#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 -6.04 -4.66 7.83 2.03 -1.26 -4.93 116.55 109.52 1g91 n ASP 2 Ca 0.00 1.34 -0.30 0.00 0.52 0.00 0.00 54.79 56.35 1g91 n ASP 2 Cb 0.00 -4.97 0.17 0.00 -0.72 0.00 0.00 41.12 35.60 1g91 n ASP 2 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1g91 s ARG 3 N -1.31 0.85 -0.99 -0.67 0.52 -1.26 -4.80 118.95 111.29 1g91 s ARG 3 Ca -0.07 1.12 -0.24 0.00 -0.52 0.00 0.00 55.73 56.02 1g91 s ARG 3 Cb 0.00 -1.74 -0.09 0.00 0.52 0.00 0.00 34.95 33.64 1g91 s ARG 3 CO 0.71 -2.61 2.03 0.12 0.02 0.00 0.00 175.30 175.58 1g91 s PHE 4 N -2.73 1.69 -1.10 -0.53 5.36 -1.26 -4.82 117.98 114.59 1g91 s PHE 4 Ca 0.65 0.95 -0.05 0.00 -0.96 0.00 0.00 56.93 57.53 1g91 s PHE 4 Cb -0.21 -3.87 0.30 0.00 -0.34 0.00 0.00 43.02 38.90 1g91 s PHE 4 CO 0.59 -1.44 1.52 1.58 -1.46 0.00 0.00 175.22 176.01 1g91 n HIS 5 N 15.38 2.35 -0.13 10.12 -0.00 -1.26 -4.55 115.22 137.14 1g91 n HIS 5 Ca 0.43 -2.61 0.00 0.00 0.46 0.00 0.00 57.72 55.99 1g91 n HIS 5 Cb 0.46 -1.33 0.00 0.00 -0.12 0.00 0.00 29.99 29.00 1g91 n HIS 5 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1g91 n ALA 6 N 1.58 2.09 -0.05 1.57 0.00 -1.26 -4.67 120.51 119.77 1g91 n ALA 6 Ca 0.27 -0.58 -0.16 0.00 0.00 0.00 0.00 53.44 52.97 1g91 n ALA 6 Cb 0.33 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.65 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 -0.13 1.61 1.88 0.00 -2.24 -1.26 -3.99 114.28 110.15 1g91 n THR 7 Ca 0.00 -0.70 0.08 0.00 -2.27 0.00 0.00 64.05 61.16 1g91 n THR 7 Cb 0.11 -1.30 0.46 0.00 -2.10 0.00 0.00 70.33 67.50 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 -3.21 0.25 -3.11 3.42 2.88 -1.26 -4.85 113.62 107.73 1g91 n SER 8 Ca -0.32 -1.53 -0.17 0.00 -1.33 0.00 0.00 58.87 55.51 1g91 n SER 8 Cb 1.05 -0.02 0.15 0.00 -0.75 0.00 0.00 64.21 64.65 1g91 n SER 8 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1g91 n ALA 9 N -0.59 -2.31 -2.69 -1.46 0.00 -1.26 -5.03 120.51 107.17 1g91 n ALA 9 Ca 0.13 -0.91 -0.05 0.00 0.00 0.00 0.00 53.44 52.60 1g91 n ALA 9 Cb 0.09 -0.07 0.10 0.00 0.00 0.00 0.00 19.45 19.57 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 -4.26 -1.60 -3.31 0.00 -0.08 -1.26 -5.13 116.55 100.91 1g91 n ASP 10 Ca 0.08 -2.45 -0.23 0.00 -1.51 0.00 0.00 54.79 50.68 1g91 n ASP 10 Cb 0.34 1.38 0.19 0.00 2.34 0.00 0.00 41.12 45.37 1g91 n ASP 10 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1g91 h ILE 13 N 5.43 0.26 -3.40 0.00 2.10 -1.94 -3.45 117.51 116.51 1g91 h ILE 13 Ca -0.37 -1.49 -0.36 0.00 1.08 0.00 0.00 64.86 63.72 1g91 h ILE 13 Cb 1.18 1.81 -0.36 0.00 -1.09 0.00 0.00 36.82 38.36 1g91 h ILE 13 CO 0.57 0.15 -0.74 -0.44 -1.08 0.00 0.00 178.15 176.61 1g91 s SER 14 N -5.66 0.80 0.60 2.19 0.01 -1.26 -5.14 113.70 105.24 1g91 s SER 14 Ca -0.01 0.01 -0.12 0.00 1.31 0.00 0.00 55.95 57.14 1g91 s SER 14 Cb 0.09 -0.20 -0.05 0.00 0.21 0.00 0.00 66.02 66.07 1g91 s SER 14 CO 0.79 -0.17 1.02 -0.31 0.41 0.00 0.00 173.24 174.98 1g91 s TYR 15 N 1.57 3.57 0.21 2.43 2.02 -1.26 -4.89 117.35 121.01 1g91 s TYR 15 Ca -0.02 1.33 -0.32 0.00 -0.37 0.00 0.00 57.07 57.68 1g91 s TYR 15 Cb -0.13 -2.74 -0.12 0.00 -0.40 0.00 0.00 41.96 38.57 1g91 s TYR 15 CO -0.03 -0.65 1.66 -2.37 -1.57 0.00 0.00 175.55 172.59 1g91 n THR 16 N -2.54 0.19 -1.13 -0.71 5.66 -1.01 -4.83 114.28 109.90 1g91 n THR 16 Ca 0.06 -0.05 -0.27 0.00 -3.05 0.00 0.00 64.05 60.74 1g91 n THR 16 Cb 0.54 -1.86 -0.08 0.00 -1.55 0.00 0.00 70.33 67.38 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 3.51 2.90 -3.56 1.09 -0.04 -1.26 -4.80 135.00 132.85 1g91 n PRO 17 Ca 0.15 -1.67 -0.14 0.00 -0.04 0.00 0.00 63.50 61.80 1g91 n PRO 17 Cb 0.34 -2.46 -0.06 0.00 -0.04 0.00 0.00 33.50 31.28 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 1.84 0.83 -0.16 0.54 0.52 -1.26 -5.14 118.95 116.12 1g91 s ARG 18 Ca 0.65 0.27 -0.15 0.00 -0.52 0.00 0.00 55.73 55.98 1g91 s ARG 18 Cb 0.22 0.39 -0.04 0.00 0.52 0.00 0.00 34.95 36.04 1g91 s ARG 18 CO -0.04 -0.25 0.36 -1.54 0.02 0.00 0.00 175.30 173.86 1g91 s SER 19 N -1.00 6.48 -0.06 0.23 1.04 -1.26 -5.07 113.70 114.06 1g91 s SER 19 Ca -0.06 0.57 -0.00 0.00 0.48 0.00 0.00 55.95 56.93 1g91 s SER 19 Cb -0.01 -2.22 -0.03 0.00 0.10 0.00 0.00 66.02 63.87 1g91 s SER 19 CO 0.05 0.03 -0.02 -0.63 0.98 0.00 0.00 173.24 173.65 1g91 s ILE 20 N 0.73 4.08 0.16 -1.02 1.09 -1.26 -5.09 121.20 119.90 1g91 s ILE 20 Ca 0.19 -0.40 -0.30 0.00 -1.10 0.00 0.00 60.65 59.04 1g91 s ILE 20 Cb -0.14 -2.73 -0.07 0.00 -1.06 0.00 0.00 42.46 38.47 1g91 s ILE 20 CO 0.06 0.55 1.00 -2.16 -0.10 0.00 0.00 174.94 174.30 1g91 s PRO 21 N -1.01 4.69 0.58 2.79 0.04 -1.26 -4.92 135.00 135.91 1g91 s PRO 21 Ca 0.14 1.55 0.28 0.00 0.04 0.00 0.00 61.00 63.01 1g91 s PRO 21 Cb -0.11 -3.32 1.56 0.00 0.04 0.00 0.00 34.50 32.66 1g91 s PRO 21 CO 0.04 0.22 2.04 0.00 0.04 0.00 0.00 177.00 179.34 1g91 h SER 23 N 0.00 0.00 -0.55 0.00 0.02 -2.03 0.99 113.55 111.99 1g91 h SER 23 Ca 0.14 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.85 1g91 h SER 23 Cb 0.71 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.11 1g91 h SER 23 CO -0.00 0.00 0.16 -0.11 -1.14 0.00 0.00 176.83 175.74 1g91 n LEU 24 N -3.32 5.02 -4.17 5.07 -0.00 0.79 -4.95 117.00 115.44 1g91 n LEU 24 Ca -0.02 -3.53 -0.27 0.00 -0.00 0.00 0.00 56.01 52.19 1g91 n LEU 24 Cb 0.16 -0.69 -0.16 0.00 -0.00 0.00 0.00 43.42 42.74 1g91 n LEU 24 CO 0.22 1.04 -0.51 -0.76 -0.00 0.00 0.00 177.39 177.38 1g91 s LEU 25 N -3.15 1.97 -0.15 -1.96 1.43 0.34 -4.18 118.68 112.97 1g91 s LEU 25 Ca 0.49 -0.37 0.11 0.00 -1.03 0.00 0.00 54.13 53.32 1g91 s LEU 25 Cb 0.42 -1.03 -0.17 0.00 0.03 0.00 0.00 46.19 45.45 1g91 s LEU 25 CO 0.06 0.19 0.01 1.21 0.23 0.00 0.00 176.35 178.05 1g91 n GLU 26 N 2.97 1.46 -1.64 1.70 2.13 0.16 -4.73 120.64 122.69 1g91 n GLU 26 Ca -0.17 0.01 -0.01 0.00 0.66 0.00 0.00 57.16 57.65 1g91 n GLU 26 Cb 0.53 -1.36 0.01 0.00 0.27 0.00 0.00 31.44 30.88 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 -2.62 -0.42 -3.53 4.31 3.41 -1.18 -4.97 113.62 108.63 1g91 n SER 27 Ca -0.25 -1.28 -0.08 0.00 -0.26 0.00 0.00 58.87 57.01 1g91 n SER 27 Cb 0.94 0.70 -0.02 0.00 -0.26 0.00 0.00 64.21 65.56 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 -7.02 -0.31 0.21 7.33 1.13 -1.26 0.34 117.35 117.77 1g91 s TYR 28 Ca 0.03 0.25 -0.16 0.00 -1.41 0.00 0.00 57.07 55.78 1g91 s TYR 28 Cb -0.01 0.52 0.02 0.00 -1.10 0.00 0.00 41.96 41.39 1g91 s TYR 28 CO 0.02 -0.45 0.52 -0.59 -2.51 0.00 0.00 175.55 172.53 1g91 s PHE 29 N -2.70 -0.00 0.00 -3.49 -0.71 0.17 -4.95 117.98 106.30 1g91 s PHE 29 Ca 0.05 -0.36 -0.02 0.00 -1.04 0.00 0.00 56.93 55.56 1g91 s PHE 29 Cb -0.01 0.35 -0.04 0.00 -1.21 0.00 0.00 43.02 42.12 1g91 s PHE 29 CO -0.07 -0.95 0.16 -1.21 -1.34 0.00 0.00 175.22 171.82 1g91 s GLU 30 N -3.91 3.35 1.10 1.99 2.02 -1.26 0.50 118.70 122.49 1g91 s GLU 30 Ca 0.12 -0.38 -0.12 0.00 0.02 0.00 0.00 54.97 54.62 1g91 s GLU 30 Cb -0.01 -3.03 0.25 0.00 0.10 0.00 0.00 34.13 31.43 1g91 s GLU 30 CO 0.00 0.66 1.06 0.95 0.02 0.00 0.00 175.26 177.95 1g91 s THR 31 N -1.32 2.03 0.09 3.63 -4.23 -0.98 -4.83 115.64 110.03 1g91 s THR 31 Ca 0.27 0.01 -0.33 0.00 -1.18 0.00 0.00 61.69 60.46 1g91 s THR 31 Cb -0.13 -2.04 -0.13 0.00 1.34 0.00 0.00 72.50 71.55 1g91 s THR 31 CO 0.19 -0.01 1.72 0.59 -0.54 0.00 0.00 174.62 176.57 1g91 n ASN 32 N -4.76 3.42 0.33 3.99 4.13 -1.26 -4.78 115.26 116.33 1g91 n ASN 32 Ca 0.05 1.03 0.20 0.00 1.68 0.00 0.00 54.58 57.54 1g91 n ASN 32 Cb 0.53 -1.44 1.05 0.00 -1.54 0.00 0.00 39.78 38.38 1g91 n ASN 32 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 1g91 h SER 33 N 7.37 0.00 -0.53 6.41 0.02 -2.00 -1.57 113.55 123.26 1g91 h SER 33 Ca -0.46 0.00 0.15 0.00 -0.84 0.00 0.00 61.79 60.64 1g91 h SER 33 Cb 1.25 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.77 1g91 h SER 33 CO 0.92 0.00 0.67 -0.33 -1.14 0.00 0.00 176.83 176.95 1g91 h GLU 34 N 0.00 0.00 -6.63 3.45 4.39 -2.00 -3.39 114.58 110.40 1g91 h GLU 34 Ca 0.01 0.00 -0.51 0.00 0.34 0.00 0.00 59.36 59.20 1g91 h GLU 34 Cb 0.28 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.90 1g91 h GLU 34 CO -0.00 0.00 0.23 0.00 -1.16 0.00 0.00 179.01 178.08 1g91 h SER 36 N 3.95 0.20 -3.81 0.00 0.87 -1.90 -3.36 113.55 109.50 1g91 h SER 36 Ca -0.47 -0.05 -0.66 0.00 -1.23 0.00 0.00 61.79 59.38 1g91 h SER 36 Cb 1.20 -0.05 -0.40 0.00 -0.44 0.00 0.00 62.40 62.71 1g91 h SER 36 CO 0.66 0.43 -0.68 -0.54 -0.53 0.00 0.00 176.83 176.18 1g91 s LYS 37 N -4.54 1.65 0.00 2.24 -0.14 -1.26 -5.10 119.74 112.59 1g91 s LYS 37 Ca -0.05 -2.03 0.00 0.00 -1.36 0.00 0.00 55.97 52.53 1g91 s LYS 37 Cb 0.15 -3.28 0.00 0.00 -1.68 0.00 0.00 37.83 33.02 1g91 s LYS 37 CO 0.74 -0.99 0.00 -0.35 -0.76 0.00 0.00 175.35 173.99 1g91 n PRO 38 N 4.04 -0.26 -3.88 -1.68 -0.04 -1.26 -4.80 135.00 127.12 1g91 n PRO 38 Ca 0.04 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.47 1g91 n PRO 38 Cb 0.40 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 33.88 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 4.24 0.55 3.26 0.55 0.00 -1.26 -4.95 105.19 107.58 1g91 n GLY 39 Ca 0.00 -1.14 -0.33 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.05 2.66 -0.29 1.61 1.01 -1.03 -2.33 120.40 119.98 1g91 s VAL 40 Ca 0.24 -0.77 -0.09 0.00 0.00 0.00 0.00 61.98 61.36 1g91 s VAL 40 Cb -0.03 -2.12 -0.01 0.00 0.00 0.00 0.00 36.38 34.22 1g91 s VAL 40 CO 0.05 0.51 0.12 -0.63 0.00 0.00 0.00 175.10 175.15 1g91 s ILE 41 N 0.81 4.43 -0.10 2.22 1.01 0.18 0.19 121.20 129.94 1g91 s ILE 41 Ca -0.05 -0.40 -0.14 0.00 0.00 0.00 0.00 60.65 60.05 1g91 s ILE 41 Cb -0.15 -3.22 -0.05 0.00 0.01 0.00 0.00 42.46 39.05 1g91 s ILE 41 CO -0.00 0.14 0.35 -0.36 0.00 0.00 0.00 174.94 175.06 1g91 s PHE 42 N 1.59 3.57 0.07 3.97 0.40 -0.40 -0.66 117.98 126.52 1g91 s PHE 42 Ca 0.05 0.77 0.00 0.00 -0.60 0.00 0.00 56.93 57.15 1g91 s PHE 42 Cb -0.17 -2.33 -0.04 0.00 0.51 0.00 0.00 43.02 41.00 1g91 s PHE 42 CO 0.05 0.40 0.21 -1.17 0.70 0.00 0.00 175.22 175.40 1g91 s LEU 43 N -0.12 4.31 0.59 -0.37 2.96 0.15 -2.15 118.68 124.05 1g91 s LEU 43 Ca 0.20 0.24 0.04 0.00 -0.22 0.00 0.00 54.13 54.39 1g91 s LEU 43 Cb -0.14 -2.91 0.07 0.00 0.50 0.00 0.00 46.19 43.70 1g91 s LEU 43 CO 0.08 0.16 0.82 0.42 -1.32 0.00 0.00 176.35 176.51 1g91 s THR 44 N -1.52 2.42 -0.74 3.68 -4.23 0.12 0.39 115.64 115.76 1g91 s THR 44 Ca 0.34 -0.78 0.26 0.00 -1.18 0.00 0.00 61.69 60.34 1g91 s THR 44 Cb -0.13 -2.65 0.28 0.00 1.34 0.00 0.00 72.50 71.35 1g91 s THR 44 CO 0.28 0.00 1.78 1.17 -0.54 0.00 0.00 174.62 177.30 1g91 n LYS 45 N -2.40 0.25 0.00 3.99 4.81 -1.26 -4.08 118.16 119.47 1g91 n LYS 45 Ca 0.12 0.21 0.00 0.00 -0.87 0.00 0.00 58.31 57.77 1g91 n LYS 45 Cb 0.60 -1.79 0.00 0.00 0.02 0.00 0.00 35.03 33.86 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 -2.24 0.00 0.00 1.64 5.02 -1.26 -5.00 118.16 116.32 1g91 n LYS 46 Ca 0.06 0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.51 1g91 n LYS 46 Cb 0.43 -0.66 0.00 0.00 -0.02 0.00 0.00 35.03 34.78 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 1.67 0.00 3.33 0.72 0.00 -1.26 -5.16 105.19 104.48 1g91 n GLY 47 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 1.27 -0.11 1.61 3.52 -1.26 -4.95 118.95 119.03 1g91 s ARG 48 Ca 0.00 -1.48 -0.21 0.00 -0.13 0.00 0.00 55.73 53.91 1g91 s ARG 48 Cb 0.00 -1.15 0.05 0.00 -1.56 0.00 0.00 34.95 32.29 1g91 s ARG 48 CO 0.00 0.21 0.50 -0.98 -0.81 0.00 0.00 175.30 174.22 1g91 s ARG 49 N -3.25 0.74 -0.13 5.12 1.70 -1.26 0.15 118.95 122.02 1g91 s ARG 49 Ca 0.18 0.34 -0.16 0.00 -0.47 0.00 0.00 55.73 55.63 1g91 s ARG 49 Cb -0.03 0.35 0.04 0.00 -0.57 0.00 0.00 34.95 34.74 1g91 s ARG 49 CO 0.06 -0.17 0.43 -0.59 -1.08 0.00 0.00 175.30 173.95 1g91 s PHE 50 N -0.56 -0.43 0.55 5.89 -0.71 -0.91 -4.95 117.98 116.85 1g91 s PHE 50 Ca -0.07 1.00 -0.16 0.00 -1.04 0.00 0.00 56.93 56.66 1g91 s PHE 50 Cb -0.03 0.17 -0.06 0.00 -1.21 0.00 0.00 43.02 41.89 1g91 s PHE 50 CO 0.04 -0.28 1.03 0.00 -1.34 0.00 0.00 175.22 174.67 1g91 s ALA 52 N -2.48 0.97 0.12 0.00 0.00 0.49 -2.40 121.76 118.45 1g91 s ALA 52 Ca 0.62 -1.49 -0.27 0.00 0.00 0.00 0.00 51.96 50.82 1g91 s ALA 52 Cb -0.14 0.74 -0.07 0.00 0.00 0.00 0.00 23.12 23.66 1g91 s ALA 52 CO 0.33 -0.44 0.85 1.21 0.00 0.00 0.00 175.76 177.72 1g91 s ASN 53 N -3.07 7.40 0.00 0.00 3.84 -1.26 -2.47 114.94 119.37 1g91 s ASN 53 Ca 0.23 1.67 0.26 0.00 0.21 0.00 0.00 52.86 55.22 1g91 s ASN 53 Cb 0.07 -2.53 1.54 0.00 -0.55 0.00 0.00 41.25 39.79 1g91 s ASN 53 CO 0.02 0.06 1.90 -0.81 -2.79 0.00 0.00 177.10 175.48 1g91 n PRO 54 N 2.32 0.81 0.00 0.43 -0.04 -1.26 -2.58 135.00 134.68 1g91 n PRO 54 Ca -0.02 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.56 1g91 n PRO 54 Cb 0.49 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.56 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 -1.00 1.85 -4.62 3.54 7.64 -1.26 -4.85 113.62 114.93 1g91 n SER 55 Ca 0.19 -1.40 -0.43 0.00 1.01 0.00 0.00 58.87 58.24 1g91 n SER 55 Cb 0.09 0.35 -0.02 0.00 -1.01 0.00 0.00 64.21 63.62 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 -2.44 6.62 0.40 6.43 2.15 -1.07 -4.87 116.67 123.90 1g91 s ASP 56 Ca 0.21 0.92 0.16 0.00 0.43 0.00 0.00 52.55 54.27 1g91 s ASP 56 Cb 0.19 -2.54 1.03 0.00 -0.30 0.00 0.00 42.92 41.29 1g91 s ASP 56 CO 0.54 -1.17 1.84 0.07 -0.17 0.00 0.00 175.17 176.27 1g91 h LYS 57 N 9.42 0.45 0.00 4.34 -0.00 -1.91 0.63 116.57 129.50 1g91 h LYS 57 Ca -0.25 -0.03 -0.04 0.00 -0.00 0.00 0.00 60.65 60.33 1g91 h LYS 57 Cb 1.08 -0.10 -0.01 0.00 -0.00 0.00 0.00 32.23 33.21 1g91 h LYS 57 CO 1.07 0.30 -0.20 1.96 -0.00 0.00 0.00 179.45 182.57 1g91 h GLN 58 N 0.46 0.00 -0.17 0.07 4.20 -1.97 -0.95 115.11 116.76 1g91 h GLN 58 Ca 0.49 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.99 1g91 h GLN 58 Cb 1.13 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.92 1g91 h GLN 58 CO -0.21 0.20 -0.71 0.28 -0.67 0.00 0.00 178.83 177.73 1g91 h VAL 59 N 0.00 1.29 -0.17 -0.54 2.07 -0.06 -1.50 116.25 117.33 1g91 h VAL 59 Ca -0.00 -1.91 -0.15 0.00 0.82 0.00 0.00 66.70 65.46 1g91 h VAL 59 Cb 0.39 1.96 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 1g91 h VAL 59 CO 0.03 0.61 -0.52 1.56 0.02 0.00 0.00 177.57 179.26 1g91 h GLN 60 N 0.50 0.49 0.00 1.57 4.20 -1.03 -2.30 115.11 118.54 1g91 h GLN 60 Ca -0.04 -0.29 -0.04 0.00 0.06 0.00 0.00 58.65 58.34 1g91 h GLN 60 Cb 1.34 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 29.14 1g91 h GLN 60 CO 0.15 0.89 -0.19 0.28 -0.67 0.00 0.00 178.83 179.28 1g91 h VAL 61 N 0.38 0.39 0.12 -0.54 2.07 -1.17 -3.11 116.25 114.39 1g91 h VAL 61 Ca 0.01 -1.21 -0.27 0.00 0.82 0.00 0.00 66.70 66.05 1g91 h VAL 61 Cb 1.04 1.91 0.00 0.00 -1.52 0.00 0.00 31.29 32.72 1g91 h VAL 61 CO 0.09 0.19 -1.22 0.00 0.02 0.00 0.00 177.57 176.65 1g91 h MET 63 N 0.08 0.00 0.00 0.00 3.00 -1.35 0.18 114.93 116.84 1g91 h MET 63 Ca -0.13 0.00 -0.09 0.00 0.00 0.00 0.00 59.70 59.48 1g91 h MET 63 Cb 1.95 0.00 -0.01 0.00 0.00 0.00 0.00 31.60 33.53 1g91 h MET 63 CO 0.20 0.04 -0.43 0.00 0.00 0.00 0.00 176.91 176.72 1g91 h ARG 64 N 0.00 0.00 0.05 -0.10 3.08 -1.60 -2.71 114.38 113.11 1g91 h ARG 64 Ca -0.00 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.72 1g91 h ARG 64 Cb 0.12 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.13 1g91 h ARG 64 CO 0.01 0.43 -1.90 -0.12 -1.07 0.00 0.00 179.97 177.32 1g91 n MET 65 N -3.45 0.69 0.13 0.04 1.56 -0.17 -3.88 117.12 112.04 1g91 n MET 65 Ca 0.00 0.26 0.12 0.00 -0.27 0.00 0.00 57.70 57.82 1g91 n MET 65 Cb 0.58 -1.73 0.48 0.00 2.15 0.00 0.00 33.22 34.70 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 -3.21 0.72 0.45 -0.89 4.77 -0.13 -3.39 117.00 115.32 1g91 n LEU 66 Ca -0.25 0.66 -0.19 0.00 -0.03 0.00 0.00 56.01 56.19 1g91 n LEU 66 Cb 1.05 -0.54 -0.09 0.00 -2.33 0.00 0.00 43.42 41.51 1g91 n LEU 66 CO 0.43 -0.51 0.59 0.50 -1.33 0.00 0.00 177.39 177.07 1g91 h LYS 67 N 0.00 -1.09 -2.46 3.23 1.63 -1.59 -2.90 116.57 113.38 1g91 h LYS 67 Ca 0.00 0.07 -0.42 0.00 -0.85 0.00 0.00 60.65 59.46 1g91 h LYS 67 Cb 0.43 0.25 -0.03 0.00 -0.60 0.00 0.00 32.23 32.28 1g91 h LYS 67 CO 0.00 -0.73 1.59 1.28 -3.45 0.00 0.00 179.45 178.14 1g91 n LEU 68 N -5.58 6.90 0.00 5.20 4.77 -1.22 -4.73 117.00 122.35 1g91 n LEU 68 Ca -0.15 -3.75 0.00 0.00 -0.03 0.00 0.00 56.01 52.08 1g91 n LEU 68 Cb 0.45 -1.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.06 1g91 n LEU 68 CO 0.39 1.88 0.00 0.47 -1.33 0.00 0.00 177.39 178.81 1g91 n ASP 69 N 2.96 0.00 0.00 -1.43 8.00 -1.10 -5.03 116.55 119.95 1g91 n ASP 69 Ca 0.60 0.01 0.00 0.00 0.71 0.00 0.00 54.79 56.11 1g91 n ASP 69 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.69 1g91 n ASP 69 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1g91 n THR 70 N -0.01 0.00 -2.30 -3.53 -1.04 -1.26 -4.95 114.28 101.19 1g91 n THR 70 Ca 0.00 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 61.83 1g91 n THR 70 Cb 0.00 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.49 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 0.00 -1.83 -1.16 -2.82 3.00 -1.26 -4.79 116.66 107.80 1g91 n ARG 71 Ca 0.00 0.87 0.03 0.00 -0.00 0.00 0.00 57.85 58.75 1g91 n ARG 71 Cb 0.00 -5.47 0.01 0.00 0.00 0.00 0.00 32.46 27.00 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 -3.56 0.00 -3.26 5.15 -5.35 -1.26 -4.99 119.36 106.09 1g91 n ILE 72 Ca -0.20 -0.65 -0.45 0.00 -0.27 0.00 0.00 62.75 61.17 1g91 n ILE 72 Cb 0.65 0.83 -0.01 0.00 -1.74 0.00 0.00 39.64 39.37 1g91 n ILE 72 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1g91 s LYS 73 N 0.00 3.98 0.57 6.28 3.01 -1.26 -4.85 119.74 127.47 1g91 s LYS 73 Ca 0.22 -2.83 0.36 0.00 -1.01 0.00 0.00 55.97 52.71 1g91 s LYS 73 Cb 0.26 -4.61 1.41 0.00 -1.01 0.00 0.00 37.83 33.88 1g91 s LYS 73 CO -0.11 -1.35 1.63 0.00 0.51 0.00 0.00 175.35 176.03 1g91 h THR 74 N 4.25 0.19 -4.77 2.17 1.03 -2.00 -3.45 112.91 110.33 1g91 h THR 74 Ca 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.57 1g91 h THR 74 Cb 0.93 0.25 0.00 0.00 -1.07 0.00 0.00 68.15 68.26 1g91 h THR 74 CO 0.97 0.00 -0.31 -1.14 -0.01 0.00 0.00 175.52 175.03 1g91 n ARG 75 N -3.77 -1.69 0.00 0.00 0.63 -1.26 -4.96 116.66 105.62 1g91 n ARG 75 Ca 0.26 1.67 0.00 0.00 -0.92 0.00 0.00 57.85 58.85 1g91 n ARG 75 Cb 1.39 -4.75 0.00 0.00 0.45 0.00 0.00 32.46 29.55 1g91 n ARG 75 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1g91 n LYS 76 N -0.58 0.00 0.00 -0.14 5.02 -1.26 -5.31 118.16 115.88 1g91 n LYS 76 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 1g91 n LYS 76 Cb 0.38 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.39 1g91 n LYS 76 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17