 3 CO -0.04 -0.44 0.26 -0.06 -0.81 0.00 0.00 175.30 174.21 1g91 s PHE 4 N -2.51 2.31 -0.34 5.12 0.40 -1.26 -5.06 117.98 116.64 1g91 s PHE 4 Ca 0.53 -0.67 0.10 0.00 -0.60 0.00 0.00 56.93 56.29 1g91 s PHE 4 Cb -0.06 -1.96 0.45 0.00 0.51 0.00 0.00 43.02 41.96 1g91 s PHE 4 CO 0.32 -0.05 1.13 0.72 0.70 0.00 0.00 175.22 178.04 1g91 n HIS 5 N -1.44 2.60 -1.58 0.36 8.25 -1.26 -5.09 115.22 117.07 1g91 n HIS 5 Ca -0.02 -2.58 0.05 0.00 -0.26 0.00 0.00 57.72 54.91 1g91 n HIS 5 Cb 0.64 -0.24 -0.03 0.00 1.12 0.00 0.00 29.99 31.48 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 -0.54 -2.52 -2.82 -1.41 0.00 -1.26 -5.03 120.51 106.92 1g91 n ALA 6 Ca 0.33 0.63 -0.10 0.00 0.00 0.00 0.00 53.44 54.31 1g91 n ALA 6 Cb 0.82 -1.53 -0.06 0.00 0.00 0.00 0.00 19.45 18.69 1g91 n ALA 6 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1g91 s THR 7 N -5.16 0.10 0.33 0.00 -4.23 -1.26 -5.17 115.64 100.25 1g91 s THR 7 Ca 0.00 -0.82 0.06 0.00 -1.18 0.00 0.00 61.69 59.74 1g91 s THR 7 Cb 0.00 -1.23 -0.01 0.00 1.34 0.00 0.00 72.50 72.59 1g91 s THR 7 CO 0.00 -0.46 0.47 -0.94 -0.54 0.00 0.00 174.62 173.15 1g91 s SER 8 N -2.82 6.03 -0.09 3.99 1.04 -1.26 -5.10 113.70 115.49 1g91 s SER 8 Ca 0.04 -0.10 -0.07 0.00 0.48 0.00 0.00 55.95 56.30 1g91 s SER 8 Cb 0.03 -1.37 -0.04 0.00 0.10 0.00 0.00 66.02 64.74 1g91 s SER 8 CO -0.12 -0.39 0.16 0.00 0.98 0.00 0.00 173.24 173.88 1g91 s ALA 9 N -2.17 3.89 -0.30 5.32 0.00 -1.26 -4.85 121.76 122.39 1g91 s ALA 9 Ca 0.43 -0.64 -0.16 0.00 0.00 0.00 0.00 51.96 51.59 1g91 s ALA 9 Cb -0.09 -1.97 0.18 0.00 0.00 0.00 0.00 23.12 21.23 1g91 s ALA 9 CO 0.31 0.64 1.11 0.34 0.00 0.00 0.00 175.76 178.16 1g91 s ASP 10 N -1.21 -0.33 0.78 0.00 2.15 -1.26 -5.00 116.67 111.80 1g91 s ASP 10 Ca 0.18 0.50 -0.05 0.00 0.43 0.00 0.00 52.55 53.61 1g91 s ASP 10 Cb -0.12 1.25 0.11 0.00 -0.30 0.00 0.00 42.92 43.86 1g91 s ASP 10 CO 0.07 -0.07 0.69 0.00 -0.17 0.00 0.00 175.17 175.69 1g91 n ILE 13 N 3.70 0.59 -3.68 0.00 2.08 -1.26 -4.94 119.36 115.86 1g91 n ILE 13 Ca -0.17 -0.25 -0.10 0.00 0.56 0.00 0.00 62.75 62.78 1g91 n ILE 13 Cb 0.52 -0.85 -0.10 0.00 -0.75 0.00 0.00 39.64 38.46 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 -4.80 -0.43 0.33 4.38 0.15 -1.26 -5.15 113.70 106.92 1g91 s SER 14 Ca -0.12 0.94 -0.22 0.00 0.70 0.00 0.00 55.95 57.25 1g91 s SER 14 Cb 0.03 0.98 -0.10 0.00 -1.71 0.00 0.00 66.02 65.23 1g91 s SER 14 CO 0.26 -0.21 0.87 -0.31 1.20 0.00 0.00 173.24 175.06 1g91 s TYR 15 N 1.82 3.54 -0.07 3.44 2.02 -1.26 -4.11 117.35 122.74 1g91 s TYR 15 Ca -0.07 1.59 -0.29 0.00 -0.37 0.00 0.00 57.07 57.92 1g91 s TYR 15 Cb -0.10 -2.79 -0.06 0.00 -0.40 0.00 0.00 41.96 38.61 1g91 s TYR 15 CO -0.13 0.14 1.83 -0.08 -1.57 0.00 0.00 175.55 175.74 1g91 s THR 16 N -1.79 3.33 -1.04 -0.71 -1.32 -0.99 -4.85 115.64 108.27 1g91 s THR 16 Ca 0.52 0.38 -0.08 0.00 -1.21 0.00 0.00 61.69 61.31 1g91 s THR 16 Cb -0.15 -3.28 -0.13 0.00 -1.51 0.00 0.00 72.50 67.43 1g91 s THR 16 CO 0.19 -0.07 2.99 -0.81 -2.21 0.00 0.00 174.62 174.71 1g91 n PRO 17 N 7.57 2.94 -3.57 7.08 -0.04 -1.26 -4.81 135.00 142.90 1g91 n PRO 17 Ca 0.20 -1.72 -0.12 0.00 -0.04 0.00 0.00 63.50 61.82 1g91 n PRO 17 Cb 0.43 -2.50 -0.04 0.00 -0.04 0.00 0.00 33.50 31.34 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 2.02 1.09 -0.35 0.54 3.00 -1.26 -5.13 118.95 118.86 1g91 s ARG 18 Ca 0.64 -0.47 -0.19 0.00 0.00 0.00 0.00 55.73 55.71 1g91 s ARG 18 Cb 0.21 0.49 -0.00 0.00 0.00 0.00 0.00 34.95 35.64 1g91 s ARG 18 CO -0.04 -0.42 0.55 -1.12 0.00 0.00 0.00 175.30 174.27 1g91 s SER 19 N -2.44 6.35 -0.19 0.23 0.01 -1.26 -5.04 113.70 111.35 1g91 s SER 19 Ca -0.01 0.04 -0.07 0.00 1.31 0.00 0.00 55.95 57.22 1g91 s SER 19 Cb 0.00 -2.29 -0.04 0.00 0.21 0.00 0.00 66.02 63.91 1g91 s SER 19 CO -0.08 -0.51 0.06 -0.63 0.41 0.00 0.00 173.24 172.50 1g91 s ILE 20 N 2.48 4.70 0.60 1.44 1.09 -1.26 -5.09 121.20 125.17 1g91 s ILE 20 Ca 0.20 -0.06 -0.13 0.00 -1.10 0.00 0.00 60.65 59.57 1g91 s ILE 20 Cb -0.15 -3.13 -0.04 0.00 -1.06 0.00 0.00 42.46 38.08 1g91 s ILE 20 CO 0.14 0.44 1.03 -2.16 -0.10 0.00 0.00 174.94 174.28 1g91 s PRO 21 N 0.54 3.57 0.29 2.79 0.04 -1.26 -4.93 135.00 136.03 1g91 s PRO 21 Ca 0.03 0.86 0.22 0.00 0.04 0.00 0.00 61.00 62.15 1g91 s PRO 21 Cb -0.13 -2.08 1.06 0.00 0.04 0.00 0.00 34.50 33.40 1g91 s PRO 21 CO 0.01 -0.59 1.68 0.00 0.04 0.00 0.00 177.00 178.14 1g91 h SER 23 N 0.00 0.00 -0.74 0.00 0.87 -2.00 -3.07 113.55 108.62 1g91 h SER 23 Ca 0.00 0.00 -0.29 0.00 -1.23 0.00 0.00 61.79 60.27 1g91 h SER 23 Cb 0.19 0.00 -0.17 0.00 -0.44 0.00 0.00 62.40 61.97 1g91 h SER 23 CO 0.00 0.56 0.33 0.18 -0.53 0.00 0.00 176.83 177.37 1g91 n LEU 24 N -3.47 5.91 -4.22 2.23 4.32 -0.60 -4.89 117.00 116.29 1g91 n LEU 24 Ca 0.00 -3.40 -0.26 0.00 -0.02 0.00 0.00 56.01 52.33 1g91 n LEU 24 Cb 0.66 -0.75 -0.15 0.00 -1.62 0.00 0.00 43.42 41.56 1g91 n LEU 24 CO 0.40 0.93 -0.52 -0.76 -1.22 0.00 0.00 177.39 176.23 1g91 s LEU 25 N -3.12 2.08 -0.09 2.23 1.43 -1.16 -3.54 118.68 116.51 1g91 s LEU 25 Ca 0.54 -0.41 0.09 0.00 -1.03 0.00 0.00 54.13 53.31 1g91 s LEU 25 Cb 0.44 -1.00 -0.12 0.00 0.03 0.00 0.00 46.19 45.54 1g91 s LEU 25 CO 0.11 0.21 0.04 1.21 0.23 0.00 0.00 176.35 178.15 1g91 n GLU 26 N 2.35 2.33 -3.66 1.70 0.00 0.43 -4.57 120.64 119.21 1g91 n GLU 26 Ca -0.16 -0.01 0.02 0.00 0.00 0.00 0.00 57.16 57.02 1g91 n GLU 26 Cb 0.53 -1.25 0.01 0.00 0.00 0.00 0.00 31.44 30.73 1g91 n GLU 26 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1g91 n SER 27 N -2.35 -1.03 -3.71 4.31 7.64 -0.81 -4.99 113.62 112.68 1g91 n SER 27 Ca -0.16 -1.23 -0.03 0.00 1.01 0.00 0.00 58.87 58.46 1g91 n SER 27 Cb 0.81 1.60 -0.01 0.00 -1.01 0.00 0.00 64.21 65.60 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 -2.20 -0.14 0.03 1.43 1.13 -1.26 0.58 117.35 116.91 1g91 s TYR 28 Ca 0.25 -0.11 -0.03 0.00 -1.41 0.00 0.00 57.07 55.77 1g91 s TYR 28 Cb -0.01 0.61 0.01 0.00 -1.10 0.00 0.00 41.96 41.48 1g91 s TYR 28 CO -0.00 -0.72 0.13 1.97 -2.51 0.00 0.00 175.55 174.42 1g91 n PHE 29 N -0.44 -0.80 -4.14 -3.49 -1.74 -0.60 -4.97 117.46 101.27 1g91 n PHE 29 Ca -0.07 -0.19 -0.33 0.00 -0.56 0.00 0.00 57.45 56.31 1g91 n PHE 29 Cb 0.61 0.09 -0.07 0.00 1.52 0.00 0.00 39.48 41.63 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 -2.01 2.97 0.71 3.97 2.02 -1.26 -0.85 118.70 124.25 1g91 s GLU 30 Ca 0.03 -0.54 -0.12 0.00 0.02 0.00 0.00 54.97 54.36 1g91 s GLU 30 Cb -0.00 -2.80 0.02 0.00 0.10 0.00 0.00 34.13 31.45 1g91 s GLU 30 CO 0.01 0.63 1.08 0.95 0.02 0.00 0.00 175.26 177.96 1g91 s THR 31 N -1.18 3.51 -0.39 3.63 -4.23 -1.03 -4.83 115.64 111.12 1g91 s THR 31 Ca 0.23 0.56 -0.38 0.00 -1.18 0.00 0.00 61.69 60.91 1g91 s THR 31 Cb -0.12 -3.11 -0.14 0.00 1.34 0.00 0.00 72.50 70.48 1g91 s THR 31 CO 0.14 -0.58 2.16 -3.20 -0.54 0.00 0.00 174.62 172.60 1g91 n ASN 32 N -3.05 1.72 -0.31 3.99 5.15 -1.22 -4.74 115.26 116.80 1g91 n ASN 32 Ca 0.09 0.51 0.26 0.00 -0.60 0.00 0.00 54.58 54.85 1g91 n ASN 32 Cb 0.53 -1.15 0.59 0.00 -0.53 0.00 0.00 39.78 39.22 1g91 n ASN 32 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 1g91 h SER 33 N 11.19 0.30 -0.90 1.20 4.64 -1.95 0.48 113.55 128.51 1g91 h SER 33 Ca -0.23 0.06 0.26 0.00 -0.47 0.00 0.00 61.79 61.41 1g91 h SER 33 Cb 1.35 0.01 -0.04 0.00 -0.31 0.00 0.00 62.40 63.41 1g91 h SER 33 CO 1.04 0.05 0.76 -0.33 -0.87 0.00 0.00 176.83 177.48 1g91 h GLU 34 N 0.26 0.00 -7.01 4.77 4.39 -1.98 -3.41 114.58 111.61 1g91 h GLU 34 Ca 0.58 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.73 1g91 h GLU 34 Cb 1.72 0.00 0.14 0.00 -0.10 0.00 0.00 28.75 30.51 1g91 h GLU 34 CO -0.21 0.00 0.62 0.00 -1.16 0.00 0.00 179.01 178.26 1g91 h SER 36 N 1.69 0.00 -3.35 0.00 0.02 -1.88 -3.40 113.55 106.63 1g91 h SER 36 Ca -0.51 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 59.77 1g91 h SER 36 Cb 1.29 0.00 -0.35 0.00 0.14 0.00 0.00 62.40 63.49 1g91 h SER 36 CO 0.58 0.00 -0.82 -0.54 -1.14 0.00 0.00 176.83 174.91 1g91 s LYS 37 N -3.58 2.79 0.80 3.45 1.02 -1.26 -5.11 119.74 117.85 1g91 s LYS 37 Ca 0.02 -0.98 -0.12 0.00 0.02 0.00 0.00 55.97 54.92 1g91 s LYS 37 Cb 0.09 -2.74 0.07 0.00 -0.52 0.00 0.00 37.83 34.73 1g91 s LYS 37 CO 0.53 -0.33 1.13 -1.25 -0.92 0.00 0.00 175.35 174.51 1g91 s PRO 38 N 1.26 2.07 0.00 -1.68 0.04 -1.26 -4.26 135.00 131.16 1g91 s PRO 38 Ca 0.01 0.37 0.00 0.00 0.04 0.00 0.00 61.00 61.42 1g91 s PRO 38 Cb -0.15 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.45 1g91 s PRO 38 CO -0.09 -1.57 0.00 0.41 0.04 0.00 0.00 177.00 175.79 1g91 n GLY 39 N -2.72 0.59 3.43 0.56 0.00 -1.26 -4.87 105.19 100.93 1g91 n GLY 39 Ca 0.07 -1.06 -0.29 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.00 2.55 -0.16 1.61 1.01 -1.03 -2.46 120.40 119.92 1g91 s VAL 40 Ca 0.00 -1.55 -0.02 0.00 0.00 0.00 0.00 61.98 60.41 1g91 s VAL 40 Cb 0.00 -2.13 -0.02 0.00 0.00 0.00 0.00 36.38 34.23 1g91 s VAL 40 CO 0.00 0.15 -0.09 -0.63 0.00 0.00 0.00 175.10 174.53 1g91 s ILE 41 N -1.05 3.31 -0.21 2.22 -1.09 -0.03 0.48 121.20 124.83 1g91 s ILE 41 Ca 0.15 -0.56 -0.06 0.00 -2.23 0.00 0.00 60.65 57.96 1g91 s ILE 41 Cb -0.10 -2.43 -0.03 0.00 -1.58 0.00 0.00 42.46 38.32 1g91 s ILE 41 CO 0.07 0.50 0.02 -0.36 -1.23 0.00 0.00 174.94 173.94 1g91 s PHE 42 N 0.61 3.08 -0.30 3.97 0.40 0.85 -1.56 117.98 125.04 1g91 s PHE 42 Ca -0.05 -0.38 -0.12 0.00 -0.60 0.00 0.00 56.93 55.78 1g91 s PHE 42 Cb -0.15 -2.12 -0.04 0.00 0.51 0.00 0.00 43.02 41.22 1g91 s PHE 42 CO 0.03 -0.21 0.22 -1.17 0.70 0.00 0.00 175.22 174.79 1g91 s LEU 43 N 1.05 4.15 0.76 -0.37 0.20 0.20 -1.90 118.68 122.78 1g91 s LEU 43 Ca 0.03 -0.09 -0.11 0.00 0.69 0.00 0.00 54.13 54.65 1g91 s LEU 43 Cb -0.14 -2.16 0.06 0.00 -0.43 0.00 0.00 46.19 43.51 1g91 s LEU 43 CO 0.02 -0.12 1.13 0.42 -0.29 0.00 0.00 176.35 177.52 1g91 s THR 44 N 1.79 2.52 -1.84 3.68 -4.23 0.10 0.16 115.64 117.82 1g91 s THR 44 Ca 0.08 0.11 0.22 0.00 -1.18 0.00 0.00 61.69 60.93 1g91 s THR 44 Cb -0.16 -3.15 0.57 0.00 1.34 0.00 0.00 72.50 71.09 1g91 s THR 44 CO 0.11 -0.20 1.72 1.17 -0.54 0.00 0.00 174.62 176.88 1g91 n LYS 45 N -3.17 0.59 -0.92 3.99 4.81 -1.23 -2.71 118.16 119.52 1g91 n LYS 45 Ca 0.08 0.02 -0.08 0.00 -0.87 0.00 0.00 58.31 57.46 1g91 n LYS 45 Cb 0.60 -1.50 0.25 0.00 0.02 0.00 0.00 35.03 34.39 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 -1.08 3.14 -2.49 1.64 0.00 -1.26 -4.86 118.16 113.25 1g91 n LYS 46 Ca 0.15 -2.63 -0.20 0.00 0.00 0.00 0.00 58.31 55.63 1g91 n LYS 46 Cb 0.11 -2.08 -0.00 0.00 0.00 0.00 0.00 35.03 33.05 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 -0.23 -0.45 3.58 3.14 0.00 -1.10 -4.98 105.19 105.15 1g91 n GLY 47 Ca 0.38 -0.03 -0.28 0.00 0.00 0.00 0.00 46.02 46.09 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 -5.11 2.13 0.00 1.61 0.52 -1.25 -4.95 118.95 111.90 1g91 s ARG 48 Ca 0.05 -1.11 0.00 0.00 -0.52 0.00 0.00 55.73 54.15 1g91 s ARG 48 Cb -0.02 -2.26 -0.00 0.00 0.52 0.00 0.00 34.95 33.18 1g91 s ARG 48 CO 0.07 0.48 -0.01 -0.98 0.02 0.00 0.00 175.30 174.87 1g91 s ARG 49 N -2.48 0.09 0.23 3.54 1.70 -1.26 0.01 118.95 120.78 1g91 s ARG 49 Ca 0.23 -0.11 -0.08 0.00 -0.47 0.00 0.00 55.73 55.30 1g91 s ARG 49 Cb -0.10 -0.03 -0.02 0.00 -0.57 0.00 0.00 34.95 34.23 1g91 s ARG 49 CO 0.15 0.00 0.35 -0.59 -1.08 0.00 0.00 175.30 174.13 1g91 s PHE 50 N -0.23 0.68 0.47 5.89 -0.71 -0.80 -4.94 117.98 118.34 1g91 s PHE 50 Ca -0.02 -0.99 0.00 0.00 -1.04 0.00 0.00 56.93 54.88 1g91 s PHE 50 Cb -0.02 -0.10 0.00 0.00 -1.21 0.00 0.00 43.02 41.70 1g91 s PHE 50 CO -0.00 -0.86 0.70 0.00 -1.34 0.00 0.00 175.22 173.71 1g91 s ALA 52 N -2.60 -0.73 0.25 0.00 0.00 0.18 -2.33 121.76 116.53 1g91 s ALA 52 Ca 0.50 0.23 -0.30 0.00 0.00 0.00 0.00 51.96 52.39 1g91 s ALA 52 Cb -0.10 0.12 -0.09 0.00 0.00 0.00 0.00 23.12 23.05 1g91 s ALA 52 CO 0.38 -0.28 1.00 1.21 0.00 0.00 0.00 175.76 178.07 1g91 s ASN 53 N -1.46 7.50 0.00 0.00 3.84 -1.26 -2.47 114.94 121.08 1g91 s ASN 53 Ca -0.12 2.07 0.23 0.00 0.21 0.00 0.00 52.86 55.26 1g91 s ASN 53 Cb -0.05 -2.62 1.04 0.00 -0.55 0.00 0.00 41.25 39.07 1g91 s ASN 53 CO 0.03 0.04 1.76 -0.81 -2.79 0.00 0.00 177.10 175.33 1g91 n PRO 54 N 1.38 0.06 -0.07 0.43 -0.04 -1.26 -2.53 135.00 132.97 1g91 n PRO 54 Ca -0.02 0.09 0.12 0.00 -0.04 0.00 0.00 63.50 63.66 1g91 n PRO 54 Cb 0.46 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.62 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 2.93 -4.66 3.54 7.64 -1.26 -4.89 113.62 115.45 1g91 n SER 55 Ca 0.07 -1.93 -0.43 0.00 1.01 0.00 0.00 58.87 57.59 1g91 n SER 55 Cb 0.26 -0.10 -0.02 0.00 -1.01 0.00 0.00 64.21 63.34 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 -1.79 7.12 0.18 6.43 -1.08 -1.05 -4.92 116.67 121.56 1g91 s ASP 56 Ca 0.33 1.40 -0.12 0.00 -0.52 0.00 0.00 52.55 53.64 1g91 s ASP 56 Cb 0.21 -2.54 0.08 0.00 -1.46 0.00 0.00 42.92 39.21 1g91 s ASP 56 CO 0.31 -0.64 1.73 0.11 0.52 0.00 0.00 175.17 177.20 1g91 h LYS 57 N 7.40 0.92 -0.08 4.34 1.57 -1.90 -1.73 116.57 127.09 1g91 h LYS 57 Ca -0.21 -0.17 0.02 0.00 -1.87 0.00 0.00 60.65 58.43 1g91 h LYS 57 Cb 1.07 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 33.23 1g91 h LYS 57 CO 0.96 0.78 0.07 1.96 -0.57 0.00 0.00 179.45 182.66 1g91 h GLN 58 N 0.85 0.00 -0.02 3.15 4.20 -1.97 0.36 115.11 121.68 1g91 h GLN 58 Ca 0.20 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.76 1g91 h GLN 58 Cb 0.21 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.00 1g91 h GLN 58 CO -0.02 0.00 -0.59 0.28 -0.67 0.00 0.00 178.83 177.84 1g91 h VAL 59 N 0.00 1.41 -0.00 -0.54 2.07 -1.65 -1.65 116.25 115.89 1g91 h VAL 59 Ca 0.04 -2.03 -0.16 0.00 0.82 0.00 0.00 66.70 65.37 1g91 h VAL 59 Cb 0.18 2.52 -0.02 0.00 -1.52 0.00 0.00 31.29 32.45 1g91 h VAL 59 CO -0.00 0.59 -0.76 0.06 0.02 0.00 0.00 177.57 177.49 1g91 h GLN 60 N -0.06 0.03 -0.02 1.57 3.07 -0.96 -2.56 115.11 116.18 1g91 h GLN 60 Ca -0.07 -0.03 -0.19 0.00 0.09 0.00 0.00 58.65 58.45 1g91 h GLN 60 Cb 1.28 0.01 -0.01 0.00 0.08 0.00 0.00 27.48 28.85 1g91 h GLN 60 CO 0.12 0.77 -0.83 0.28 0.09 0.00 0.00 178.83 179.26 1g91 h VAL 61 N 0.02 1.44 -0.07 1.86 2.07 -0.37 -3.21 116.25 117.98 1g91 h VAL 61 Ca -0.01 -2.41 -0.20 0.00 0.82 0.00 0.00 66.70 64.91 1g91 h VAL 61 Cb 1.34 2.33 -0.00 0.00 -1.52 0.00 0.00 31.29 33.43 1g91 h VAL 61 CO 0.10 0.71 -0.78 0.00 0.02 0.00 0.00 177.57 177.62 1g91 n MET 63 N -3.83 0.12 0.07 0.00 0.00 -0.97 -1.08 117.12 111.44 1g91 n MET 63 Ca -0.05 0.60 -0.08 0.00 0.00 0.00 0.00 57.70 58.17 1g91 n MET 63 Cb 0.74 -1.89 -0.10 0.00 0.00 0.00 0.00 33.22 31.97 1g91 n MET 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1g91 h ARG 64 N 0.00 0.05 0.00 3.17 3.08 -1.57 -2.83 114.38 116.28 1g91 h ARG 64 Ca 0.00 -0.08 -0.13 0.00 0.07 0.00 0.00 59.98 59.84 1g91 h ARG 64 Cb 0.03 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 1g91 h ARG 64 CO 0.00 1.01 -1.64 -0.12 -1.07 0.00 0.00 179.97 178.15 1g91 n MET 65 N -3.42 0.64 -0.00 0.04 1.56 -0.24 -3.82 117.12 111.88 1g91 n MET 65 Ca -0.02 0.06 -0.18 0.00 -0.27 0.00 0.00 57.70 57.30 1g91 n MET 65 Cb 0.93 -1.70 -0.09 0.00 2.15 0.00 0.00 33.22 34.51 1g91 n MET 65 CO 0.00 0.00 0.00 -0.07 -0.73 0.00 0.00 175.97 175.17 1g91 h LEU 66 N 0.00 0.74 -1.38 -0.89 3.38 -1.29 -3.16 115.31 112.71 1g91 h LEU 66 Ca -0.16 -0.69 -0.05 0.00 0.09 0.00 0.00 57.88 57.08 1g91 h LEU 66 Cb 1.44 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 1g91 h LEU 66 CO 0.02 1.32 -0.08 0.50 0.09 0.00 0.00 178.44 180.29 1g91 h LYS 67 N 0.22 0.31 -6.32 1.13 3.64 -1.67 -3.40 116.57 110.49 1g91 h LYS 67 Ca -0.07 -0.07 -0.57 0.00 -1.27 0.00 0.00 60.65 58.68 1g91 h LYS 67 Cb 1.38 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 33.11 1g91 h LYS 67 CO 0.14 0.41 1.05 -1.17 -2.27 0.00 0.00 179.45 177.61 1g91 s LEU 68 N -8.87 3.89 -0.09 5.20 1.98 -1.19 -4.90 118.68 114.69 1g91 s LEU 68 Ca -0.06 1.41 -0.07 0.00 -2.89 0.00 0.00 54.13 52.52 1g91 s LEU 68 Cb 0.16 -3.54 -0.06 0.00 0.66 0.00 0.00 46.19 43.41 1g91 s LEU 68 CO 0.74 -1.16 0.24 0.44 -1.89 0.00 0.00 176.35 174.72 1g91 h ASP 69 N 9.99 -0.08 -6.19 3.68 5.19 -1.85 -3.48 116.42 123.69 1g91 h ASP 69 Ca -0.30 -0.15 -0.41 0.00 -0.62 0.00 0.00 57.03 55.55 1g91 h ASP 69 Cb 1.12 0.02 0.08 0.00 0.18 0.00 0.00 39.33 40.74 1g91 h ASP 69 CO 1.02 0.48 -0.90 0.41 -3.12 0.00 0.00 179.24 177.13 1g91 n THR 70 N -4.82 -6.06 -1.69 0.35 -1.04 -1.26 -4.81 114.28 94.95 1g91 n THR 70 Ca -0.03 -0.89 -0.44 0.00 -2.04 0.00 0.00 64.05 60.65 1g91 n THR 70 Cb 0.11 -4.48 -0.03 0.00 -1.82 0.00 0.00 70.33 64.11 1g91 n THR 70 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1g91 n ARG 71 N -3.95 2.28 0.00 -2.82 0.63 -1.26 -4.97 116.66 106.57 1g91 n ARG 71 Ca -0.10 0.82 0.00 0.00 -0.92 0.00 0.00 57.85 57.65 1g91 n ARG 71 Cb 0.59 -2.55 0.00 0.00 0.45 0.00 0.00 32.46 30.95 1g91 n ARG 71 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 1g91 n ILE 72 N 2.64 0.00 -2.87 5.15 -0.00 -1.26 -5.05 119.36 117.96 1g91 n ILE 72 Ca 0.13 0.00 -0.42 0.00 -0.00 0.00 0.00 62.75 62.46 1g91 n ILE 72 Cb 0.32 0.00 -0.04 0.00 -0.00 0.00 0.00 39.64 39.92 1g91 n ILE 72 CO 0.00 0.00 0.00 -0.54 -0.00 0.00 0.00 176.55 176.01 1g91 s LYS 73 N 4.84 3.88 -0.34 0.38 1.02 -1.26 -4.93 119.74 123.33 1g91 s LYS 73 Ca 0.00 0.56 -0.05 0.00 0.02 0.00 0.00 55.97 56.50 1g91 s LYS 73 Cb 0.00 -3.77 0.19 0.00 -0.52 0.00 0.00 37.83 33.72 1g91 s LYS 73 CO 0.00 -0.83 0.95 0.99 -0.92 0.00 0.00 175.35 175.54 1g91 s THR 74 N 3.23 -0.40 -0.42 2.17 2.01 -1.26 -5.05 115.64 115.92 1g91 s THR 74 Ca 0.35 0.00 0.10 0.00 0.31 0.00 0.00 61.69 62.45 1g91 s THR 74 Cb -0.13 -0.04 0.41 0.00 0.01 0.00 0.00 72.50 72.75 1g91 s THR 74 CO 0.16 0.00 0.99 0.54 -0.69 0.00 0.00 174.62 175.62 1g91 n ARG 75 N 4.01 2.40 0.00 4.92 5.12 -1.26 -4.77 116.66 127.08 1g91 n ARG 75 Ca 0.07 -4.05 0.00 0.00 -1.93 0.00 0.00 57.85 51.94 1g91 n ARG 75 Cb 0.61 -1.87 0.00 0.00 -1.16 0.00 0.00 32.46 30.04 1g91 n ARG 75 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1g91 n LYS 76 N -0.22 0.00 -0.59 5.56 5.02 -1.26 -5.34 118.16 121.32 1g91 n LYS 76 Ca 0.27 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.56 1g91 n LYS 76 Cb 0.66 -0.44 0.00 0.00 -0.02 0.00 0.00 35.03 35.24 1g91 n LYS 76 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97