#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 7.08 -0.10 7.83 1.01 -1.26 -4.79 116.67 126.45 1g91 s ASP 2 Ca 0.00 -3.19 0.19 0.00 0.71 0.00 0.00 52.55 50.25 1g91 s ASP 2 Cb 0.00 -2.22 0.70 0.00 1.01 0.00 0.00 42.92 42.41 1g91 s ASP 2 CO 0.00 -0.43 1.61 0.54 0.21 0.00 0.00 175.17 177.10 1g91 n ARG 3 N 3.36 3.59 -0.48 8.23 1.74 -1.26 -4.18 116.66 127.67 1g91 n ARG 3 Ca 0.20 -2.85 0.08 0.00 -0.77 0.00 0.00 57.85 54.52 1g91 n ARG 3 Cb 0.43 -1.84 0.27 0.00 -1.02 0.00 0.00 32.46 30.30 1g91 n ARG 3 CO 0.00 0.00 0.00 1.97 -1.52 0.00 0.00 177.63 178.08 1g91 n PHE 4 N 1.13 1.07 -4.56 -1.55 -1.74 -1.26 -4.93 117.46 105.62 1g91 n PHE 4 Ca 0.25 -0.78 -0.26 0.00 -0.56 0.00 0.00 57.45 56.11 1g91 n PHE 4 Cb 0.85 -0.29 -0.17 0.00 1.52 0.00 0.00 39.48 41.39 1g91 n PHE 4 CO 0.00 0.00 0.00 -1.01 -0.56 0.00 0.00 176.76 175.19 1g91 s HIS 5 N -2.45 1.60 0.00 2.97 3.76 -1.26 -5.02 115.29 114.89 1g91 s HIS 5 Ca 0.42 -0.64 0.00 0.00 -0.15 0.00 0.00 55.06 54.69 1g91 s HIS 5 Cb 0.32 -1.17 0.00 0.00 1.11 0.00 0.00 32.58 32.83 1g91 s HIS 5 CO 0.12 -0.33 0.00 0.00 -0.85 0.00 0.00 174.74 173.68 1g91 n ALA 6 N 3.93 1.09 -3.74 -1.40 0.00 -1.26 -5.12 120.51 114.01 1g91 n ALA 6 Ca -0.21 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.09 1g91 n ALA 6 Cb 0.52 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.92 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 -0.71 0.00 -1.69 0.00 5.66 -1.26 -5.05 114.28 111.23 1g91 n THR 7 Ca 0.00 -1.36 -0.35 0.00 -3.05 0.00 0.00 64.05 59.29 1g91 n THR 7 Cb 0.00 0.66 0.05 0.00 -1.55 0.00 0.00 70.33 69.50 1g91 n THR 7 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1g91 n SER 8 N -2.21 7.15 -4.97 1.09 3.41 -1.26 -4.99 113.62 111.84 1g91 n SER 8 Ca 0.04 -3.80 -0.21 0.00 -0.26 0.00 0.00 58.87 54.64 1g91 n SER 8 Cb 0.34 -0.91 0.01 0.00 -0.26 0.00 0.00 64.21 63.40 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 -3.87 3.97 0.00 7.33 0.00 -1.26 -5.02 121.76 122.90 1g91 s ALA 9 Ca 0.58 -1.27 0.00 0.00 0.00 0.00 0.00 51.96 51.27 1g91 s ALA 9 Cb 0.47 -1.98 0.00 0.00 0.00 0.00 0.00 23.12 21.61 1g91 s ALA 9 CO -0.16 -0.40 0.82 -3.47 0.00 0.00 0.00 175.76 172.55 1g91 n ASP 10 N -2.04 -0.79 -2.62 0.00 2.03 -1.26 -5.14 116.55 106.73 1g91 n ASP 10 Ca 0.03 -1.64 -0.09 0.00 0.52 0.00 0.00 54.79 53.62 1g91 n ASP 10 Cb 0.58 0.24 0.06 0.00 -0.72 0.00 0.00 41.12 41.29 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 4.59 0.11 -3.95 0.00 5.41 -1.26 -4.83 119.36 119.43 1g91 n ILE 13 Ca -0.15 -0.09 -0.10 0.00 1.00 0.00 0.00 62.75 63.42 1g91 n ILE 13 Cb 0.52 -0.45 -0.11 0.00 -0.71 0.00 0.00 39.64 38.90 1g91 n ILE 13 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1g91 s SER 14 N -2.95 0.18 0.20 4.38 0.15 -1.26 -5.16 113.70 109.24 1g91 s SER 14 Ca -0.01 -0.43 0.08 0.00 0.70 0.00 0.00 55.95 56.29 1g91 s SER 14 Cb 0.01 0.14 -0.04 0.00 -1.71 0.00 0.00 66.02 64.42 1g91 s SER 14 CO 0.10 -0.35 -0.00 -0.31 1.20 0.00 0.00 173.24 173.88 1g91 s TYR 15 N -1.60 2.80 0.05 3.44 1.51 -1.26 -3.98 117.35 118.31 1g91 s TYR 15 Ca -0.14 -0.16 -0.31 0.00 -1.01 0.00 0.00 57.07 55.45 1g91 s TYR 15 Cb -0.08 -1.33 -0.07 0.00 -0.11 0.00 0.00 41.96 40.37 1g91 s TYR 15 CO -0.01 0.54 1.56 -0.08 -1.11 0.00 0.00 175.55 176.46 1g91 s THR 16 N -1.87 3.24 -0.80 -0.71 -1.32 -0.99 -4.86 115.64 108.31 1g91 s THR 16 Ca 0.28 0.69 -0.07 0.00 -1.21 0.00 0.00 61.69 61.38 1g91 s THR 16 Cb -0.09 -3.44 -0.16 0.00 -1.51 0.00 0.00 72.50 67.30 1g91 s THR 16 CO 0.19 0.00 3.07 -0.81 -2.21 0.00 0.00 174.62 174.86 1g91 n PRO 17 N 5.42 2.68 -3.45 7.08 -0.04 -1.26 -4.80 135.00 140.62 1g91 n PRO 17 Ca 0.15 -1.53 -0.13 0.00 -0.04 0.00 0.00 63.50 61.95 1g91 n PRO 17 Cb 0.41 -2.38 -0.03 0.00 -0.04 0.00 0.00 33.50 31.47 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 1.83 1.17 -0.94 0.54 0.52 -1.26 -5.09 118.95 115.71 1g91 s ARG 18 Ca 0.63 -0.29 -0.15 0.00 -0.52 0.00 0.00 55.73 55.40 1g91 s ARG 18 Cb 0.22 0.54 0.19 0.00 0.52 0.00 0.00 34.95 36.42 1g91 s ARG 18 CO -0.03 -0.48 1.02 -1.12 0.02 0.00 0.00 175.30 174.71 1g91 s SER 19 N -2.36 6.82 -0.21 0.23 0.01 -1.26 -5.01 113.70 111.92 1g91 s SER 19 Ca -0.01 -2.60 -0.18 0.00 1.31 0.00 0.00 55.95 54.47 1g91 s SER 19 Cb -0.01 -2.30 -0.03 0.00 0.21 0.00 0.00 66.02 63.89 1g91 s SER 19 CO -0.07 -0.74 0.50 -0.63 0.41 0.00 0.00 173.24 172.70 1g91 s ILE 20 N 1.08 5.11 0.86 1.44 1.01 -1.26 -5.06 121.20 124.38 1g91 s ILE 20 Ca 0.28 0.90 -0.12 0.00 0.00 0.00 0.00 60.65 61.70 1g91 s ILE 20 Cb -0.07 -3.82 0.11 0.00 0.01 0.00 0.00 42.46 38.69 1g91 s ILE 20 CO -0.08 0.17 1.17 -2.16 0.00 0.00 0.00 174.94 174.04 1g91 s PRO 21 N 1.72 1.59 0.27 2.79 0.04 -1.26 -4.93 135.00 135.21 1g91 s PRO 21 Ca 0.23 0.13 0.24 0.00 0.04 0.00 0.00 61.00 61.63 1g91 s PRO 21 Cb -0.15 -1.91 1.00 0.00 0.04 0.00 0.00 34.50 33.48 1g91 s PRO 21 CO 0.09 -1.86 1.71 0.00 0.04 0.00 0.00 177.00 176.98 1g91 h SER 23 N 0.00 0.00 -0.71 0.00 4.64 -2.00 -2.16 113.55 113.33 1g91 h SER 23 Ca 0.00 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.07 1g91 h SER 23 Cb 0.34 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.28 1g91 h SER 23 CO 0.00 0.18 0.28 0.18 -0.87 0.00 0.00 176.83 176.60 1g91 n LEU 24 N -3.62 5.82 -4.08 5.97 7.99 -0.94 -4.92 117.00 123.22 1g91 n LEU 24 Ca -0.01 -3.35 -0.20 0.00 -0.01 0.00 0.00 56.01 52.44 1g91 n LEU 24 Cb 0.31 -0.74 -0.14 0.00 -0.11 0.00 0.00 43.42 42.74 1g91 n LEU 24 CO 0.32 0.90 -0.45 -0.76 -1.51 0.00 0.00 177.39 175.89 1g91 s LEU 25 N -3.08 2.06 -0.09 2.23 1.43 -0.81 -4.49 118.68 115.92 1g91 s LEU 25 Ca 0.53 -0.26 0.18 0.00 -1.03 0.00 0.00 54.13 53.55 1g91 s LEU 25 Cb 0.44 -0.58 -0.26 0.00 0.03 0.00 0.00 46.19 45.82 1g91 s LEU 25 CO 0.11 0.11 0.26 -1.84 0.23 0.00 0.00 176.35 175.22 1g91 n GLU 26 N 2.59 0.82 -3.75 1.70 0.28 0.09 -4.89 120.64 117.49 1g91 n GLU 26 Ca -0.15 -0.10 -0.02 0.00 -0.16 0.00 0.00 57.16 56.73 1g91 n GLU 26 Cb 0.56 -1.45 -0.01 0.00 1.43 0.00 0.00 31.44 31.97 1g91 n GLU 26 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1g91 s SER 27 N -4.64 -0.13 0.25 -1.84 0.15 -1.19 -5.04 113.70 101.27 1g91 s SER 27 Ca -0.08 -0.39 -0.17 0.00 0.70 0.00 0.00 55.95 56.02 1g91 s SER 27 Cb 0.09 0.42 0.01 0.00 -1.71 0.00 0.00 66.02 64.84 1g91 s SER 27 CO 0.76 -0.79 0.58 -0.72 1.20 0.00 0.00 173.24 174.27 1g91 s TYR 28 N -2.97 0.05 0.24 3.44 1.13 -1.26 -1.47 117.35 116.50 1g91 s TYR 28 Ca 0.14 -0.44 -0.20 0.00 -1.41 0.00 0.00 57.07 55.15 1g91 s TYR 28 Cb -0.00 0.43 0.07 0.00 -1.10 0.00 0.00 41.96 41.36 1g91 s TYR 28 CO 0.01 -1.07 0.95 -0.59 -2.51 0.00 0.00 175.55 172.34 1g91 s PHE 29 N -3.95 0.06 -0.08 -3.49 -0.71 -0.96 -5.01 117.98 103.83 1g91 s PHE 29 Ca 0.15 -0.53 -0.01 0.00 -1.04 0.00 0.00 56.93 55.50 1g91 s PHE 29 Cb -0.03 0.74 -0.03 0.00 -1.21 0.00 0.00 43.02 42.49 1g91 s PHE 29 CO 0.06 -1.12 -0.02 -1.21 -1.34 0.00 0.00 175.22 171.59 1g91 s GLU 30 N -2.38 2.95 0.92 1.99 2.02 -1.26 -1.76 118.70 121.18 1g91 s GLU 30 Ca 0.19 -0.45 -0.10 0.00 0.02 0.00 0.00 54.97 54.63 1g91 s GLU 30 Cb -0.03 -2.75 0.15 0.00 0.10 0.00 0.00 34.13 31.60 1g91 s GLU 30 CO 0.07 0.67 1.14 0.95 0.02 0.00 0.00 175.26 178.11 1g91 s THR 31 N -0.81 2.04 0.01 3.63 -4.23 -0.94 -4.81 115.64 110.53 1g91 s THR 31 Ca 0.12 0.01 -0.37 0.00 -1.18 0.00 0.00 61.69 60.28 1g91 s THR 31 Cb -0.11 -2.03 -0.15 0.00 1.34 0.00 0.00 72.50 71.55 1g91 s THR 31 CO 0.02 -0.02 1.54 0.59 -0.54 0.00 0.00 174.62 176.22 1g91 n ASN 32 N -4.27 2.34 0.15 3.99 5.03 -1.26 -4.77 115.26 116.47 1g91 n ASN 32 Ca 0.12 1.08 0.11 0.00 0.87 0.00 0.00 54.58 56.76 1g91 n ASN 32 Cb 0.52 -1.25 0.55 0.00 -1.02 0.00 0.00 39.78 38.58 1g91 n ASN 32 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1g91 n SER 33 N 3.80 0.55 0.04 6.41 7.64 -1.26 -1.54 113.62 129.26 1g91 n SER 33 Ca 0.20 0.74 -0.00 0.00 1.01 0.00 0.00 58.87 60.82 1g91 n SER 33 Cb 0.21 -0.82 0.30 0.00 -1.01 0.00 0.00 64.21 62.90 1g91 n SER 33 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1g91 h GLU 34 N 0.00 0.43 -6.96 1.43 5.08 -2.01 -3.43 114.58 109.12 1g91 h GLU 34 Ca 0.00 -0.11 -0.54 0.00 -1.00 0.00 0.00 59.36 57.71 1g91 h GLU 34 Cb 0.05 -0.05 0.11 0.00 0.50 0.00 0.00 28.75 29.35 1g91 h GLU 34 CO 0.00 0.53 0.77 0.00 -1.00 0.00 0.00 179.01 179.31 1g91 h SER 36 N 2.85 0.97 -4.27 0.00 0.02 -1.89 -3.35 113.55 107.88 1g91 h SER 36 Ca -0.51 -0.18 -0.65 0.00 -0.84 0.00 0.00 61.79 59.61 1g91 h SER 36 Cb 1.24 -0.25 -0.40 0.00 0.14 0.00 0.00 62.40 63.13 1g91 h SER 36 CO 0.63 0.89 -0.62 -0.54 -1.14 0.00 0.00 176.83 176.05 1g91 s LYS 37 N -5.52 1.97 0.25 3.45 1.02 -1.26 -5.09 119.74 114.56 1g91 s LYS 37 Ca -0.13 -2.53 -0.04 0.00 0.02 0.00 0.00 55.97 53.30 1g91 s LYS 37 Cb 0.14 -3.34 0.06 0.00 -0.52 0.00 0.00 37.83 34.17 1g91 s LYS 37 CO 0.82 -1.09 0.31 -0.35 -0.92 0.00 0.00 175.35 174.12 1g91 n PRO 38 N 3.28 -0.57 -3.00 -1.68 -0.04 -1.26 -3.95 135.00 127.78 1g91 n PRO 38 Ca 0.05 -0.48 0.00 0.00 -0.04 0.00 0.00 63.50 63.03 1g91 n PRO 38 Cb 0.34 -0.34 0.00 0.00 -0.04 0.00 0.00 33.50 33.45 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 2.44 -1.12 3.68 0.55 0.00 -1.26 -4.77 105.19 104.71 1g91 n GLY 39 Ca 0.04 -0.96 -0.35 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 -2.23 4.90 -0.12 1.61 1.01 -0.99 -2.21 120.40 122.36 1g91 s VAL 40 Ca 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 61.98 61.96 1g91 s VAL 40 Cb 0.00 -3.19 -0.03 0.00 0.00 0.00 0.00 36.38 33.16 1g91 s VAL 40 CO 0.00 0.49 -0.05 -0.63 0.00 0.00 0.00 175.10 174.91 1g91 s ILE 41 N 0.10 3.79 -0.14 2.22 1.01 -0.72 0.18 121.20 127.64 1g91 s ILE 41 Ca 0.06 -0.42 0.00 0.00 0.00 0.00 0.00 60.65 60.29 1g91 s ILE 41 Cb -0.12 -2.61 -0.01 0.00 0.01 0.00 0.00 42.46 39.73 1g91 s ILE 41 CO 0.00 0.54 -0.14 -0.36 0.00 0.00 0.00 174.94 174.98 1g91 s PHE 42 N -0.11 2.78 -0.19 3.97 0.08 -0.64 -2.27 117.98 121.60 1g91 s PHE 42 Ca 0.02 -0.82 -0.08 0.00 0.12 0.00 0.00 56.93 56.17 1g91 s PHE 42 Cb -0.13 -1.86 -0.04 0.00 -0.57 0.00 0.00 43.02 40.42 1g91 s PHE 42 CO 0.03 -0.33 0.07 -1.17 -0.10 0.00 0.00 175.22 173.72 1g91 s LEU 43 N 0.55 3.83 0.47 -0.37 2.96 -0.55 -2.27 118.68 123.31 1g91 s LEU 43 Ca -0.09 0.07 0.02 0.00 -0.22 0.00 0.00 54.13 53.91 1g91 s LEU 43 Cb -0.16 -1.98 0.01 0.00 0.50 0.00 0.00 46.19 44.56 1g91 s LEU 43 CO 0.04 0.15 0.68 0.42 -1.32 0.00 0.00 176.35 176.32 1g91 s THR 44 N 0.50 3.47 -1.93 3.68 -4.23 0.14 -0.73 115.64 116.54 1g91 s THR 44 Ca 0.04 -0.64 0.24 0.00 -1.18 0.00 0.00 61.69 60.14 1g91 s THR 44 Cb -0.13 -3.27 0.64 0.00 1.34 0.00 0.00 72.50 71.08 1g91 s THR 44 CO 0.01 -0.17 1.77 1.17 -0.54 0.00 0.00 174.62 176.85 1g91 n LYS 45 N -2.11 0.69 -1.02 3.99 4.81 -1.26 -2.78 118.16 120.47 1g91 n LYS 45 Ca 0.04 0.01 -0.08 0.00 -0.87 0.00 0.00 58.31 57.41 1g91 n LYS 45 Cb 0.58 -1.50 0.28 0.00 0.02 0.00 0.00 35.03 34.42 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 -1.04 3.37 -3.42 1.64 5.02 -1.26 -4.90 118.16 117.58 1g91 n LYS 46 Ca 0.17 -3.08 -0.19 0.00 -2.02 0.00 0.00 58.31 53.19 1g91 n LYS 46 Cb 0.09 -2.18 0.08 0.00 -0.02 0.00 0.00 35.03 33.00 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 -0.38 -0.36 3.13 0.72 0.00 -1.12 -5.01 105.19 102.17 1g91 n GLY 47 Ca 0.43 0.12 -0.24 0.00 0.00 0.00 0.00 46.02 46.33 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 -5.80 1.39 -0.00 1.61 1.81 -1.25 -4.96 118.95 111.74 1g91 s ARG 48 Ca 0.32 -0.56 0.02 0.00 -1.72 0.00 0.00 55.73 53.79 1g91 s ARG 48 Cb -0.14 -1.30 -0.01 0.00 -0.45 0.00 0.00 34.95 33.06 1g91 s ARG 48 CO 0.66 0.30 -0.08 -0.98 -0.68 0.00 0.00 175.30 174.52 1g91 s ARG 49 N -0.21 0.60 -0.13 3.54 3.03 -1.26 0.26 118.95 124.78 1g91 s ARG 49 Ca 0.03 -0.31 -0.13 0.00 2.03 0.00 0.00 55.73 57.34 1g91 s ARG 49 Cb -0.08 -0.57 0.03 0.00 -1.03 0.00 0.00 34.95 33.31 1g91 s ARG 49 CO 0.00 0.15 0.36 -0.59 -1.13 0.00 0.00 175.30 174.10 1g91 s PHE 50 N -0.27 -0.39 0.71 5.89 -0.12 -0.96 -4.95 117.98 117.89 1g91 s PHE 50 Ca 0.02 0.93 -0.12 0.00 -0.05 0.00 0.00 56.93 57.71 1g91 s PHE 50 Cb -0.03 0.14 0.03 0.00 -0.63 0.00 0.00 43.02 42.52 1g91 s PHE 50 CO -0.00 -0.21 1.09 0.00 -0.05 0.00 0.00 175.22 176.05 1g91 s ALA 52 N -2.69 -0.12 -0.07 0.00 0.00 0.49 -2.35 121.76 117.02 1g91 s ALA 52 Ca 0.63 -0.70 -0.26 0.00 0.00 0.00 0.00 51.96 51.62 1g91 s ALA 52 Cb -0.18 0.46 -0.03 0.00 0.00 0.00 0.00 23.12 23.38 1g91 s ALA 52 CO 0.50 -0.49 0.83 1.21 0.00 0.00 0.00 175.76 177.81 1g91 s ASN 53 N -2.87 7.12 0.00 0.00 3.84 -1.26 -2.36 114.94 119.41 1g91 s ASN 53 Ca 0.05 1.36 0.25 0.00 0.21 0.00 0.00 52.86 54.74 1g91 s ASN 53 Cb 0.05 -2.48 1.42 0.00 -0.55 0.00 0.00 41.25 39.70 1g91 s ASN 53 CO -0.11 -0.23 1.87 -0.81 -2.79 0.00 0.00 177.10 175.03 1g91 n PRO 54 N 4.15 0.62 0.00 0.43 -0.04 -1.26 -2.57 135.00 136.33 1g91 n PRO 54 Ca 0.03 0.02 0.11 0.00 -0.04 0.00 0.00 63.50 63.62 1g91 n PRO 54 Cb 0.51 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.54 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 -1.12 1.54 -4.73 3.54 7.64 -1.26 -4.72 113.62 114.51 1g91 n SER 55 Ca 0.16 -1.21 -0.41 0.00 1.01 0.00 0.00 58.87 58.42 1g91 n SER 55 Cb 0.13 0.48 -0.04 0.00 -1.01 0.00 0.00 64.21 63.77 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 -2.61 7.34 0.20 6.43 2.15 -1.06 -4.93 116.67 124.19 1g91 s ASP 56 Ca 0.17 1.98 -0.10 0.00 0.43 0.00 0.00 52.55 55.03 1g91 s ASP 56 Cb 0.18 -2.60 0.14 0.00 -0.30 0.00 0.00 42.92 40.34 1g91 s ASP 56 CO 0.62 -0.18 1.81 0.11 -0.17 0.00 0.00 175.17 177.37 1g91 h LYS 57 N 5.37 1.02 0.00 4.34 1.57 -1.90 -1.43 116.57 125.54 1g91 h LYS 57 Ca -0.44 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.21 1g91 h LYS 57 Cb 1.21 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 33.32 1g91 h LYS 57 CO 0.73 0.76 -0.03 1.96 -0.57 0.00 0.00 179.45 182.30 1g91 h GLN 58 N 1.00 0.00 0.06 3.15 1.08 -1.96 -1.28 115.11 117.17 1g91 h GLN 58 Ca 0.25 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.45 1g91 h GLN 58 Cb 0.05 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.48 1g91 h GLN 58 CO -0.04 0.03 -0.03 0.28 -0.95 0.00 0.00 178.83 178.12 1g91 h VAL 59 N 0.00 1.27 -0.08 -0.54 2.07 -1.56 -2.71 116.25 114.70 1g91 h VAL 59 Ca -0.00 -1.32 0.02 0.00 0.82 0.00 0.00 66.70 66.23 1g91 h VAL 59 Cb 0.05 2.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.92 1g91 h VAL 59 CO 0.00 0.32 0.06 0.06 0.02 0.00 0.00 177.57 178.03 1g91 h GLN 60 N -0.69 0.00 -0.03 1.57 3.07 -1.05 -0.54 115.11 117.45 1g91 h GLN 60 Ca -0.01 -0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.73 1g91 h GLN 60 Cb 0.58 -0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.14 1g91 h GLN 60 CO 0.01 0.00 0.00 0.28 0.09 0.00 0.00 178.83 179.22 1g91 h VAL 61 N 0.00 1.23 -0.63 1.86 2.07 -1.16 -2.67 116.25 116.95 1g91 h VAL 61 Ca 0.04 -0.70 -0.09 0.00 0.82 0.00 0.00 66.70 66.77 1g91 h VAL 61 Cb 0.15 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 1g91 h VAL 61 CO -0.00 0.19 0.06 0.00 0.02 0.00 0.00 177.57 177.83 1g91 h MET 63 N 0.99 -0.26 -1.06 0.00 2.07 -1.01 0.16 114.93 115.83 1g91 h MET 63 Ca 0.19 0.02 0.28 0.00 -2.07 0.00 0.00 59.70 58.12 1g91 h MET 63 Cb 0.49 0.06 -0.08 0.00 -1.87 0.00 0.00 31.60 30.20 1g91 h MET 63 CO 0.02 -0.17 0.71 -0.09 1.07 0.00 0.00 176.91 178.45 1g91 h ARG 64 N -0.27 0.26 0.74 1.72 2.43 -1.50 1.01 114.38 118.78 1g91 h ARG 64 Ca -0.00 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.11 1g91 h ARG 64 Cb 0.26 -0.06 0.01 0.00 -0.42 0.00 0.00 29.97 29.76 1g91 h ARG 64 CO -0.09 0.17 -0.35 1.98 -1.51 0.00 0.00 179.97 180.17 1g91 h MET 65 N 0.27 -0.95 0.00 0.20 4.05 -0.70 -2.66 114.93 115.14 1g91 h MET 65 Ca 0.58 0.06 0.00 0.00 -0.28 0.00 0.00 59.70 60.06 1g91 h MET 65 Cb 1.70 0.22 0.00 0.00 -0.80 0.00 0.00 31.60 32.72 1g91 h MET 65 CO -0.21 -0.63 0.00 1.28 0.23 0.00 0.00 176.91 177.58 1g91 n LEU 66 N -5.09 0.00 0.00 3.39 4.77 0.38 -4.80 117.00 115.65 1g91 n LEU 66 Ca -0.12 0.10 -0.09 0.00 -0.03 0.00 0.00 56.01 55.87 1g91 n LEU 66 Cb 0.39 -0.10 0.09 0.00 -2.33 0.00 0.00 43.42 41.46 1g91 n LEU 66 CO 0.30 -0.03 0.13 0.29 -1.33 0.00 0.00 177.39 176.75 1g91 n LYS 67 N -1.10 -2.51 -2.43 3.23 5.02 0.34 -4.89 118.16 115.81 1g91 n LYS 67 Ca 0.15 -0.48 -0.42 0.00 -2.02 0.00 0.00 58.31 55.54 1g91 n LYS 67 Cb 0.12 -0.56 -0.03 0.00 -0.02 0.00 0.00 35.03 34.54 1g91 n LYS 67 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1g91 s LEU 68 N 0.00 4.30 -1.07 -0.35 1.98 -1.26 -4.90 118.68 117.37 1g91 s LEU 68 Ca 0.21 1.87 -0.08 0.00 -2.89 0.00 0.00 54.13 53.24 1g91 s LEU 68 Cb -0.03 -3.56 -0.11 0.00 0.66 0.00 0.00 46.19 43.14 1g91 s LEU 68 CO 0.17 -0.57 3.09 0.47 -1.89 0.00 0.00 176.35 177.62 1g91 n ASP 69 N 4.99 7.58 0.00 3.68 9.92 -1.26 -4.81 116.55 136.64 1g91 n ASP 69 Ca 0.11 -2.63 0.00 0.00 -0.53 0.00 0.00 54.79 51.73 1g91 n ASP 69 Cb 0.46 -1.48 0.00 0.00 -0.64 0.00 0.00 41.12 39.46 1g91 n ASP 69 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 1g91 n THR 70 N 2.95 0.00 -0.92 -3.53 -1.04 -1.26 -1.23 114.28 109.24 1g91 n THR 70 Ca 0.66 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.67 1g91 n THR 70 Cb 0.45 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.96 1g91 n THR 70 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1g91 n ARG 71 N 0.00 0.07 -4.29 -2.82 5.12 -1.26 -5.00 116.66 108.48 1g91 n ARG 71 Ca 0.00 -0.30 -0.38 0.00 -1.93 0.00 0.00 57.85 55.24 1g91 n ARG 71 Cb 0.00 -0.54 -0.06 0.00 -1.16 0.00 0.00 32.46 30.70 1g91 n ARG 71 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 1g91 n ILE 72 N -0.02 -0.29 -0.04 0.55 5.41 -0.37 -4.82 119.36 119.78 1g91 n ILE 72 Ca 0.00 0.00 -0.00 0.00 1.00 0.00 0.00 62.75 63.75 1g91 n ILE 72 Cb 0.35 -0.81 -0.00 0.00 -0.71 0.00 0.00 39.64 38.47 1g91 n ILE 72 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 1g91 h LYS 73 N -0.97 0.00 0.00 0.38 3.64 -1.95 -3.50 116.57 114.17 1g91 h LYS 73 Ca -0.55 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.83 1g91 h LYS 73 Cb 1.36 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.18 1g91 h LYS 73 CO 0.80 0.00 0.00 -2.37 -2.27 0.00 0.00 179.45 175.61 1g91 n THR 74 N -4.32 0.00 -0.63 1.00 5.66 -1.26 -5.17 114.28 109.56 1g91 n THR 74 Ca -0.01 0.00 0.08 0.00 -3.05 0.00 0.00 64.05 61.07 1g91 n THR 74 Cb 0.03 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 68.77 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 0.00 -1.45 -1.41 1.09 0.63 -1.26 -4.88 116.66 109.38 1g91 n ARG 75 Ca 0.00 1.17 0.03 0.00 -0.92 0.00 0.00 57.85 58.13 1g91 n ARG 75 Cb 0.00 -1.70 0.01 0.00 0.45 0.00 0.00 32.46 31.23 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 -3.08 0.00 -0.18 -0.14 5.02 -1.26 -5.23 118.16 113.29 1g91 n LYS 76 Ca -0.04 -1.89 0.00 0.00 -2.02 0.00 0.00 58.31 54.36 1g91 n LYS 76 Cb 0.30 -0.01 0.00 0.00 -0.02 0.00 0.00 35.03 35.30 1g91 n LYS 76 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97