#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 3.54 0.68 7.83 -4.77 -1.26 -5.12 116.67 117.57 1g91 s ASP 2 Ca 0.00 -2.05 -0.14 0.00 -3.30 0.00 0.00 52.55 47.06 1g91 s ASP 2 Cb 0.00 -0.71 0.01 0.00 -1.09 0.00 0.00 42.92 41.13 1g91 s ASP 2 CO 0.00 -0.34 1.10 -0.13 0.70 0.00 0.00 175.17 176.49 1g91 s ARG 3 N 1.14 2.73 0.00 2.11 0.52 -1.26 -5.02 118.95 119.18 1g91 s ARG 3 Ca 0.14 1.28 0.00 0.00 -0.52 0.00 0.00 55.73 56.64 1g91 s ARG 3 Cb -0.21 -1.95 0.00 0.00 0.52 0.00 0.00 34.95 33.31 1g91 s ARG 3 CO -0.11 -1.29 0.00 1.19 0.02 0.00 0.00 175.30 175.11 1g91 n PHE 4 N -2.69 0.00 -3.63 -0.53 3.72 -1.26 -5.11 117.46 107.96 1g91 n PHE 4 Ca 0.10 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.36 1g91 n PHE 4 Cb 0.52 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 39.00 1g91 n PHE 4 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 1g91 s HIS 5 N -0.35 -0.35 0.33 1.38 3.76 -1.26 -5.18 115.29 113.62 1g91 s HIS 5 Ca 0.00 0.40 -0.01 0.00 -0.15 0.00 0.00 55.06 55.30 1g91 s HIS 5 Cb 0.00 0.27 0.01 0.00 1.11 0.00 0.00 32.58 33.97 1g91 s HIS 5 CO 0.00 -0.59 0.45 0.00 -0.85 0.00 0.00 174.74 173.75 1g91 n ALA 6 N 0.56 -0.24 -0.49 -1.40 0.00 -1.26 -5.03 120.51 112.65 1g91 n ALA 6 Ca -0.19 -1.57 -0.15 0.00 0.00 0.00 0.00 53.44 51.53 1g91 n ALA 6 Cb 0.59 1.26 0.13 0.00 0.00 0.00 0.00 19.45 21.44 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 -0.55 2.46 1.78 0.00 5.66 -1.26 -4.27 114.28 118.10 1g91 n THR 7 Ca 0.01 -1.28 0.09 0.00 -3.05 0.00 0.00 64.05 59.83 1g91 n THR 7 Cb 0.56 -0.63 0.48 0.00 -1.55 0.00 0.00 70.33 69.19 1g91 n THR 7 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1g91 n SER 8 N -0.56 0.46 -3.73 1.09 7.64 -1.26 -4.28 113.62 112.98 1g91 n SER 8 Ca 0.39 -1.52 -0.42 0.00 1.01 0.00 0.00 58.87 58.33 1g91 n SER 8 Cb 1.27 -0.03 0.01 0.00 -1.01 0.00 0.00 64.21 64.45 1g91 n SER 8 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1g91 n ALA 9 N -0.47 5.90 -2.21 -0.43 0.00 -1.26 -4.37 120.51 117.68 1g91 n ALA 9 Ca 0.14 -4.48 -0.01 0.00 0.00 0.00 0.00 53.44 49.09 1g91 n ALA 9 Cb 0.13 -2.52 -0.01 0.00 0.00 0.00 0.00 19.45 17.05 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 1.45 0.09 -4.82 0.00 2.03 -1.26 -5.11 116.55 108.92 1g91 n ASP 10 Ca 0.44 -1.88 -0.33 0.00 0.52 0.00 0.00 54.79 53.54 1g91 n ASP 10 Cb 0.29 -0.05 -0.04 0.00 -0.72 0.00 0.00 41.12 40.60 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 5.24 0.36 -3.71 0.00 3.06 -1.26 -4.77 119.36 118.28 1g91 n ILE 13 Ca -0.13 -0.51 -0.13 0.00 -2.50 0.00 0.00 62.75 59.48 1g91 n ILE 13 Cb 0.42 0.54 -0.10 0.00 0.54 0.00 0.00 39.64 41.05 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 -1.45 -0.51 -0.05 9.51 0.01 -1.26 -5.16 113.70 114.79 1g91 s SER 14 Ca 0.34 0.96 0.04 0.00 1.31 0.00 0.00 55.95 58.59 1g91 s SER 14 Cb 0.19 0.95 -0.02 0.00 0.21 0.00 0.00 66.02 67.34 1g91 s SER 14 CO 0.27 -0.17 -0.16 -0.31 0.41 0.00 0.00 173.24 173.28 1g91 s TYR 15 N 0.44 2.66 0.04 2.43 2.02 -1.26 -4.38 117.35 119.30 1g91 s TYR 15 Ca -0.02 -0.22 -0.30 0.00 -0.37 0.00 0.00 57.07 56.16 1g91 s TYR 15 Cb -0.04 -1.63 -0.08 0.00 -0.40 0.00 0.00 41.96 39.82 1g91 s TYR 15 CO -0.02 0.13 1.66 -0.08 -1.57 0.00 0.00 175.55 175.68 1g91 s THR 16 N -0.65 3.17 -0.79 -0.71 -1.32 -1.02 -4.86 115.64 109.47 1g91 s THR 16 Ca 0.10 0.53 -0.07 0.00 -1.21 0.00 0.00 61.69 61.03 1g91 s THR 16 Cb -0.11 -3.34 -0.16 0.00 -1.51 0.00 0.00 72.50 67.38 1g91 s THR 16 CO 0.01 -0.01 3.07 -0.81 -2.21 0.00 0.00 174.62 174.66 1g91 n PRO 17 N 6.02 2.66 -3.64 7.08 -0.04 -1.26 -4.76 135.00 141.06 1g91 n PRO 17 Ca 0.16 -1.52 -0.07 0.00 -0.04 0.00 0.00 63.50 62.03 1g91 n PRO 17 Cb 0.41 -2.37 -0.07 0.00 -0.04 0.00 0.00 33.50 31.43 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 0.70 -0.71 0.54 0.52 -1.26 -5.10 118.95 115.46 1g91 s ARG 18 Ca 0.63 1.19 -0.24 0.00 -0.52 0.00 0.00 55.73 56.79 1g91 s ARG 18 Cb 0.22 0.15 0.06 0.00 0.52 0.00 0.00 34.95 35.90 1g91 s ARG 18 CO -0.03 -0.14 1.08 -1.12 0.02 0.00 0.00 175.30 175.11 1g91 s SER 19 N 1.57 6.21 0.08 0.23 0.01 -1.26 -5.01 113.70 115.53 1g91 s SER 19 Ca -0.10 -0.92 -0.16 0.00 1.31 0.00 0.00 55.95 56.08 1g91 s SER 19 Cb -0.05 -2.46 -0.06 0.00 0.21 0.00 0.00 66.02 63.65 1g91 s SER 19 CO -0.19 -1.53 0.51 -0.63 0.41 0.00 0.00 173.24 171.81 1g91 s ILE 20 N 4.48 4.87 0.38 1.44 1.01 -1.26 -5.06 121.20 127.05 1g91 s ILE 20 Ca 0.27 0.96 -0.24 0.00 0.00 0.00 0.00 60.65 61.64 1g91 s ILE 20 Cb -0.13 -3.79 -0.10 0.00 0.01 0.00 0.00 42.46 38.46 1g91 s ILE 20 CO 0.10 0.45 0.99 -2.16 0.00 0.00 0.00 174.94 174.31 1g91 s PRO 21 N -1.42 4.33 0.62 2.79 0.04 -1.26 -4.91 135.00 135.19 1g91 s PRO 21 Ca 0.31 1.36 0.30 0.00 0.04 0.00 0.00 61.00 63.01 1g91 s PRO 21 Cb -0.17 -2.56 1.64 0.00 0.04 0.00 0.00 34.50 33.44 1g91 s PRO 21 CO 0.18 0.04 1.99 0.00 0.04 0.00 0.00 177.00 179.25 1g91 h SER 23 N 0.00 0.00 -0.32 0.00 0.02 -2.02 0.95 113.55 112.18 1g91 h SER 23 Ca 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1g91 h SER 23 Cb 0.74 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.28 1g91 h SER 23 CO -0.00 0.00 0.00 -0.11 -1.14 0.00 0.00 176.83 175.58 1g91 n LEU 24 N -3.13 3.62 -4.23 5.07 7.94 0.03 -4.97 117.00 121.33 1g91 n LEU 24 Ca 0.02 -2.59 -0.25 0.00 -1.11 0.00 0.00 56.01 52.08 1g91 n LEU 24 Cb 0.54 -0.43 -0.14 0.00 0.53 0.00 0.00 43.42 43.92 1g91 n LEU 24 CO 0.17 0.70 -0.52 -0.76 -1.11 0.00 0.00 177.39 175.88 1g91 s LEU 25 N -2.06 2.14 -0.25 -1.96 1.43 0.33 -4.33 118.68 113.97 1g91 s LEU 25 Ca 0.36 -0.48 0.02 0.00 -1.03 0.00 0.00 54.13 53.00 1g91 s LEU 25 Cb 0.26 -0.96 -0.17 0.00 0.03 0.00 0.00 46.19 45.35 1g91 s LEU 25 CO 0.13 0.17 -0.21 1.21 0.23 0.00 0.00 176.35 177.87 1g91 n GLU 26 N 2.03 0.63 -2.69 1.70 0.00 0.76 -4.89 120.64 118.19 1g91 n GLU 26 Ca -0.17 0.14 -0.07 0.00 0.00 0.00 0.00 57.16 57.07 1g91 n GLU 26 Cb 0.53 -1.50 -0.01 0.00 0.00 0.00 0.00 31.44 30.46 1g91 n GLU 26 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1g91 n SER 27 N -3.22 -0.79 -3.62 4.31 3.41 -1.16 -4.99 113.62 107.55 1g91 n SER 27 Ca -0.44 -1.92 -0.09 0.00 -0.26 0.00 0.00 58.87 56.16 1g91 n SER 27 Cb 0.98 1.43 -0.02 0.00 -0.26 0.00 0.00 64.21 66.34 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 -4.35 -0.35 0.00 7.33 1.13 -1.26 -1.38 117.35 118.47 1g91 s TYR 28 Ca 0.13 0.05 -0.29 0.00 -1.41 0.00 0.00 57.07 55.55 1g91 s TYR 28 Cb -0.01 0.62 0.10 0.00 -1.10 0.00 0.00 41.96 41.57 1g91 s TYR 28 CO 0.09 -0.96 1.04 -0.59 -2.51 0.00 0.00 175.55 172.62 1g91 s PHE 29 N -3.70 -0.19 0.08 -3.49 -0.12 -0.36 -4.97 117.98 105.23 1g91 s PHE 29 Ca 0.06 0.03 0.01 0.00 -0.05 0.00 0.00 56.93 56.98 1g91 s PHE 29 Cb -0.03 0.56 -0.04 0.00 -0.63 0.00 0.00 43.02 42.89 1g91 s PHE 29 CO -0.04 -0.51 0.18 -1.21 -0.05 0.00 0.00 175.22 173.59 1g91 s GLU 30 N -2.91 3.28 0.55 1.99 2.02 -1.26 0.43 118.70 122.79 1g91 s GLU 30 Ca 0.09 -0.53 -0.09 0.00 0.02 0.00 0.00 54.97 54.46 1g91 s GLU 30 Cb -0.00 -2.94 0.14 0.00 0.10 0.00 0.00 34.13 31.43 1g91 s GLU 30 CO -0.04 0.59 0.34 0.25 0.02 0.00 0.00 175.26 176.42 1g91 n THR 31 N 0.23 0.00 -2.19 3.63 -2.24 -0.97 -4.91 114.28 107.83 1g91 n THR 31 Ca -0.06 -0.03 -0.38 0.00 -2.27 0.00 0.00 64.05 61.31 1g91 n THR 31 Cb 0.52 -0.48 -0.01 0.00 -2.10 0.00 0.00 70.33 68.26 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 -2.45 6.20 0.00 3.42 0.01 -1.26 -4.88 114.94 115.98 1g91 s ASN 32 Ca 0.26 2.41 0.15 0.00 -0.71 0.00 0.00 52.86 54.97 1g91 s ASN 32 Cb -0.04 -2.61 0.68 0.00 0.41 0.00 0.00 41.25 39.69 1g91 s ASN 32 CO 0.21 -0.90 1.48 -1.20 -1.51 0.00 0.00 177.10 175.18 1g91 n SER 33 N -0.30 0.00 -0.11 -1.22 7.64 -1.26 -1.85 113.62 116.52 1g91 n SER 33 Ca 0.06 0.41 0.13 0.00 1.01 0.00 0.00 58.87 60.48 1g91 n SER 33 Cb 0.47 -0.46 0.40 0.00 -1.01 0.00 0.00 64.21 63.61 1g91 n SER 33 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1g91 n GLU 34 N -1.46 0.44 -2.61 1.43 1.02 -1.26 -4.82 120.64 113.38 1g91 n GLU 34 Ca 0.04 -0.23 -0.43 0.00 -0.02 0.00 0.00 57.16 56.53 1g91 n GLU 34 Cb 0.17 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.07 1g91 n GLU 34 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1g91 h SER 36 N 7.43 0.00 -4.04 0.00 0.87 -1.89 -3.22 113.55 112.69 1g91 h SER 36 Ca -0.26 0.00 -0.63 0.00 -1.23 0.00 0.00 61.79 59.67 1g91 h SER 36 Cb 1.11 0.00 -0.41 0.00 -0.44 0.00 0.00 62.40 62.66 1g91 h SER 36 CO 0.92 0.00 -0.62 -0.54 -0.53 0.00 0.00 176.83 176.06 1g91 s LYS 37 N -4.47 2.08 0.82 2.24 -0.14 -1.26 -5.09 119.74 113.92 1g91 s LYS 37 Ca -0.04 -2.79 -0.12 0.00 -1.36 0.00 0.00 55.97 51.66 1g91 s LYS 37 Cb 0.14 -3.31 0.09 0.00 -1.68 0.00 0.00 37.83 33.06 1g91 s LYS 37 CO 0.48 -1.15 1.14 -1.25 -0.76 0.00 0.00 175.35 173.81 1g91 s PRO 38 N -0.56 1.86 0.00 -1.68 0.04 -1.22 -3.36 135.00 130.08 1g91 s PRO 38 Ca 0.19 0.29 0.00 0.00 0.04 0.00 0.00 61.00 61.52 1g91 s PRO 38 Cb -0.21 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.41 1g91 s PRO 38 CO -0.04 -1.70 0.00 0.41 0.04 0.00 0.00 177.00 175.71 1g91 n GLY 39 N -2.76 -0.38 3.59 0.56 0.00 -1.26 -4.88 105.19 100.06 1g91 n GLY 39 Ca 0.07 -0.94 -0.35 0.00 0.00 0.00 0.00 46.02 44.80 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 4.57 -0.20 1.61 1.01 -0.66 -2.30 120.40 122.42 1g91 s VAL 40 Ca 0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 61.98 61.84 1g91 s VAL 40 Cb 0.00 -3.06 -0.01 0.00 0.00 0.00 0.00 36.38 33.32 1g91 s VAL 40 CO 0.00 0.45 -0.07 -0.63 0.00 0.00 0.00 175.10 174.85 1g91 s ILE 41 N 0.50 3.23 -0.13 2.22 1.01 0.17 0.13 121.20 128.33 1g91 s ILE 41 Ca 0.02 -0.55 -0.07 0.00 0.00 0.00 0.00 60.65 60.05 1g91 s ILE 41 Cb -0.13 -2.45 -0.04 0.00 0.01 0.00 0.00 42.46 39.85 1g91 s ILE 41 CO 0.01 0.45 0.11 -0.36 0.00 0.00 0.00 174.94 175.15 1g91 s PHE 42 N 1.26 3.47 -0.23 3.97 0.40 -0.87 -1.22 117.98 124.76 1g91 s PHE 42 Ca 0.03 0.41 -0.09 0.00 -0.60 0.00 0.00 56.93 56.68 1g91 s PHE 42 Cb -0.14 -1.96 -0.04 0.00 0.51 0.00 0.00 43.02 41.39 1g91 s PHE 42 CO -0.03 0.58 0.12 -1.17 0.70 0.00 0.00 175.22 175.43 1g91 s LEU 43 N -0.70 3.92 0.81 -0.37 0.20 -0.48 -2.24 118.68 119.83 1g91 s LEU 43 Ca 0.13 0.05 -0.10 0.00 0.69 0.00 0.00 54.13 54.89 1g91 s LEU 43 Cb -0.12 -2.04 0.11 0.00 -0.43 0.00 0.00 46.19 43.72 1g91 s LEU 43 CO 0.03 0.07 1.14 0.42 -0.29 0.00 0.00 176.35 177.72 1g91 s THR 44 N 1.00 2.11 -2.00 3.68 -4.23 0.17 -0.17 115.64 116.20 1g91 s THR 44 Ca 0.06 -0.16 0.20 0.00 -1.18 0.00 0.00 61.69 60.60 1g91 s THR 44 Cb -0.14 -2.95 0.56 0.00 1.34 0.00 0.00 72.50 71.31 1g91 s THR 44 CO 0.04 0.00 1.68 1.17 -0.54 0.00 0.00 174.62 176.97 1g91 n LYS 45 N -3.25 0.90 -1.03 3.99 3.00 -1.26 -3.12 118.16 117.39 1g91 n LYS 45 Ca 0.11 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.29 1g91 n LYS 45 Cb 0.60 -1.34 0.22 0.00 0.00 0.00 0.00 35.03 34.51 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 -0.84 2.51 -3.46 1.64 4.01 -1.26 -4.89 118.16 115.87 1g91 n LYS 46 Ca 0.15 -3.07 -0.24 0.00 -0.51 0.00 0.00 58.31 54.63 1g91 n LYS 46 Cb 0.07 -2.08 0.06 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 -0.89 -0.53 3.31 0.72 0.00 -1.18 -4.98 105.19 101.64 1g91 n GLY 47 Ca 0.47 0.21 -0.20 0.00 0.00 0.00 0.00 46.02 46.50 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 -6.17 1.23 -0.07 1.61 3.52 -1.25 -4.97 118.95 112.85 1g91 s ARG 48 Ca 0.51 -1.43 -0.10 0.00 -0.13 0.00 0.00 55.73 54.58 1g91 s ARG 48 Cb -0.23 -1.14 0.02 0.00 -1.56 0.00 0.00 34.95 32.04 1g91 s ARG 48 CO 0.63 0.21 0.26 -0.98 -0.81 0.00 0.00 175.30 174.61 1g91 s ARG 49 N -3.07 0.41 0.04 5.12 1.70 -1.26 0.43 118.95 122.31 1g91 s ARG 49 Ca 0.16 0.14 0.03 0.00 -0.47 0.00 0.00 55.73 55.59 1g91 s ARG 49 Cb -0.04 0.19 -0.02 0.00 -0.57 0.00 0.00 34.95 34.51 1g91 s ARG 49 CO 0.06 -0.08 -0.09 -0.59 -1.08 0.00 0.00 175.30 173.52 1g91 s PHE 50 N -0.38 0.76 0.62 5.89 -0.12 -0.95 -4.94 117.98 118.86 1g91 s PHE 50 Ca -0.05 -0.41 -0.13 0.00 -0.05 0.00 0.00 56.93 56.30 1g91 s PHE 50 Cb -0.03 -0.45 -0.03 0.00 -0.63 0.00 0.00 43.02 41.87 1g91 s PHE 50 CO 0.01 -0.04 1.04 0.00 -0.05 0.00 0.00 175.22 176.18 1g91 s ALA 52 N -2.91 0.06 0.06 0.00 0.00 0.35 -2.44 121.76 116.87 1g91 s ALA 52 Ca 0.58 -0.97 -0.25 0.00 0.00 0.00 0.00 51.96 51.33 1g91 s ALA 52 Cb -0.13 0.99 -0.06 0.00 0.00 0.00 0.00 23.12 23.92 1g91 s ALA 52 CO 0.47 -0.70 0.76 1.21 0.00 0.00 0.00 175.76 177.50 1g91 s ASN 53 N -3.00 7.22 0.36 0.00 3.84 -1.26 -1.66 114.94 120.44 1g91 s ASN 53 Ca 0.21 1.46 0.26 0.00 0.21 0.00 0.00 52.86 55.00 1g91 s ASN 53 Cb 0.03 -2.47 0.86 0.00 -0.55 0.00 0.00 41.25 39.12 1g91 s ASN 53 CO 0.04 0.05 1.77 1.55 -2.79 0.00 0.00 177.10 177.72 1g91 h PRO 54 N 5.47 0.00 -0.56 0.43 0.13 -1.92 -2.77 132.00 132.78 1g91 h PRO 54 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1g91 h PRO 54 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1g91 h PRO 54 CO 0.70 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.90 1g91 n SER 55 N -2.67 3.51 -4.73 1.44 7.64 -1.26 -4.81 113.62 112.75 1g91 n SER 55 Ca 0.03 -1.98 -0.41 0.00 1.01 0.00 0.00 58.87 57.51 1g91 n SER 55 Cb 0.38 -0.37 -0.03 0.00 -1.01 0.00 0.00 64.21 63.18 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 -1.21 7.15 0.36 6.43 -1.08 -1.05 -4.91 116.67 122.36 1g91 s ASP 56 Ca 0.43 2.09 0.08 0.00 -0.52 0.00 0.00 52.55 54.63 1g91 s ASP 56 Cb 0.23 -2.60 0.67 0.00 -1.46 0.00 0.00 42.92 39.77 1g91 s ASP 56 CO 0.31 -0.35 1.86 0.50 0.52 0.00 0.00 175.17 178.01 1g91 h LYS 57 N 5.76 0.30 0.00 4.34 1.63 -1.91 -1.76 116.57 124.92 1g91 h LYS 57 Ca -0.43 -0.08 -0.06 0.00 -0.85 0.00 0.00 60.65 59.22 1g91 h LYS 57 Cb 1.21 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.80 1g91 h LYS 57 CO 0.76 0.47 -0.30 1.96 -3.45 0.00 0.00 179.45 178.89 1g91 h GLN 58 N 0.28 0.00 -0.02 1.90 1.08 -1.95 -2.57 115.11 113.83 1g91 h GLN 58 Ca 0.05 0.00 -0.20 0.00 -1.45 0.00 0.00 58.65 57.05 1g91 h GLN 58 Cb 0.46 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 27.91 1g91 h GLN 58 CO 0.03 0.30 -0.77 0.28 -0.95 0.00 0.00 178.83 177.72 1g91 h VAL 59 N 0.00 1.36 -0.36 -0.54 2.07 -1.62 -2.26 116.25 114.90 1g91 h VAL 59 Ca -0.00 -2.11 -0.05 0.00 0.82 0.00 0.00 66.70 65.36 1g91 h VAL 59 Cb 0.73 2.44 -0.02 0.00 -1.52 0.00 0.00 31.29 32.92 1g91 h VAL 59 CO 0.04 0.63 0.01 0.06 0.02 0.00 0.00 177.57 178.33 1g91 h GLN 60 N 0.14 0.56 -0.15 1.57 3.07 -1.34 -1.97 115.11 116.99 1g91 h GLN 60 Ca -0.09 -0.12 -0.18 0.00 0.09 0.00 0.00 58.65 58.35 1g91 h GLN 60 Cb 1.44 -0.08 -0.00 0.00 0.08 0.00 0.00 27.48 28.92 1g91 h GLN 60 CO 0.15 0.58 -0.64 0.28 0.09 0.00 0.00 178.83 179.29 1g91 h VAL 61 N 0.54 1.33 -0.06 1.86 2.07 -1.45 -3.00 116.25 117.53 1g91 h VAL 61 Ca 0.12 -1.93 -0.08 0.00 0.82 0.00 0.00 66.70 65.63 1g91 h VAL 61 Cb 0.33 1.90 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 1g91 h VAL 61 CO 0.01 0.60 -0.32 0.00 0.02 0.00 0.00 177.57 177.88 1g91 h MET 63 N 0.10 0.68 0.00 0.00 2.07 -1.23 0.22 114.93 116.78 1g91 h MET 63 Ca 0.01 -0.04 0.00 0.00 -2.07 0.00 0.00 59.70 57.60 1g91 h MET 63 Cb 0.62 -0.15 0.00 0.00 -1.87 0.00 0.00 31.60 30.20 1g91 h MET 63 CO 0.05 0.45 0.00 0.54 1.07 0.00 0.00 176.91 179.01 1g91 n ARG 64 N -4.76 0.10 -0.10 1.72 5.12 -1.07 -1.35 116.66 116.32 1g91 n ARG 64 Ca 0.07 0.53 -0.23 0.00 -1.93 0.00 0.00 57.85 56.29 1g91 n ARG 64 Cb 0.12 -1.78 -0.12 0.00 -1.16 0.00 0.00 32.46 29.53 1g91 n ARG 64 CO 0.00 0.00 0.00 -0.12 -1.93 0.00 0.00 177.63 175.58 1g91 n MET 65 N -1.98 0.59 -0.23 5.56 1.56 0.70 -4.30 117.12 119.01 1g91 n MET 65 Ca -0.00 0.50 -0.07 0.00 -0.27 0.00 0.00 57.70 57.85 1g91 n MET 65 Cb 0.07 -1.71 0.04 0.00 2.15 0.00 0.00 33.22 33.77 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 -0.87 0.93-10.46 -0.89 -0.00 -0.95 -3.44 115.31 99.63 1g91 h LEU 66 Ca -0.41 -0.19 -0.42 0.00 -0.00 0.00 0.00 57.88 56.86 1g91 h LEU 66 Cb 1.44 -0.24 0.19 0.00 -0.00 0.00 0.00 40.66 42.04 1g91 h LEU 66 CO -0.21 0.88 0.18 -0.54 -0.00 0.00 0.00 178.44 178.75 1g91 s LYS 67 N -5.47 -0.94 -0.20 1.13 1.02 -0.46 -4.92 119.74 109.91 1g91 s LYS 67 Ca -0.13 -0.13 -0.29 0.00 0.02 0.00 0.00 55.97 55.44 1g91 s LYS 67 Cb 0.14 -1.63 -0.02 0.00 -0.52 0.00 0.00 37.83 35.79 1g91 s LYS 67 CO 0.82 -3.52 1.43 -0.51 -0.92 0.00 0.00 175.35 172.65 1g91 s LEU 68 N -6.78 4.04 -1.17 3.17 1.43 -1.26 -4.90 118.68 113.21 1g91 s LEU 68 Ca 0.71 1.62 -0.20 0.00 -1.03 0.00 0.00 54.13 55.23 1g91 s LEU 68 Cb -0.09 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.55 1g91 s LEU 68 CO 0.56 -1.01 1.90 -0.90 0.23 0.00 0.00 176.35 177.13 1g91 n ASP 69 N 7.47 3.59 -4.68 2.29 5.68 -1.26 -4.91 116.55 124.73 1g91 n ASP 69 Ca 0.16 -2.77 -0.35 0.00 -0.50 0.00 0.00 54.79 51.33 1g91 n ASP 69 Cb 0.45 -1.63 -0.09 0.00 -1.14 0.00 0.00 41.12 38.71 1g91 n ASP 69 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1g91 s THR 70 N 7.44 4.77 -0.33 2.12 2.01 -1.26 -5.06 115.64 125.34 1g91 s THR 70 Ca 0.61 -0.05 0.04 0.00 0.31 0.00 0.00 61.69 62.60 1g91 s THR 70 Cb 0.04 -3.11 0.17 0.00 0.01 0.00 0.00 72.50 69.62 1g91 s THR 70 CO 0.10 0.52 0.49 -0.60 -0.69 0.00 0.00 174.62 174.44 1g91 s ARG 71 N -0.10 0.57 -1.33 4.92 3.52 -1.26 -5.03 118.95 120.24 1g91 s ARG 71 Ca 0.07 -0.03 -0.09 0.00 -0.13 0.00 0.00 55.73 55.55 1g91 s ARG 71 Cb -0.12 -0.16 -0.09 0.00 -1.56 0.00 0.00 34.95 33.02 1g91 s ARG 71 CO 0.01 -1.10 3.00 0.44 -0.81 0.00 0.00 175.30 176.84 1g91 n ILE 72 N 4.97 4.22 0.00 4.11 -5.35 -1.26 -4.80 119.36 121.25 1g91 n ILE 72 Ca 0.06 -2.63 0.00 0.00 -0.27 0.00 0.00 62.75 59.91 1g91 n ILE 72 Cb 0.51 -2.45 0.00 0.00 -1.74 0.00 0.00 39.64 35.97 1g91 n ILE 72 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1g91 n LYS 73 N 3.16 0.00 -0.54 6.28 4.81 -1.26 -4.87 118.16 125.73 1g91 n LYS 73 Ca 0.71 0.00 0.07 0.00 -0.87 0.00 0.00 58.31 58.22 1g91 n LYS 73 Cb 0.34 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.36 1g91 n LYS 73 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1g91 n THR 74 N 0.00 0.00 0.00 3.15 -1.04 -1.26 -4.89 114.28 110.24 1g91 n THR 74 Ca 0.00 0.16 0.00 0.00 -2.04 0.00 0.00 64.05 62.17 1g91 n THR 74 Cb 0.00 -0.34 0.00 0.00 -1.82 0.00 0.00 70.33 68.17 1g91 n THR 74 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1g91 n ARG 75 N -3.06 1.84 -2.77 -2.82 0.63 -1.26 -5.02 116.66 104.21 1g91 n ARG 75 Ca -0.01 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.82 1g91 n ARG 75 Cb 0.25 0.00 0.07 0.00 0.45 0.00 0.00 32.46 33.23 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 0.00 0.94 0.00 -0.14 5.02 -1.26 -5.20 118.16 117.52 1g91 n LYS 76 Ca 0.00 -1.97 0.10 0.00 -2.02 0.00 0.00 58.31 54.42 1g91 n LYS 76 Cb 0.00 -1.19 0.60 0.00 -0.02 0.00 0.00 35.03 34.42 1g91 n LYS 76 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97