#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 -0.07 -3.21 3.17 8.00 -1.26 -5.10 116.55 118.07 1g91 n ASP 2 Ca 0.00 0.32 -0.11 0.00 0.71 0.00 0.00 54.79 55.71 1g91 n ASP 2 Cb 0.00 0.25 0.11 0.00 -0.02 0.00 0.00 41.12 41.46 1g91 n ASP 2 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1g91 n ARG 3 N -3.17 -1.76 -3.18 -1.24 5.12 -1.26 -4.97 116.66 106.20 1g91 n ARG 3 Ca 0.00 -0.54 -0.25 0.00 -1.93 0.00 0.00 57.85 55.13 1g91 n ARG 3 Cb 0.01 -0.88 -0.01 0.00 -1.16 0.00 0.00 32.46 30.42 1g91 n ARG 3 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 1g91 s PHE 4 N -1.43 3.52 -0.34 -1.55 0.40 -1.26 -5.00 117.98 112.31 1g91 s PHE 4 Ca 0.25 0.49 0.04 0.00 -0.60 0.00 0.00 56.93 57.10 1g91 s PHE 4 Cb -0.04 -2.01 -0.00 0.00 0.51 0.00 0.00 43.02 41.47 1g91 s PHE 4 CO 0.21 0.02 0.39 0.72 0.70 0.00 0.00 175.22 177.26 1g91 n HIS 5 N -1.87 0.00 -3.00 0.36 8.25 -1.26 -4.73 115.22 112.97 1g91 n HIS 5 Ca -0.03 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.15 1g91 n HIS 5 Cb 0.56 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.63 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 -0.42 4.68 -3.26 -1.41 0.00 -1.26 -5.01 120.51 113.83 1g91 n ALA 6 Ca 0.02 -4.72 -0.37 0.00 0.00 0.00 0.00 53.44 48.37 1g91 n ALA 6 Cb 0.08 -0.86 -0.13 0.00 0.00 0.00 0.00 19.45 18.54 1g91 n ALA 6 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1g91 s THR 7 N -4.14 3.74 0.19 0.00 2.01 -1.26 -4.96 115.64 111.22 1g91 s THR 7 Ca 0.47 -1.05 -0.09 0.00 0.31 0.00 0.00 61.69 61.33 1g91 s THR 7 Cb 0.25 -3.07 0.06 0.00 0.01 0.00 0.00 72.50 69.75 1g91 s THR 7 CO -0.12 -0.11 1.64 0.28 -0.69 0.00 0.00 174.62 175.63 1g91 h SER 8 N 8.20 1.03 -1.64 3.53 0.02 -2.02 -3.41 113.55 119.27 1g91 h SER 8 Ca -0.25 -0.31 -0.62 0.00 -0.84 0.00 0.00 61.79 59.77 1g91 h SER 8 Cb 1.09 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 63.35 1g91 h SER 8 CO 0.60 1.10 1.41 0.00 -1.14 0.00 0.00 176.83 178.80 1g91 n ALA 9 N -2.49 1.39 -0.34 3.77 0.00 -1.26 -4.74 120.51 116.84 1g91 n ALA 9 Ca 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1g91 n ALA 9 Cb 0.36 -2.72 0.00 0.00 0.00 0.00 0.00 19.45 17.10 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 10.27 0.00 -5.03 0.00 2.03 -1.26 -5.12 116.55 117.45 1g91 n ASP 10 Ca 0.33 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 55.44 1g91 n ASP 10 Cb 0.34 0.00 0.07 0.00 -0.72 0.00 0.00 41.12 40.81 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 3.30 0.02 -3.94 0.00 5.41 -1.26 -4.74 119.36 118.14 1g91 n ILE 13 Ca -0.17 -0.09 -0.10 0.00 1.00 0.00 0.00 62.75 63.39 1g91 n ILE 13 Cb 0.53 0.29 -0.11 0.00 -0.71 0.00 0.00 39.64 39.63 1g91 n ILE 13 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 1g91 s SER 14 N -2.53 0.17 0.34 4.38 0.01 -1.26 -5.17 113.70 109.65 1g91 s SER 14 Ca -0.01 -0.39 0.09 0.00 1.31 0.00 0.00 55.95 56.94 1g91 s SER 14 Cb 0.02 0.13 -0.06 0.00 0.21 0.00 0.00 66.02 66.33 1g91 s SER 14 CO 0.16 -0.31 0.01 -0.31 0.41 0.00 0.00 173.24 173.20 1g91 s TYR 15 N -1.37 2.53 -0.34 2.43 2.02 -1.26 -4.35 117.35 117.01 1g91 s TYR 15 Ca -0.15 -0.45 -0.29 0.00 -0.37 0.00 0.00 57.07 55.81 1g91 s TYR 15 Cb -0.09 -1.50 0.01 0.00 -0.40 0.00 0.00 41.96 39.98 1g91 s TYR 15 CO -0.00 0.48 1.24 -0.08 -1.57 0.00 0.00 175.55 175.61 1g91 s THR 16 N -2.54 4.21 -1.26 -0.71 -1.32 -0.97 -4.91 115.64 108.14 1g91 s THR 16 Ca 0.35 1.35 -0.17 0.00 -1.21 0.00 0.00 61.69 62.01 1g91 s THR 16 Cb 0.01 -4.28 -0.01 0.00 -1.51 0.00 0.00 72.50 66.70 1g91 s THR 16 CO 0.19 -0.58 2.11 -0.81 -2.21 0.00 0.00 174.62 173.32 1g91 n PRO 17 N 7.36 2.50 -3.57 7.08 -0.04 -1.26 -4.85 135.00 142.23 1g91 n PRO 17 Ca 0.14 -2.46 -0.12 0.00 -0.04 0.00 0.00 63.50 61.02 1g91 n PRO 17 Cb 0.47 -3.22 -0.04 0.00 -0.04 0.00 0.00 33.50 30.66 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 3.83 1.10 -0.92 0.54 0.52 -1.26 -5.09 118.95 117.67 1g91 s ARG 18 Ca 0.51 -0.50 -0.18 0.00 -0.52 0.00 0.00 55.73 55.03 1g91 s ARG 18 Cb 0.13 0.50 0.14 0.00 0.52 0.00 0.00 34.95 36.23 1g91 s ARG 18 CO -0.02 -0.43 1.11 0.45 0.02 0.00 0.00 175.30 176.42 1g91 s SER 19 N -2.52 6.63 -0.16 0.23 0.15 -1.26 -5.00 113.70 111.77 1g91 s SER 19 Ca -0.00 -2.08 -0.13 0.00 0.70 0.00 0.00 55.95 54.45 1g91 s SER 19 Cb 0.00 -2.39 -0.05 0.00 -1.71 0.00 0.00 66.02 61.88 1g91 s SER 19 CO -0.09 -1.04 0.26 -0.63 1.20 0.00 0.00 173.24 172.94 1g91 s ILE 20 N 2.55 5.33 0.43 6.45 1.09 -1.26 -5.07 121.20 130.71 1g91 s ILE 20 Ca 0.32 0.47 -0.22 0.00 -1.10 0.00 0.00 60.65 60.13 1g91 s ILE 20 Cb -0.05 -3.59 -0.10 0.00 -1.06 0.00 0.00 42.46 37.66 1g91 s ILE 20 CO -0.09 0.42 0.98 -2.16 -0.10 0.00 0.00 174.94 173.98 1g91 s PRO 21 N 0.29 4.17 0.48 2.79 0.04 -1.26 -4.93 135.00 136.57 1g91 s PRO 21 Ca 0.15 1.22 0.32 0.00 0.04 0.00 0.00 61.00 62.74 1g91 s PRO 21 Cb -0.13 -2.25 1.62 0.00 0.04 0.00 0.00 34.50 33.78 1g91 s PRO 21 CO 0.03 -0.10 1.98 0.00 0.04 0.00 0.00 177.00 178.96 1g91 n SER 23 N -2.71 0.00 -1.53 0.00 2.88 -1.26 -2.62 113.62 108.38 1g91 n SER 23 Ca -0.01 0.13 -0.08 0.00 -1.33 0.00 0.00 58.87 57.58 1g91 n SER 23 Cb 0.13 -0.35 0.22 0.00 -0.75 0.00 0.00 64.21 63.46 1g91 n SER 23 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1g91 n LEU 24 N -1.35 5.08 -3.92 2.46 4.32 -0.24 -4.96 117.00 118.40 1g91 n LEU 24 Ca 0.08 -3.56 -0.10 0.00 -0.02 0.00 0.00 56.01 52.41 1g91 n LEU 24 Cb 0.19 -0.70 -0.11 0.00 -1.62 0.00 0.00 43.42 41.18 1g91 n LEU 24 CO 0.17 1.07 -0.28 -0.76 -1.22 0.00 0.00 177.39 176.37 1g91 s LEU 25 N -3.18 1.92 -0.24 2.23 1.43 -1.08 -4.54 118.68 115.22 1g91 s LEU 25 Ca 0.49 -0.28 -0.03 0.00 -1.03 0.00 0.00 54.13 53.27 1g91 s LEU 25 Cb 0.42 0.32 -0.17 0.00 0.03 0.00 0.00 46.19 46.79 1g91 s LEU 25 CO 0.06 -0.27 -0.15 -0.62 0.23 0.00 0.00 176.35 175.59 1g91 n GLU 26 N 1.81 0.65 -3.91 1.70 1.02 -0.11 -4.90 120.64 116.91 1g91 n GLU 26 Ca -0.21 0.20 -0.11 0.00 -0.02 0.00 0.00 57.16 57.02 1g91 n GLU 26 Cb 0.56 -1.55 -0.00 0.00 -0.02 0.00 0.00 31.44 30.43 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 -6.80 0.27 0.11 1.62 0.01 -1.21 -4.99 113.70 102.71 1g91 s SER 27 Ca -0.34 -1.20 -0.16 0.00 1.31 0.00 0.00 55.95 55.56 1g91 s SER 27 Cb 0.10 0.77 0.03 0.00 0.21 0.00 0.00 66.02 67.13 1g91 s SER 27 CO 0.60 -1.51 0.38 -0.72 0.41 0.00 0.00 173.24 172.40 1g91 s TYR 28 N -2.77 -0.17 0.21 2.43 1.13 -1.26 -0.10 117.35 116.81 1g91 s TYR 28 Ca 0.20 -0.11 -0.11 0.00 -1.41 0.00 0.00 57.07 55.64 1g91 s TYR 28 Cb -0.03 0.22 -0.01 0.00 -1.10 0.00 0.00 41.96 41.04 1g91 s TYR 28 CO 0.14 -0.66 0.38 -0.59 -2.51 0.00 0.00 175.55 172.31 1g91 s PHE 29 N -3.61 0.40 0.31 -3.49 -0.71 -0.67 -4.96 117.98 105.25 1g91 s PHE 29 Ca 0.02 -0.75 0.08 0.00 -1.04 0.00 0.00 56.93 55.24 1g91 s PHE 29 Cb 0.02 0.05 -0.03 0.00 -1.21 0.00 0.00 43.02 41.85 1g91 s PHE 29 CO -0.10 -0.86 0.22 -1.21 -1.34 0.00 0.00 175.22 171.93 1g91 s GLU 30 N -4.00 2.69 0.39 1.99 2.02 -1.26 0.37 118.70 120.90 1g91 s GLU 30 Ca 0.21 -1.28 0.04 0.00 0.02 0.00 0.00 54.97 53.96 1g91 s GLU 30 Cb 0.01 -2.43 -0.00 0.00 0.10 0.00 0.00 34.13 31.81 1g91 s GLU 30 CO 0.05 0.20 0.57 0.95 0.02 0.00 0.00 175.26 177.05 1g91 s THR 31 N -2.28 3.93 -0.24 3.63 -4.23 -0.72 -4.88 115.64 110.85 1g91 s THR 31 Ca 0.37 -0.79 -0.36 0.00 -1.18 0.00 0.00 61.69 59.74 1g91 s THR 31 Cb -0.06 -3.40 -0.13 0.00 1.34 0.00 0.00 72.50 70.25 1g91 s THR 31 CO 0.25 -0.21 1.96 0.59 -0.54 0.00 0.00 174.62 176.66 1g91 n ASN 32 N -1.86 2.68 0.19 3.99 3.02 -1.26 -4.75 115.26 117.27 1g91 n ASN 32 Ca 0.01 0.80 0.13 0.00 -0.03 0.00 0.00 54.58 55.49 1g91 n ASN 32 Cb 0.58 -1.27 0.68 0.00 -0.61 0.00 0.00 39.78 39.17 1g91 n ASN 32 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1g91 h SER 33 N 9.84 0.00 -0.36 6.41 4.64 -1.98 -2.26 113.55 129.84 1g91 h SER 33 Ca -0.40 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 61.02 1g91 h SER 33 Cb 1.30 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.38 1g91 h SER 33 CO 0.98 0.00 0.52 -0.33 -0.87 0.00 0.00 176.83 177.13 1g91 h GLU 34 N 0.00 0.00 -6.82 4.77 5.08 -2.02 -3.40 114.58 112.19 1g91 h GLU 34 Ca 0.00 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.87 1g91 h GLU 34 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1g91 h GLU 34 CO 0.00 0.00 0.42 0.00 -1.00 0.00 0.00 179.01 178.43 1g91 h SER 36 N 3.65 -0.36 -3.89 0.00 4.64 -1.92 -3.30 113.55 112.37 1g91 h SER 36 Ca -0.47 0.11 -0.69 0.00 -0.47 0.00 0.00 61.79 60.28 1g91 h SER 36 Cb 1.21 0.24 -0.36 0.00 -0.31 0.00 0.00 62.40 63.17 1g91 h SER 36 CO 0.66 -0.13 -0.48 -0.54 -0.87 0.00 0.00 176.83 175.47 1g91 s LYS 37 N -6.21 2.22 0.20 4.77 1.02 -1.26 -5.08 119.74 115.40 1g91 s LYS 37 Ca -0.14 -2.23 -0.03 0.00 0.02 0.00 0.00 55.97 53.58 1g91 s LYS 37 Cb 0.14 -3.60 0.05 0.00 -0.52 0.00 0.00 37.83 33.90 1g91 s LYS 37 CO 0.70 -1.11 0.25 -0.35 -0.92 0.00 0.00 175.35 173.92 1g91 n PRO 38 N 3.91 -0.51 -3.85 -1.68 -0.04 -1.25 -4.56 135.00 127.03 1g91 n PRO 38 Ca 0.03 -0.40 0.03 0.00 -0.04 0.00 0.00 63.50 63.13 1g91 n PRO 38 Cb 0.39 -0.28 0.01 0.00 -0.04 0.00 0.00 33.50 33.57 1g91 n PRO 38 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1g91 s GLY 39 N -3.43 -0.26 0.07 0.55 0.00 -1.26 -4.84 107.32 98.15 1g91 s GLY 39 Ca 0.15 0.34 0.07 0.00 0.00 0.00 0.00 44.72 45.28 1g91 s GLY 39 CO 0.11 3.79 -0.14 0.14 0.00 0.00 0.00 173.10 177.00 1g91 s VAL 40 N -2.11 3.13 -0.25 1.40 1.01 -0.91 -1.76 120.40 120.91 1g91 s VAL 40 Ca 0.24 -1.23 0.01 0.00 0.00 0.00 0.00 61.98 61.01 1g91 s VAL 40 Cb 0.02 -2.41 0.05 0.00 0.00 0.00 0.00 36.38 34.04 1g91 s VAL 40 CO -0.03 0.21 -0.09 -0.63 0.00 0.00 0.00 175.10 174.56 1g91 s ILE 41 N -1.09 2.43 -0.11 2.22 1.01 0.16 0.16 121.20 125.98 1g91 s ILE 41 Ca 0.18 -1.39 -0.21 0.00 0.00 0.00 0.00 60.65 59.24 1g91 s ILE 41 Cb -0.11 -2.33 -0.04 0.00 0.01 0.00 0.00 42.46 39.99 1g91 s ILE 41 CO 0.10 0.08 0.59 -0.36 0.00 0.00 0.00 174.94 175.35 1g91 s PHE 42 N 1.19 3.52 -0.01 3.97 0.40 -0.40 -1.67 117.98 124.98 1g91 s PHE 42 Ca -0.05 1.05 -0.12 0.00 -0.60 0.00 0.00 56.93 57.21 1g91 s PHE 42 Cb -0.18 -2.70 -0.05 0.00 0.51 0.00 0.00 43.02 40.60 1g91 s PHE 42 CO -0.05 0.08 0.35 -1.17 0.70 0.00 0.00 175.22 175.13 1g91 s LEU 43 N 0.89 4.44 0.52 -0.37 2.96 0.86 -2.21 118.68 125.76 1g91 s LEU 43 Ca 0.31 0.83 0.08 0.00 -0.22 0.00 0.00 54.13 55.14 1g91 s LEU 43 Cb -0.16 -2.55 0.05 0.00 0.50 0.00 0.00 46.19 44.03 1g91 s LEU 43 CO 0.14 0.32 0.63 0.42 -1.32 0.00 0.00 176.35 176.53 1g91 s THR 44 N -1.13 2.25 -2.00 3.68 -4.23 0.17 -0.93 115.64 113.45 1g91 s THR 44 Ca 0.24 -1.14 0.18 0.00 -1.18 0.00 0.00 61.69 59.79 1g91 s THR 44 Cb -0.15 -2.39 0.52 0.00 1.34 0.00 0.00 72.50 71.82 1g91 s THR 44 CO 0.12 0.00 1.64 1.17 -0.54 0.00 0.00 174.62 177.01 1g91 n LYS 45 N -2.00 0.90 -0.98 3.99 4.81 -1.26 -3.13 118.16 120.48 1g91 n LYS 45 Ca 0.10 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.43 1g91 n LYS 45 Cb 0.62 -1.32 0.18 0.00 0.02 0.00 0.00 35.03 34.53 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 -0.82 2.03 -2.67 1.64 4.81 -1.26 -4.90 118.16 116.98 1g91 n LYS 46 Ca 0.14 -3.21 -0.19 0.00 -0.87 0.00 0.00 58.31 54.18 1g91 n LYS 46 Cb 0.06 -1.93 0.00 0.00 0.02 0.00 0.00 35.03 33.18 1g91 n LYS 46 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1g91 n GLY 47 N -1.11 -0.50 3.23 3.14 0.00 -1.18 -4.95 105.19 103.82 1g91 n GLY 47 Ca 0.41 0.04 -0.32 0.00 0.00 0.00 0.00 46.02 46.14 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 -5.31 3.11 -0.04 1.61 3.52 -1.26 -4.94 118.95 115.63 1g91 s ARG 48 Ca 0.12 -0.83 0.04 0.00 -0.13 0.00 0.00 55.73 54.92 1g91 s ARG 48 Cb -0.06 -2.41 -0.00 0.00 -1.56 0.00 0.00 34.95 30.92 1g91 s ARG 48 CO 0.15 0.13 -0.16 -0.98 -0.81 0.00 0.00 175.30 173.62 1g91 s ARG 49 N 0.49 1.69 0.12 5.12 1.70 -1.26 0.42 118.95 127.24 1g91 s ARG 49 Ca -0.14 -0.56 0.05 0.00 -0.47 0.00 0.00 55.73 54.62 1g91 s ARG 49 Cb -0.17 -1.47 -0.04 0.00 -0.57 0.00 0.00 34.95 32.71 1g91 s ARG 49 CO 0.05 0.21 -0.13 -0.59 -1.08 0.00 0.00 175.30 173.76 1g91 s PHE 50 N 0.12 1.35 0.47 5.89 -0.12 -0.94 -4.92 117.98 119.83 1g91 s PHE 50 Ca -0.05 -0.59 -0.20 0.00 -0.05 0.00 0.00 56.93 56.04 1g91 s PHE 50 Cb -0.12 -0.70 -0.09 0.00 -0.63 0.00 0.00 43.02 41.48 1g91 s PHE 50 CO 0.02 0.13 0.99 0.00 -0.05 0.00 0.00 175.22 176.30 1g91 s ALA 52 N -2.22 0.16 0.09 0.00 0.00 0.43 -2.29 121.76 117.93 1g91 s ALA 52 Ca 0.63 -0.84 -0.26 0.00 0.00 0.00 0.00 51.96 51.50 1g91 s ALA 52 Cb -0.12 0.29 -0.06 0.00 0.00 0.00 0.00 23.12 23.23 1g91 s ALA 52 CO 0.19 -0.36 0.79 1.21 0.00 0.00 0.00 175.76 177.60 1g91 s ASN 53 N -2.51 7.30 0.00 0.00 3.84 -1.26 -2.15 114.94 120.16 1g91 s ASN 53 Ca 0.01 1.55 0.20 0.00 0.21 0.00 0.00 52.86 54.83 1g91 s ASN 53 Cb 0.03 -2.49 1.22 0.00 -0.55 0.00 0.00 41.25 39.45 1g91 s ASN 53 CO -0.08 0.06 1.68 -0.81 -2.79 0.00 0.00 177.10 175.17 1g91 n PRO 54 N 2.43 0.83 0.00 0.43 -0.04 -1.26 -2.57 135.00 134.82 1g91 n PRO 54 Ca -0.03 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.51 1g91 n PRO 54 Cb 0.50 -1.38 0.01 0.00 -0.04 0.00 0.00 33.50 32.58 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 -0.88 1.72 -4.66 3.54 7.64 -1.26 -4.83 113.62 114.88 1g91 n SER 55 Ca 0.15 -1.36 -0.43 0.00 1.01 0.00 0.00 58.87 58.25 1g91 n SER 55 Cb 0.07 0.40 -0.02 0.00 -1.01 0.00 0.00 64.21 63.64 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 6.87 0.24 6.43 2.15 -1.06 -4.89 116.67 124.62 1g91 s ASP 56 Ca 0.14 1.83 -0.06 0.00 0.43 0.00 0.00 52.55 54.89 1g91 s ASP 56 Cb 0.13 -2.54 0.43 0.00 -0.30 0.00 0.00 42.92 40.64 1g91 s ASP 56 CO 0.37 -0.81 1.69 0.11 -0.17 0.00 0.00 175.17 176.36 1g91 h LYS 57 N 8.55 0.28 -0.35 4.34 1.57 -1.91 0.68 116.57 129.72 1g91 h LYS 57 Ca -0.30 -0.02 0.10 0.00 -1.87 0.00 0.00 60.65 58.57 1g91 h LYS 57 Cb 1.12 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.35 1g91 h LYS 57 CO 0.97 0.18 0.28 1.96 -0.57 0.00 0.00 179.45 182.27 1g91 h GLN 58 N 0.29 0.00 -0.05 3.15 1.08 -1.97 -1.34 115.11 116.27 1g91 h GLN 58 Ca 0.39 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.56 1g91 h GLN 58 Cb 0.65 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.08 1g91 h GLN 58 CO -0.48 0.00 -0.09 0.28 -0.95 0.00 0.00 178.83 177.59 1g91 h VAL 59 N 0.00 1.42 -0.08 -0.54 2.07 0.04 -2.67 116.25 116.49 1g91 h VAL 59 Ca 0.17 -1.38 0.02 0.00 0.82 0.00 0.00 66.70 66.33 1g91 h VAL 59 Cb 0.73 2.22 -0.00 0.00 -1.52 0.00 0.00 31.29 32.71 1g91 h VAL 59 CO -0.00 0.38 0.10 0.06 0.02 0.00 0.00 177.57 178.13 1g91 h GLN 60 N -0.35 0.00 -0.03 1.57 3.07 -0.84 -1.62 115.11 116.91 1g91 h GLN 60 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.71 1g91 h GLN 60 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.22 1g91 h GLN 60 CO 0.02 0.00 -0.12 0.28 0.09 0.00 0.00 178.83 179.10 1g91 h VAL 61 N 0.00 1.49 -0.83 1.86 2.07 -1.20 -3.18 116.25 116.46 1g91 h VAL 61 Ca 0.04 -1.62 0.05 0.00 0.82 0.00 0.00 66.70 65.99 1g91 h VAL 61 Cb 0.25 2.48 -0.05 0.00 -1.52 0.00 0.00 31.29 32.45 1g91 h VAL 61 CO -0.00 0.44 0.55 0.00 0.02 0.00 0.00 177.57 178.57 1g91 h MET 63 N 0.99 0.00 0.00 0.00 2.07 -1.37 0.20 114.93 116.82 1g91 h MET 63 Ca 0.34 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.97 1g91 h MET 63 Cb 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.84 1g91 h MET 63 CO -0.11 0.00 -0.02 -0.09 1.07 0.00 0.00 176.91 177.76 1g91 h ARG 64 N 0.00 0.00 -0.07 1.72 1.12 -0.73 -3.35 114.38 113.06 1g91 h ARG 64 Ca 0.01 0.00 0.02 0.00 -1.11 0.00 0.00 59.98 58.90 1g91 h ARG 64 Cb 0.20 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.14 1g91 h ARG 64 CO -0.00 0.00 -0.04 1.98 -3.11 0.00 0.00 179.97 178.80 1g91 h MET 65 N -0.55 -0.04 -2.82 0.20 4.05 -1.38 -2.75 114.93 111.64 1g91 h MET 65 Ca 0.00 0.00 -0.35 0.00 -0.28 0.00 0.00 59.70 59.07 1g91 h MET 65 Cb 0.02 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 30.82 1g91 h MET 65 CO 0.00 -0.03 1.74 1.28 0.23 0.00 0.00 176.91 180.14 1g91 n LEU 66 N -5.16 5.50 -4.23 3.39 4.77 0.70 -4.93 117.00 117.04 1g91 n LEU 66 Ca -0.05 -3.11 -0.34 0.00 -0.03 0.00 0.00 56.01 52.48 1g91 n LEU 66 Cb 0.09 -1.20 0.11 0.00 -2.33 0.00 0.00 43.42 40.09 1g91 n LEU 66 CO 0.29 1.22 -0.80 0.29 -1.33 0.00 0.00 177.39 177.06 1g91 n LYS 67 N 3.37 -0.70 0.04 3.23 4.76 -1.04 -4.79 118.16 123.02 1g91 n LYS 67 Ca 0.48 -0.19 0.04 0.00 -2.87 0.00 0.00 58.31 55.78 1g91 n LYS 67 Cb 0.40 -1.52 -0.08 0.00 -1.84 0.00 0.00 35.03 31.99 1g91 n LYS 67 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 1g91 n LEU 68 N 0.08 0.67 -0.75 -0.35 0.00 -1.26 -3.84 117.00 111.54 1g91 n LEU 68 Ca 0.02 0.28 0.08 0.00 0.00 0.00 0.00 56.01 56.38 1g91 n LEU 68 Cb 0.61 0.06 0.23 0.00 0.00 0.00 0.00 43.42 44.32 1g91 n LEU 68 CO 0.50 0.05 0.69 0.47 0.00 0.00 0.00 177.39 179.10 1g91 n ASP 69 N -2.73 2.20 -4.25 1.96 9.92 -1.26 -4.68 116.55 117.70 1g91 n ASP 69 Ca -0.08 -1.94 -0.43 0.00 -0.53 0.00 0.00 54.79 51.81 1g91 n ASP 69 Cb 0.74 -0.24 -0.05 0.00 -0.64 0.00 0.00 41.12 40.92 1g91 n ASP 69 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1g91 s THR 70 N -1.51 4.85 -0.70 -3.53 2.01 -1.25 -5.00 115.64 110.51 1g91 s THR 70 Ca 0.30 -2.25 -0.06 0.00 0.31 0.00 0.00 61.69 59.99 1g91 s THR 70 Cb 0.16 -4.08 0.18 0.00 0.01 0.00 0.00 72.50 68.77 1g91 s THR 70 CO 0.21 -0.91 0.56 -0.60 -0.69 0.00 0.00 174.62 173.19 1g91 s ARG 71 N 0.64 2.93 0.00 4.92 3.52 -1.26 -4.87 118.95 124.83 1g91 s ARG 71 Ca 0.12 -2.54 0.00 0.00 -0.13 0.00 0.00 55.73 53.18 1g91 s ARG 71 Cb -0.19 -3.97 0.00 0.00 -1.56 0.00 0.00 34.95 29.23 1g91 s ARG 71 CO -0.04 -1.21 0.00 0.44 -0.81 0.00 0.00 175.30 173.68 1g91 n ILE 72 N 3.59 -1.86 -4.49 4.11 -5.35 -1.26 -4.99 119.36 109.12 1g91 n ILE 72 Ca 0.10 0.46 -0.23 0.00 -0.27 0.00 0.00 62.75 62.81 1g91 n ILE 72 Cb 0.41 -2.80 -0.10 0.00 -1.74 0.00 0.00 39.64 35.40 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 -0.92 1.75 -0.33 6.28 2.20 -1.26 -4.94 119.74 122.51 1g91 s LYS 73 Ca 0.00 -2.00 -0.14 0.00 -0.36 0.00 0.00 55.97 53.48 1g91 s LYS 73 Cb 0.00 -0.91 0.02 0.00 -1.51 0.00 0.00 37.83 35.43 1g91 s LYS 73 CO 0.00 -0.23 0.35 2.41 -0.36 0.00 0.00 175.35 177.51 1g91 n THR 74 N -0.77 -8.66 -4.29 3.43 -1.04 -1.26 -4.63 114.28 97.06 1g91 n THR 74 Ca -0.04 0.96 0.00 0.00 -2.04 0.00 0.00 64.05 62.94 1g91 n THR 74 Cb 0.66 -5.84 0.00 0.00 -1.82 0.00 0.00 70.33 63.34 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 0.26 0.00 0.10 -2.82 0.63 -1.26 -4.82 116.66 108.74 1g91 n ARG 75 Ca 0.03 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.96 1g91 n ARG 75 Cb 0.38 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.29 1g91 n ARG 75 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1g91 n LYS 76 N 0.00 0.00 -0.87 -0.14 3.00 -1.26 -5.04 118.16 113.85 1g91 n LYS 76 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1g91 n LYS 76 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 35.03 34.95 1g91 n LYS 76 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69