#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 2.50 -1.39 7.83 -4.77 -1.26 -5.05 116.67 114.53 1g91 s ASP 2 Ca 0.00 -0.62 -0.16 0.00 -3.30 0.00 0.00 52.55 48.47 1g91 s ASP 2 Cb 0.00 -0.47 0.05 0.00 -1.09 0.00 0.00 42.92 41.41 1g91 s ASP 2 CO 0.00 -0.30 2.04 -1.14 0.70 0.00 0.00 175.17 176.47 1g91 n ARG 3 N 5.13 2.97 -2.72 2.11 0.63 -1.26 -4.49 116.66 119.04 1g91 n ARG 3 Ca -0.08 -2.86 -0.06 0.00 -0.92 0.00 0.00 57.85 53.94 1g91 n ARG 3 Cb 0.48 -3.37 0.06 0.00 0.45 0.00 0.00 32.46 30.08 1g91 n ARG 3 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1g91 n PHE 4 N 7.02 0.24 -3.30 -0.14 7.35 -1.26 -5.00 117.46 122.36 1g91 n PHE 4 Ca 0.51 -2.36 -0.23 0.00 -0.76 0.00 0.00 57.45 54.60 1g91 n PHE 4 Cb 0.42 0.19 -0.08 0.00 0.35 0.00 0.00 39.48 40.35 1g91 n PHE 4 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 1g91 s HIS 5 N -2.42 0.53 -0.27 -5.13 3.76 -1.26 -5.10 115.29 105.40 1g91 s HIS 5 Ca 0.24 -1.88 -0.29 0.00 -0.15 0.00 0.00 55.06 52.98 1g91 s HIS 5 Cb 0.41 -0.69 0.00 0.00 1.11 0.00 0.00 32.58 33.42 1g91 s HIS 5 CO -0.02 -0.91 1.22 0.00 -0.85 0.00 0.00 174.74 174.18 1g91 s ALA 6 N 0.39 3.48 -0.10 -1.40 0.00 -1.26 -5.00 121.76 117.87 1g91 s ALA 6 Ca 0.30 0.14 0.01 0.00 0.00 0.00 0.00 51.96 52.41 1g91 s ALA 6 Cb -0.01 -3.70 0.02 0.00 0.00 0.00 0.00 23.12 19.43 1g91 s ALA 6 CO -0.14 -1.53 -0.12 0.99 0.00 0.00 0.00 175.76 174.96 1g91 s THR 7 N 3.93 1.28 -1.86 0.00 2.01 -1.26 -4.99 115.64 114.76 1g91 s THR 7 Ca 0.52 -0.50 0.11 0.00 0.31 0.00 0.00 61.69 62.14 1g91 s THR 7 Cb -0.16 -1.21 0.35 0.00 0.01 0.00 0.00 72.50 71.48 1g91 s THR 7 CO 0.18 0.40 1.27 -1.54 -0.69 0.00 0.00 174.62 174.24 1g91 n SER 8 N 4.39 2.19 -4.54 3.53 3.41 -1.26 -4.89 113.62 116.45 1g91 n SER 8 Ca -0.18 -2.05 -0.25 0.00 -0.26 0.00 0.00 58.87 56.14 1g91 n SER 8 Cb 0.51 -0.29 0.13 0.00 -0.26 0.00 0.00 64.21 64.30 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 -1.53 3.51 -0.43 7.33 0.00 -1.26 -5.07 121.76 124.31 1g91 s ALA 9 Ca 0.26 -1.78 0.02 0.00 0.00 0.00 0.00 51.96 50.46 1g91 s ALA 9 Cb 0.14 -2.06 0.13 0.00 0.00 0.00 0.00 23.12 21.33 1g91 s ALA 9 CO 0.16 -1.72 0.21 0.34 0.00 0.00 0.00 175.76 174.75 1g91 s ASP 10 N -4.82 3.99 0.56 0.00 2.15 -1.26 -5.07 116.67 112.21 1g91 s ASP 10 Ca 0.69 -2.56 0.02 0.00 0.43 0.00 0.00 52.55 51.13 1g91 s ASP 10 Cb -0.04 -1.24 0.05 0.00 -0.30 0.00 0.00 42.92 41.39 1g91 s ASP 10 CO 0.46 -0.29 0.78 0.00 -0.17 0.00 0.00 175.17 175.96 1g91 n ILE 13 N 4.82 0.97 -3.63 0.00 0.13 -1.26 -4.92 119.36 115.47 1g91 n ILE 13 Ca -0.16 -0.64 -0.11 0.00 -1.10 0.00 0.00 62.75 60.74 1g91 n ILE 13 Cb 0.49 -0.59 -0.07 0.00 -0.84 0.00 0.00 39.64 38.63 1g91 n ILE 13 CO 0.00 0.00 0.00 -0.44 2.80 0.00 0.00 176.55 178.91 1g91 s SER 14 N -5.62 -0.80 0.37 9.51 0.01 -1.26 -5.16 113.70 110.75 1g91 s SER 14 Ca -0.02 1.44 -0.04 0.00 1.31 0.00 0.00 55.95 58.64 1g91 s SER 14 Cb 0.09 1.42 -0.04 0.00 0.21 0.00 0.00 66.02 67.70 1g91 s SER 14 CO 0.80 -0.24 0.64 -0.31 0.41 0.00 0.00 173.24 174.54 1g91 s TYR 15 N 0.80 3.50 -0.25 2.43 2.02 -1.26 -4.56 117.35 120.03 1g91 s TYR 15 Ca -0.03 0.66 -0.31 0.00 -0.37 0.00 0.00 57.07 57.02 1g91 s TYR 15 Cb -0.05 -2.14 -0.07 0.00 -0.40 0.00 0.00 41.96 39.29 1g91 s TYR 15 CO -0.06 0.01 2.20 -2.37 -1.57 0.00 0.00 175.55 173.76 1g91 n THR 16 N -1.53 0.31 -1.27 -0.71 5.66 -0.89 -4.81 114.28 111.04 1g91 n THR 16 Ca -0.01 -0.38 -0.36 0.00 -3.05 0.00 0.00 64.05 60.24 1g91 n THR 16 Cb 0.55 -2.26 -0.02 0.00 -1.55 0.00 0.00 70.33 67.05 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 8.50 3.03 -3.63 1.09 -0.04 -1.26 -4.79 135.00 137.89 1g91 n PRO 17 Ca 0.33 -2.10 -0.12 0.00 -0.04 0.00 0.00 63.50 61.57 1g91 n PRO 17 Cb 0.37 -2.84 -0.07 0.00 -0.04 0.00 0.00 33.50 30.93 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 2.85 0.77 -0.44 0.54 0.52 -1.26 -5.11 118.95 116.83 1g91 s ARG 18 Ca 0.58 1.00 -0.28 0.00 -0.52 0.00 0.00 55.73 56.51 1g91 s ARG 18 Cb 0.15 0.33 0.00 0.00 0.52 0.00 0.00 34.95 35.95 1g91 s ARG 18 CO -0.05 -0.11 1.54 -1.12 0.02 0.00 0.00 175.30 175.59 1g91 s SER 19 N 0.66 6.10 -0.10 0.23 0.01 -1.26 -4.98 113.70 114.37 1g91 s SER 19 Ca -0.02 0.80 -0.06 0.00 1.31 0.00 0.00 55.95 57.98 1g91 s SER 19 Cb -0.05 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.60 1g91 s SER 19 CO -0.05 -1.63 0.13 -0.63 0.41 0.00 0.00 173.24 171.48 1g91 s ILE 20 N 6.19 5.38 0.08 1.44 1.09 -1.26 -5.07 121.20 129.05 1g91 s ILE 20 Ca 0.64 0.10 -0.30 0.00 -1.10 0.00 0.00 60.65 59.99 1g91 s ILE 20 Cb -0.15 -3.37 -0.05 0.00 -1.06 0.00 0.00 42.46 37.83 1g91 s ILE 20 CO 0.31 0.56 1.04 -2.16 -0.10 0.00 0.00 174.94 174.59 1g91 s PRO 21 N -1.19 4.58 0.41 2.79 0.04 -1.26 -4.90 135.00 135.46 1g91 s PRO 21 Ca 0.17 1.56 0.25 0.00 0.04 0.00 0.00 61.00 63.02 1g91 s PRO 21 Cb -0.12 -3.38 1.38 0.00 0.04 0.00 0.00 34.50 32.42 1g91 s PRO 21 CO 0.07 0.00 1.76 0.00 0.04 0.00 0.00 177.00 178.87 1g91 n SER 23 N -2.42 0.00 -1.23 0.00 7.64 -1.26 -2.79 113.62 113.56 1g91 n SER 23 Ca -0.02 0.45 -0.00 0.00 1.01 0.00 0.00 58.87 60.31 1g91 n SER 23 Cb 0.10 -0.48 0.24 0.00 -1.01 0.00 0.00 64.21 63.06 1g91 n SER 23 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1g91 n LEU 24 N -1.48 4.45 -4.24 -3.43 -0.00 0.79 -4.97 117.00 108.12 1g91 n LEU 24 Ca 0.06 -3.38 -0.25 0.00 -0.00 0.00 0.00 56.01 52.44 1g91 n LEU 24 Cb 0.27 -0.63 -0.14 0.00 -0.00 0.00 0.00 43.42 42.92 1g91 n LEU 24 CO 0.22 0.94 -0.52 -0.76 -0.00 0.00 0.00 177.39 177.27 1g91 s LEU 25 N -3.05 2.15 -0.12 -1.96 1.43 -1.12 -3.75 118.68 112.26 1g91 s LEU 25 Ca 0.46 -0.49 0.16 0.00 -1.03 0.00 0.00 54.13 53.22 1g91 s LEU 25 Cb 0.39 -0.96 -0.23 0.00 0.03 0.00 0.00 46.19 45.42 1g91 s LEU 25 CO 0.06 0.17 0.16 -0.62 0.23 0.00 0.00 176.35 176.35 1g91 n GLU 26 N 1.96 1.03 -3.61 1.70 1.02 0.18 -4.81 120.64 118.10 1g91 n GLU 26 Ca -0.17 -0.06 -0.02 0.00 -0.02 0.00 0.00 57.16 56.90 1g91 n GLU 26 Cb 0.53 -1.43 -0.02 0.00 -0.02 0.00 0.00 31.44 30.50 1g91 n GLU 26 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1g91 s SER 27 N -4.78 -0.06 0.08 1.62 0.01 -1.18 -5.01 113.70 104.38 1g91 s SER 27 Ca -0.08 -0.02 -0.07 0.00 1.31 0.00 0.00 55.95 57.10 1g91 s SER 27 Cb 0.07 0.07 -0.01 0.00 0.21 0.00 0.00 66.02 66.36 1g91 s SER 27 CO 0.71 -0.12 0.13 -0.72 0.41 0.00 0.00 173.24 173.66 1g91 s TYR 28 N -2.20 0.24 0.36 2.43 1.13 -1.26 0.11 117.35 118.16 1g91 s TYR 28 Ca 0.12 -0.68 -0.17 0.00 -1.41 0.00 0.00 57.07 54.93 1g91 s TYR 28 Cb 0.01 -0.14 0.06 0.00 -1.10 0.00 0.00 41.96 40.79 1g91 s TYR 28 CO -0.04 -0.49 0.83 -0.59 -2.51 0.00 0.00 175.55 172.75 1g91 s PHE 29 N -3.77 0.12 0.19 -3.49 -0.71 -0.38 -4.94 117.98 104.99 1g91 s PHE 29 Ca 0.05 -0.77 -0.07 0.00 -1.04 0.00 0.00 56.93 55.10 1g91 s PHE 29 Cb 0.05 0.82 -0.06 0.00 -1.21 0.00 0.00 43.02 42.62 1g91 s PHE 29 CO -0.10 -1.49 0.47 -1.21 -1.34 0.00 0.00 175.22 171.55 1g91 s GLU 30 N -2.24 3.72 0.96 1.99 2.02 -1.26 0.99 118.70 124.88 1g91 s GLU 30 Ca 0.17 0.11 -0.16 0.00 0.02 0.00 0.00 54.97 55.10 1g91 s GLU 30 Cb -0.05 -2.74 0.25 0.00 0.10 0.00 0.00 34.13 31.68 1g91 s GLU 30 CO 0.11 0.39 0.64 0.25 0.02 0.00 0.00 175.26 176.67 1g91 n THR 31 N -0.02 0.00 -1.99 3.63 -2.24 -1.00 -4.84 114.28 107.83 1g91 n THR 31 Ca -0.01 -0.10 -0.41 0.00 -2.27 0.00 0.00 64.05 61.26 1g91 n THR 31 Cb 0.52 -0.83 -0.02 0.00 -2.10 0.00 0.00 70.33 67.91 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 -3.00 6.61 0.22 3.42 -0.87 -1.26 -4.87 114.94 115.19 1g91 s ASN 32 Ca 0.47 2.79 0.24 0.00 -1.57 0.00 0.00 52.86 54.79 1g91 s ASN 32 Cb -0.07 -2.65 0.92 0.00 -0.02 0.00 0.00 41.25 39.43 1g91 s ASN 32 CO 0.38 -0.68 1.73 -0.24 -2.57 0.00 0.00 177.10 175.71 1g91 n SER 33 N 1.14 0.66 0.00 -1.22 2.88 -1.26 -2.40 113.62 113.42 1g91 n SER 33 Ca 0.02 0.62 0.10 0.00 -1.33 0.00 0.00 58.87 58.28 1g91 n SER 33 Cb 0.40 -0.78 0.45 0.00 -0.75 0.00 0.00 64.21 63.53 1g91 n SER 33 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1g91 n GLU 34 N -2.19 0.07 -1.64 -1.46 -0.58 -1.26 -4.78 120.64 108.80 1g91 n GLU 34 Ca 0.03 0.14 -0.30 0.00 -0.42 0.00 0.00 57.16 56.62 1g91 n GLU 34 Cb 0.29 -1.50 0.08 0.00 -0.57 0.00 0.00 31.44 29.74 1g91 n GLU 34 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1g91 h SER 36 N -0.94 0.67 -3.77 0.00 0.02 -1.89 -3.45 113.55 104.18 1g91 h SER 36 Ca -0.46 -0.86 -0.68 0.00 -0.84 0.00 0.00 61.79 58.95 1g91 h SER 36 Cb 1.26 -0.21 -0.20 0.00 0.14 0.00 0.00 62.40 63.39 1g91 h SER 36 CO 0.60 1.46 -0.72 -0.54 -1.14 0.00 0.00 176.83 176.49 1g91 s LYS 37 N -2.83 2.60 0.95 3.45 1.02 -1.26 -5.12 119.74 118.55 1g91 s LYS 37 Ca -0.12 -0.65 -0.15 0.00 0.02 0.00 0.00 55.97 55.07 1g91 s LYS 37 Cb 0.03 -2.49 0.18 0.00 -0.52 0.00 0.00 37.83 35.03 1g91 s LYS 37 CO 0.88 0.63 1.26 -1.25 -0.92 0.00 0.00 175.35 175.96 1g91 s PRO 38 N -0.95 0.73 0.00 -1.68 0.04 -1.26 -4.61 135.00 127.27 1g91 s PRO 38 Ca 0.13 -0.24 0.00 0.00 0.04 0.00 0.00 61.00 60.94 1g91 s PRO 38 Cb -0.11 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.59 1g91 s PRO 38 CO 0.03 -2.38 0.00 0.41 0.04 0.00 0.00 177.00 175.10 1g91 n GLY 39 N -3.31 0.34 3.54 0.56 0.00 -1.26 -4.81 105.19 100.24 1g91 n GLY 39 Ca 0.13 -0.87 -0.31 0.00 0.00 0.00 0.00 46.02 44.97 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 3.22 -0.22 1.61 1.01 -0.82 -2.36 120.40 120.83 1g91 s VAL 40 Ca 0.00 -1.12 0.01 0.00 0.00 0.00 0.00 61.98 60.87 1g91 s VAL 40 Cb 0.00 -2.43 0.03 0.00 0.00 0.00 0.00 36.38 33.99 1g91 s VAL 40 CO 0.00 0.26 -0.14 -0.63 0.00 0.00 0.00 175.10 174.59 1g91 s ILE 41 N -1.05 2.31 -0.21 2.22 -1.09 0.28 0.12 121.20 123.78 1g91 s ILE 41 Ca 0.18 -1.15 -0.15 0.00 -2.23 0.00 0.00 60.65 57.30 1g91 s ILE 41 Cb -0.11 -2.14 -0.04 0.00 -1.58 0.00 0.00 42.46 38.59 1g91 s ILE 41 CO 0.09 0.29 0.34 -0.36 -1.23 0.00 0.00 174.94 174.07 1g91 s PHE 42 N 1.25 3.36 -0.17 3.97 0.40 0.09 -1.25 117.98 125.64 1g91 s PHE 42 Ca -0.00 0.52 -0.10 0.00 -0.60 0.00 0.00 56.93 56.75 1g91 s PHE 42 Cb -0.16 -2.46 -0.05 0.00 0.51 0.00 0.00 43.02 40.87 1g91 s PHE 42 CO -0.08 0.02 0.16 -1.17 0.70 0.00 0.00 175.22 174.84 1g91 s LEU 43 N 1.22 4.27 0.46 -0.37 0.20 0.31 -2.12 118.68 122.66 1g91 s LEU 43 Ca 0.16 0.34 0.08 0.00 0.69 0.00 0.00 54.13 55.41 1g91 s LEU 43 Cb -0.14 -2.13 0.02 0.00 -0.43 0.00 0.00 46.19 43.51 1g91 s LEU 43 CO 0.07 0.23 0.57 0.42 -0.29 0.00 0.00 176.35 177.35 1g91 s THR 44 N -0.01 2.63 -2.00 3.68 -4.23 0.11 0.47 115.64 116.28 1g91 s THR 44 Ca 0.11 -1.11 0.12 0.00 -1.18 0.00 0.00 61.69 59.64 1g91 s THR 44 Cb -0.12 -2.74 0.35 0.00 1.34 0.00 0.00 72.50 71.33 1g91 s THR 44 CO 0.01 0.00 1.47 1.17 -0.54 0.00 0.00 174.62 176.72 1g91 n LYS 45 N -1.87 1.02 -1.14 3.99 3.00 -1.25 -3.34 118.16 118.57 1g91 n LYS 45 Ca 0.08 -0.03 -0.13 0.00 -0.00 0.00 0.00 58.31 58.24 1g91 n LYS 45 Cb 0.61 -1.19 0.15 0.00 0.00 0.00 0.00 35.03 34.59 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 -0.66 2.31 -2.13 1.64 4.01 -1.26 -4.90 118.16 117.18 1g91 n LYS 46 Ca 0.09 -3.42 -0.16 0.00 -0.51 0.00 0.00 58.31 54.31 1g91 n LYS 46 Cb 0.05 -1.98 -0.03 0.00 -0.51 0.00 0.00 35.03 32.57 1g91 n LYS 46 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1g91 n GLY 47 N -1.02 0.14 3.51 0.72 0.00 -1.21 -4.94 105.19 102.39 1g91 n GLY 47 Ca 0.39 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.08 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 -4.52 3.32 -0.04 1.61 3.52 -1.26 -4.96 118.95 116.62 1g91 s ARG 48 Ca 0.00 -0.56 0.01 0.00 -0.13 0.00 0.00 55.73 55.06 1g91 s ARG 48 Cb 0.00 -2.76 0.02 0.00 -1.56 0.00 0.00 34.95 30.65 1g91 s ARG 48 CO 0.00 0.38 -0.05 1.03 -0.81 0.00 0.00 175.30 175.85 1g91 s ARG 49 N -0.03 0.89 0.12 5.12 3.00 -1.26 0.04 118.95 126.83 1g91 s ARG 49 Ca 0.00 -0.14 0.04 0.00 0.00 0.00 0.00 55.73 55.64 1g91 s ARG 49 Cb -0.13 -0.87 -0.04 0.00 0.00 0.00 0.00 34.95 33.91 1g91 s ARG 49 CO 0.03 -0.06 -0.11 -0.59 0.00 0.00 0.00 175.30 174.57 1g91 s PHE 50 N 0.84 1.19 0.73 -0.53 -0.12 -0.90 -4.93 117.98 114.27 1g91 s PHE 50 Ca -0.12 -0.68 -0.11 0.00 -0.05 0.00 0.00 56.93 55.97 1g91 s PHE 50 Cb -0.14 -0.63 0.03 0.00 -0.63 0.00 0.00 43.02 41.65 1g91 s PHE 50 CO 0.01 0.05 1.07 0.00 -0.05 0.00 0.00 175.22 176.30 1g91 s ALA 52 N -3.00 -0.52 0.10 0.00 0.00 0.33 -2.09 121.76 116.58 1g91 s ALA 52 Ca 0.59 0.59 -0.30 0.00 0.00 0.00 0.00 51.96 52.84 1g91 s ALA 52 Cb -0.15 -0.34 -0.06 0.00 0.00 0.00 0.00 23.12 22.57 1g91 s ALA 52 CO 0.55 -0.10 1.05 1.21 0.00 0.00 0.00 175.76 178.48 1g91 s ASN 53 N 0.10 7.32 0.00 0.00 3.04 -1.26 -1.94 114.94 122.20 1g91 s ASN 53 Ca -0.00 1.90 0.24 0.00 0.04 0.00 0.00 52.86 55.04 1g91 s ASN 53 Cb -0.01 -2.59 1.12 0.00 -1.54 0.00 0.00 41.25 38.23 1g91 s ASN 53 CO 0.00 -0.23 1.79 -0.81 -3.04 0.00 0.00 177.10 174.80 1g91 n PRO 54 N 3.13 0.18 0.00 0.43 -0.04 -1.26 -2.54 135.00 134.90 1g91 n PRO 54 Ca 0.05 0.07 0.12 0.00 -0.04 0.00 0.00 63.50 63.70 1g91 n PRO 54 Cb 0.48 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.65 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 -1.39 2.49 -4.71 3.54 7.64 -1.26 -4.59 113.62 115.34 1g91 n SER 55 Ca 0.09 -1.81 -0.42 0.00 1.01 0.00 0.00 58.87 57.74 1g91 n SER 55 Cb 0.23 0.04 -0.03 0.00 -1.01 0.00 0.00 64.21 63.44 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 -2.05 7.31 0.26 6.43 -1.08 -1.05 -4.93 116.67 121.56 1g91 s ASP 56 Ca 0.30 1.59 -0.02 0.00 -0.52 0.00 0.00 52.55 53.90 1g91 s ASP 56 Cb 0.20 -2.55 0.46 0.00 -1.46 0.00 0.00 42.92 39.57 1g91 s ASP 56 CO 0.33 -0.25 1.82 0.07 0.52 0.00 0.00 175.17 177.66 1g91 h LYS 57 N 6.82 0.86 0.00 4.34 2.10 -1.90 0.24 116.57 129.02 1g91 h LYS 57 Ca -0.40 -0.05 -0.03 0.00 -2.00 0.00 0.00 60.65 58.16 1g91 h LYS 57 Cb 1.21 -0.19 -0.00 0.00 -0.90 0.00 0.00 32.23 32.34 1g91 h LYS 57 CO 0.76 0.57 -0.16 1.96 -2.00 0.00 0.00 179.45 180.57 1g91 h GLN 58 N 0.88 0.00 0.15 0.07 1.08 -1.95 -1.62 115.11 113.72 1g91 h GLN 58 Ca 0.44 0.00 -0.21 0.00 -1.45 0.00 0.00 58.65 57.42 1g91 h GLN 58 Cb 0.41 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 27.86 1g91 h GLN 58 CO -0.25 0.16 -0.93 0.28 -0.95 0.00 0.00 178.83 177.13 1g91 h VAL 59 N 0.00 1.46 0.00 -0.54 2.07 -0.86 -2.53 116.25 115.84 1g91 h VAL 59 Ca -0.00 -2.52 -0.07 0.00 0.82 0.00 0.00 66.70 64.93 1g91 h VAL 59 Cb 0.52 3.10 -0.01 0.00 -1.52 0.00 0.00 31.29 33.38 1g91 h VAL 59 CO 0.02 0.73 -0.31 0.06 0.02 0.00 0.00 177.57 178.08 1g91 h GLN 60 N -0.23 0.00 -0.04 1.57 3.07 -0.96 -1.82 115.11 116.69 1g91 h GLN 60 Ca -0.16 0.00 -0.24 0.00 0.09 0.00 0.00 58.65 58.34 1g91 h GLN 60 Cb 1.72 0.00 0.01 0.00 0.08 0.00 0.00 27.48 29.29 1g91 h GLN 60 CO 0.18 0.31 -0.94 0.28 0.09 0.00 0.00 178.83 178.75 1g91 h VAL 61 N 0.00 1.30 0.00 1.86 2.07 -1.33 -3.10 116.25 117.05 1g91 h VAL 61 Ca -0.00 -2.21 -0.05 0.00 0.82 0.00 0.00 66.70 65.27 1g91 h VAL 61 Cb 0.64 2.27 -0.01 0.00 -1.52 0.00 0.00 31.29 32.67 1g91 h VAL 61 CO 0.04 0.68 -0.22 0.00 0.02 0.00 0.00 177.57 178.10 1g91 h MET 63 N 0.00 -0.87 0.00 0.00 2.07 -1.25 -1.32 114.93 113.55 1g91 h MET 63 Ca -0.00 0.06 -0.00 0.00 -2.07 0.00 0.00 59.70 57.68 1g91 h MET 63 Cb 0.75 0.20 -0.00 0.00 -1.87 0.00 0.00 31.60 30.68 1g91 h MET 63 CO 0.03 -0.57 -0.02 -0.09 1.07 0.00 0.00 176.91 177.33 1g91 h ARG 64 N -0.94 0.00 0.43 1.72 2.43 -1.60 -3.02 114.38 113.39 1g91 h ARG 64 Ca -0.09 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.06 1g91 h ARG 64 Cb 0.70 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 1g91 h ARG 64 CO 0.15 0.02 -0.21 1.98 -1.51 0.00 0.00 179.97 180.40 1g91 h MET 65 N 0.00 -0.55 -0.46 0.20 4.05 -0.94 -3.02 114.93 114.21 1g91 h MET 65 Ca -0.00 0.04 0.13 0.00 -0.28 0.00 0.00 59.70 59.59 1g91 h MET 65 Cb 0.66 0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 31.56 1g91 h MET 65 CO 0.00 -0.37 0.37 -0.07 0.23 0.00 0.00 176.91 177.07 1g91 h LEU 66 N -0.80 0.00-10.27 3.39 4.07 -1.32 -3.42 115.31 106.96 1g91 h LEU 66 Ca -0.06 0.00 -0.51 0.00 0.08 0.00 0.00 57.88 57.39 1g91 h LEU 66 Cb 0.44 0.00 0.12 0.00 1.08 0.00 0.00 40.66 42.30 1g91 h LEU 66 CO 0.10 0.00 0.34 -0.54 -1.08 0.00 0.00 178.44 177.26 1g91 s LYS 67 N -4.88 2.47 -0.47 1.13 -0.14 -1.14 -4.90 119.74 111.81 1g91 s LYS 67 Ca -0.05 1.27 -0.04 0.00 -1.36 0.00 0.00 55.97 55.78 1g91 s LYS 67 Cb 0.18 -1.92 0.02 0.00 -1.68 0.00 0.00 37.83 34.43 1g91 s LYS 67 CO 0.67 -1.49 2.87 1.28 -0.76 0.00 0.00 175.35 177.92 1g91 n LEU 68 N -3.06 6.45 -2.48 3.17 4.77 -1.26 -4.75 117.00 119.84 1g91 n LEU 68 Ca 0.10 -4.01 -0.21 0.00 -0.03 0.00 0.00 56.01 51.86 1g91 n LEU 68 Cb 0.53 -1.27 -0.12 0.00 -2.33 0.00 0.00 43.42 40.22 1g91 n LEU 68 CO 0.51 1.76 2.22 -0.67 -1.33 0.00 0.00 177.39 179.88 1g91 n ASP 69 N 1.21 6.32 -2.88 -1.43 2.03 -1.26 -4.23 116.55 116.31 1g91 n ASP 69 Ca 0.49 -2.49 -0.12 0.00 0.52 0.00 0.00 54.79 53.20 1g91 n ASP 69 Cb 0.58 -1.43 0.04 0.00 -0.72 0.00 0.00 41.12 39.58 1g91 n ASP 69 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1g91 n THR 70 N 2.91 0.11 -3.87 5.18 -2.24 -1.26 -5.06 114.28 110.06 1g91 n THR 70 Ca 0.54 -2.90 -0.30 0.00 -2.27 0.00 0.00 64.05 59.12 1g91 n THR 70 Cb 0.65 0.63 -0.15 0.00 -2.10 0.00 0.00 70.33 69.37 1g91 n THR 70 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1g91 s ARG 71 N -1.33 1.27 -0.27 -0.78 0.52 -1.26 -4.93 118.95 112.17 1g91 s ARG 71 Ca 0.29 -1.75 0.20 0.00 -0.52 0.00 0.00 55.73 53.96 1g91 s ARG 71 Cb 0.36 -2.69 0.50 0.00 0.52 0.00 0.00 34.95 33.64 1g91 s ARG 71 CO -0.05 -1.02 1.11 0.44 0.02 0.00 0.00 175.30 175.81 1g91 n ILE 72 N 4.16 1.44 -2.91 1.52 -5.35 -1.26 -5.06 119.36 111.91 1g91 n ILE 72 Ca 0.03 -3.12 -0.42 0.00 -0.27 0.00 0.00 62.75 58.97 1g91 n ILE 72 Cb 0.39 0.93 -0.05 0.00 -1.74 0.00 0.00 39.64 39.18 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 -3.75 3.87 0.96 6.28 2.47 -1.26 -5.04 119.74 123.27 1g91 s LYS 73 Ca 0.30 0.51 -0.15 0.00 -1.56 0.00 0.00 55.97 55.07 1g91 s LYS 73 Cb 0.34 -3.77 0.21 0.00 -1.46 0.00 0.00 37.83 33.15 1g91 s LYS 73 CO -0.03 -0.80 1.32 -0.08 0.16 0.00 0.00 175.35 175.92 1g91 s THR 74 N 3.14 2.00 -0.12 3.43 -1.32 -1.26 -5.03 115.64 116.48 1g91 s THR 74 Ca 0.34 -0.06 -0.15 0.00 -1.21 0.00 0.00 61.69 60.60 1g91 s THR 74 Cb -0.13 -2.94 -0.05 0.00 -1.51 0.00 0.00 72.50 67.87 1g91 s THR 74 CO 0.15 0.00 0.38 -0.60 -2.21 0.00 0.00 174.62 172.34 1g91 s ARG 75 N -5.87 4.22 0.00 7.08 3.52 -1.26 -4.94 118.95 121.70 1g91 s ARG 75 Ca 0.75 0.27 0.00 0.00 -0.13 0.00 0.00 55.73 56.62 1g91 s ARG 75 Cb -0.03 -3.39 0.00 0.00 -1.56 0.00 0.00 34.95 29.97 1g91 s ARG 75 CO 0.53 0.29 0.00 1.17 -0.81 0.00 0.00 175.30 176.48 1g91 n LYS 76 N 3.30 0.00 -0.79 5.12 3.00 -1.26 -5.35 118.16 122.18 1g91 n LYS 76 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.20 1g91 n LYS 76 Cb 0.52 -0.39 0.00 0.00 0.00 0.00 0.00 35.03 35.16 1g91 n LYS 76 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69