#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 -8.90 -4.54 7.83 8.00 -1.26 -4.99 116.55 112.69 1g91 n ASP 2 Ca 0.00 1.37 -0.26 0.00 0.71 0.00 0.00 54.79 56.61 1g91 n ASP 2 Cb 0.00 -5.04 0.13 0.00 -0.02 0.00 0.00 41.12 36.19 1g91 n ASP 2 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1g91 s ARG 3 N -0.67 1.44 0.00 -1.24 3.03 -1.26 -4.99 118.95 115.26 1g91 s ARG 3 Ca 0.00 -0.70 0.23 0.00 2.03 0.00 0.00 55.73 57.30 1g91 s ARG 3 Cb 0.00 -2.14 0.21 0.00 -1.03 0.00 0.00 34.95 31.99 1g91 s ARG 3 CO 0.00 -1.73 1.21 1.19 -1.13 0.00 0.00 175.30 174.84 1g91 n PHE 4 N -3.16 0.00 -3.74 5.89 3.72 -1.26 -4.77 117.46 114.14 1g91 n PHE 4 Ca 0.14 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.26 1g91 n PHE 4 Cb 0.60 -0.12 -0.16 0.00 -0.94 0.00 0.00 39.48 38.86 1g91 n PHE 4 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 1g91 s HIS 5 N -2.90 1.11 0.00 1.38 2.46 -1.26 -4.94 115.29 111.13 1g91 s HIS 5 Ca 0.12 -0.95 0.00 0.00 0.47 0.00 0.00 55.06 54.70 1g91 s HIS 5 Cb 0.17 -1.09 0.00 0.00 -0.13 0.00 0.00 32.58 31.53 1g91 s HIS 5 CO 0.73 -0.64 0.24 0.00 -2.47 0.00 0.00 174.74 172.61 1g91 n ALA 6 N 5.03 1.31 -0.84 1.58 0.00 -1.26 -4.70 120.51 121.62 1g91 n ALA 6 Ca -0.09 -0.24 0.01 0.00 0.00 0.00 0.00 53.44 53.13 1g91 n ALA 6 Cb 0.47 0.00 0.34 0.00 0.00 0.00 0.00 19.45 20.26 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 -0.05 2.70 -2.92 0.00 -2.24 -1.26 -4.90 114.28 105.59 1g91 n THR 7 Ca 0.00 -1.41 -0.42 0.00 -2.27 0.00 0.00 64.05 59.95 1g91 n THR 7 Cb 0.10 -0.33 -0.05 0.00 -2.10 0.00 0.00 70.33 67.96 1g91 n THR 7 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1g91 s SER 8 N -0.81 6.70 0.87 3.42 0.15 -1.26 -5.02 113.70 117.75 1g91 s SER 8 Ca 0.52 0.73 -0.13 0.00 0.70 0.00 0.00 55.95 57.77 1g91 s SER 8 Cb 0.40 -2.42 0.04 0.00 -1.71 0.00 0.00 66.02 62.34 1g91 s SER 8 CO 0.14 -0.61 0.68 0.00 1.20 0.00 0.00 173.24 174.65 1g91 n ALA 9 N 6.20 -1.65 0.04 5.45 0.00 -1.26 -4.96 120.51 124.34 1g91 n ALA 9 Ca 0.04 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.01 1g91 n ALA 9 Cb 0.48 -1.95 0.00 0.00 0.00 0.00 0.00 19.45 17.98 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 -1.86 -0.00 -3.26 0.00 -0.08 -1.26 -5.12 116.55 104.97 1g91 n ASP 10 Ca 0.09 0.14 -0.18 0.00 -1.51 0.00 0.00 54.79 53.34 1g91 n ASP 10 Cb 0.52 0.10 0.12 0.00 2.34 0.00 0.00 41.12 44.20 1g91 n ASP 10 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1g91 n ILE 13 N 3.65 0.50 -3.77 0.00 3.06 -1.26 -4.95 119.36 116.60 1g91 n ILE 13 Ca -0.15 -0.34 -0.13 0.00 -2.50 0.00 0.00 62.75 59.63 1g91 n ILE 13 Cb 0.52 -0.66 -0.13 0.00 0.54 0.00 0.00 39.64 39.91 1g91 n ILE 13 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 1g91 s SER 14 N -3.91 -0.19 0.15 9.51 0.15 -1.26 -5.15 113.70 113.00 1g91 s SER 14 Ca -0.04 0.39 -0.02 0.00 0.70 0.00 0.00 55.95 56.98 1g91 s SER 14 Cb 0.03 0.33 -0.05 0.00 -1.71 0.00 0.00 66.02 64.62 1g91 s SER 14 CO 0.34 -0.12 0.35 -0.31 1.20 0.00 0.00 173.24 174.71 1g91 s TYR 15 N 0.76 3.48 -0.23 3.44 1.51 -1.26 -4.16 117.35 120.90 1g91 s TYR 15 Ca -0.05 0.43 -0.29 0.00 -1.01 0.00 0.00 57.07 56.14 1g91 s TYR 15 Cb -0.07 -1.91 -0.00 0.00 -0.11 0.00 0.00 41.96 39.87 1g91 s TYR 15 CO -0.04 0.44 1.23 -0.08 -1.11 0.00 0.00 175.55 175.99 1g91 s THR 16 N -1.71 4.31 -1.02 -0.71 -1.32 -0.55 -4.90 115.64 109.74 1g91 s THR 16 Ca 0.39 1.55 -0.08 0.00 -1.21 0.00 0.00 61.69 62.34 1g91 s THR 16 Cb -0.12 -4.13 -0.13 0.00 -1.51 0.00 0.00 72.50 66.62 1g91 s THR 16 CO 0.27 -0.28 2.90 -0.81 -2.21 0.00 0.00 174.62 174.48 1g91 n PRO 17 N 6.82 2.84 -3.63 7.08 -0.04 -1.26 -4.79 135.00 142.02 1g91 n PRO 17 Ca 0.14 -1.68 -0.15 0.00 -0.04 0.00 0.00 63.50 61.77 1g91 n PRO 17 Cb 0.46 -2.49 -0.08 0.00 -0.04 0.00 0.00 33.50 31.36 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 2.13 0.81 -0.52 0.54 0.52 -1.26 -5.12 118.95 116.05 1g91 s ARG 18 Ca 0.61 0.57 -0.20 0.00 -0.52 0.00 0.00 55.73 56.20 1g91 s ARG 18 Cb 0.20 0.39 0.06 0.00 0.52 0.00 0.00 34.95 36.11 1g91 s ARG 18 CO -0.04 -0.16 0.67 0.45 0.02 0.00 0.00 175.30 176.24 1g91 s SER 19 N -0.28 6.23 -0.08 0.23 0.15 -1.26 -5.04 113.70 113.65 1g91 s SER 19 Ca -0.05 -0.90 -0.05 0.00 0.70 0.00 0.00 55.95 55.66 1g91 s SER 19 Cb -0.03 -2.31 -0.04 0.00 -1.71 0.00 0.00 66.02 61.93 1g91 s SER 19 CO 0.04 -0.96 0.13 -0.63 1.20 0.00 0.00 173.24 173.02 1g91 s ILE 20 N 2.80 5.27 0.60 6.45 1.01 -1.26 -5.09 121.20 130.98 1g91 s ILE 20 Ca 0.16 0.00 -0.13 0.00 0.00 0.00 0.00 60.65 60.69 1g91 s ILE 20 Cb -0.19 -3.34 -0.04 0.00 0.01 0.00 0.00 42.46 38.90 1g91 s ILE 20 CO 0.12 0.52 1.03 -2.16 0.00 0.00 0.00 174.94 174.45 1g91 s PRO 21 N -1.30 3.53 0.48 2.79 0.04 -1.26 -4.95 135.00 134.32 1g91 s PRO 21 Ca 0.19 0.92 0.24 0.00 0.04 0.00 0.00 61.00 62.38 1g91 s PRO 21 Cb -0.12 -2.07 1.22 0.00 0.04 0.00 0.00 34.50 33.57 1g91 s PRO 21 CO 0.08 -0.62 1.99 0.00 0.04 0.00 0.00 177.00 178.49 1g91 h SER 23 N 0.00 0.00 -0.48 0.00 4.64 -2.04 0.66 113.55 116.33 1g91 h SER 23 Ca -0.00 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.08 1g91 h SER 23 Cb 0.46 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.41 1g91 h SER 23 CO 0.02 0.00 0.07 -0.11 -0.87 0.00 0.00 176.83 175.94 1g91 n LEU 24 N -3.41 4.66 -3.99 5.97 0.00 -0.92 -4.95 117.00 114.36 1g91 n LEU 24 Ca 0.06 -3.69 -0.23 0.00 0.00 0.00 0.00 56.01 52.15 1g91 n LEU 24 Cb 0.68 -0.67 -0.16 0.00 0.00 0.00 0.00 43.42 43.26 1g91 n LEU 24 CO 0.22 1.18 -0.45 -0.76 0.00 0.00 0.00 177.39 177.58 1g91 s LEU 25 N -3.23 1.57 -0.03 -1.96 1.43 0.23 -4.28 118.68 112.41 1g91 s LEU 25 Ca 0.47 -0.25 0.15 0.00 -1.03 0.00 0.00 54.13 53.47 1g91 s LEU 25 Cb 0.42 -0.71 -0.20 0.00 0.03 0.00 0.00 46.19 45.72 1g91 s LEU 25 CO 0.03 0.01 0.63 -0.62 0.23 0.00 0.00 176.35 176.63 1g91 n GLU 26 N 3.86 0.64 -3.28 1.70 1.02 0.96 -4.91 120.64 120.62 1g91 n GLU 26 Ca -0.24 0.22 0.02 0.00 -0.02 0.00 0.00 57.16 57.14 1g91 n GLU 26 Cb 0.51 -1.76 0.01 0.00 -0.02 0.00 0.00 31.44 30.19 1g91 n GLU 26 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1g91 n SER 27 N -2.94 -0.82 -3.62 1.62 3.41 -1.21 -5.01 113.62 105.05 1g91 n SER 27 Ca -0.16 -1.19 -0.06 0.00 -0.26 0.00 0.00 58.87 57.20 1g91 n SER 27 Cb 0.98 1.27 -0.01 0.00 -0.26 0.00 0.00 64.21 66.20 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 -2.42 -0.09 0.09 7.33 1.13 -1.26 -0.91 117.35 121.22 1g91 s TYR 28 Ca 0.20 -0.35 -0.27 0.00 -1.41 0.00 0.00 57.07 55.24 1g91 s TYR 28 Cb -0.01 0.71 0.08 0.00 -1.10 0.00 0.00 41.96 41.64 1g91 s TYR 28 CO -0.00 -1.12 1.06 -0.59 -2.51 0.00 0.00 175.55 172.38 1g91 s PHE 29 N -3.26 -0.12 0.01 -3.49 -0.71 -0.86 -4.83 117.98 104.72 1g91 s PHE 29 Ca 0.13 -0.12 -0.06 0.00 -1.04 0.00 0.00 56.93 55.84 1g91 s PHE 29 Cb -0.04 0.60 -0.05 0.00 -1.21 0.00 0.00 43.02 42.33 1g91 s PHE 29 CO 0.06 -0.64 0.27 -1.21 -1.34 0.00 0.00 175.22 172.36 1g91 s GLU 30 N -3.01 3.58 1.11 1.99 2.02 -1.26 -1.09 118.70 122.04 1g91 s GLU 30 Ca 0.12 -0.08 -0.18 0.00 0.02 0.00 0.00 54.97 54.85 1g91 s GLU 30 Cb 0.00 -3.08 0.25 0.00 0.10 0.00 0.00 34.13 31.41 1g91 s GLU 30 CO -0.00 0.65 1.19 0.95 0.02 0.00 0.00 175.26 178.06 1g91 s THR 31 N -1.30 1.75 -0.38 3.63 -4.23 -1.02 -4.81 115.64 109.28 1g91 s THR 31 Ca 0.28 0.00 -0.36 0.00 -1.18 0.00 0.00 61.69 60.42 1g91 s THR 31 Cb -0.13 -2.68 -0.13 0.00 1.34 0.00 0.00 72.50 70.90 1g91 s THR 31 CO 0.16 0.00 2.19 0.59 -0.54 0.00 0.00 174.62 177.03 1g91 n ASN 32 N -4.38 1.90 0.25 3.99 5.03 -1.26 -4.72 115.26 116.07 1g91 n ASN 32 Ca 0.14 0.43 0.14 0.00 0.87 0.00 0.00 54.58 56.16 1g91 n ASN 32 Cb 0.59 -1.21 0.74 0.00 -1.02 0.00 0.00 39.78 38.89 1g91 n ASN 32 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.26 175.71 1g91 h SER 33 N 12.00 0.00 -0.99 6.41 0.02 -1.98 -1.12 113.55 127.88 1g91 h SER 33 Ca -0.24 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 60.75 1g91 h SER 33 Cb 1.33 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.82 1g91 h SER 33 CO 1.04 0.00 0.64 -0.33 -1.14 0.00 0.00 176.83 177.04 1g91 h GLU 34 N 0.00 1.20 -6.42 3.45 5.08 -2.02 -3.41 114.58 112.46 1g91 h GLU 34 Ca 0.00 -0.07 -0.59 0.00 -1.00 0.00 0.00 59.36 57.69 1g91 h GLU 34 Cb 0.32 -0.27 0.04 0.00 0.50 0.00 0.00 28.75 29.35 1g91 h GLU 34 CO 0.00 0.80 0.91 0.00 -1.00 0.00 0.00 179.01 179.71 1g91 h SER 36 N 7.15 0.76 -3.32 0.00 0.87 -1.89 -3.14 113.55 113.98 1g91 h SER 36 Ca -0.46 0.05 -0.66 0.00 -1.23 0.00 0.00 61.79 59.49 1g91 h SER 36 Cb 1.26 -0.10 -0.39 0.00 -0.44 0.00 0.00 62.40 62.74 1g91 h SER 36 CO 0.91 0.37 -0.35 -0.54 -0.53 0.00 0.00 176.83 176.69 1g91 s LYS 37 N -5.80 2.81 0.00 2.24 -0.14 -1.26 -5.07 119.74 112.53 1g91 s LYS 37 Ca -0.11 -3.25 0.00 0.00 -1.36 0.00 0.00 55.97 51.25 1g91 s LYS 37 Cb 0.23 -3.67 0.00 0.00 -1.68 0.00 0.00 37.83 32.70 1g91 s LYS 37 CO 0.80 -1.26 0.00 -0.35 -0.76 0.00 0.00 175.35 173.77 1g91 n PRO 38 N 2.25 -0.13 -3.91 -1.68 -0.04 -1.19 -4.65 135.00 125.66 1g91 n PRO 38 Ca 0.19 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.66 1g91 n PRO 38 Cb 0.36 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.83 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 -2.82 -0.09 -0.17 0.55 0.00 -1.26 -4.91 107.32 98.62 1g91 s GLY 39 Ca 0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 44.72 44.67 1g91 s GLY 39 CO 0.00 3.83 -0.02 0.14 0.00 0.00 0.00 173.10 177.05 1g91 s VAL 40 N -2.15 4.01 -0.04 1.40 1.01 -0.92 -2.43 120.40 121.28 1g91 s VAL 40 Ca 0.25 -0.31 -0.04 0.00 0.00 0.00 0.00 61.98 61.88 1g91 s VAL 40 Cb -0.01 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 1g91 s VAL 40 CO 0.01 0.48 0.16 -0.63 0.00 0.00 0.00 175.10 175.12 1g91 s ILE 41 N 0.49 5.39 -0.07 2.22 1.01 -0.25 0.18 121.20 130.17 1g91 s ILE 41 Ca -0.02 -0.07 0.05 0.00 0.00 0.00 0.00 60.65 60.61 1g91 s ILE 41 Cb -0.14 -3.46 -0.01 0.00 0.01 0.00 0.00 42.46 38.86 1g91 s ILE 41 CO 0.02 0.42 -0.24 -0.36 0.00 0.00 0.00 174.94 174.79 1g91 s PHE 42 N -1.22 2.39 -0.17 3.97 0.08 -0.19 -2.03 117.98 120.81 1g91 s PHE 42 Ca 0.23 -0.82 -0.09 0.00 0.12 0.00 0.00 56.93 56.37 1g91 s PHE 42 Cb -0.12 -1.59 -0.05 0.00 -0.57 0.00 0.00 43.02 40.69 1g91 s PHE 42 CO 0.14 -0.29 0.13 -1.17 -0.10 0.00 0.00 175.22 173.92 1g91 s LEU 43 N 0.07 4.24 0.45 -0.37 0.20 -0.08 -2.22 118.68 120.98 1g91 s LEU 43 Ca -0.10 0.30 0.08 0.00 0.69 0.00 0.00 54.13 55.11 1g91 s LEU 43 Cb -0.15 -2.07 0.02 0.00 -0.43 0.00 0.00 46.19 43.56 1g91 s LEU 43 CO 0.06 0.26 0.62 0.42 -0.29 0.00 0.00 176.35 177.42 1g91 s THR 44 N -0.14 2.83 -1.85 3.68 -4.23 0.12 -0.03 115.64 116.03 1g91 s THR 44 Ca 0.10 -0.98 0.26 0.00 -1.18 0.00 0.00 61.69 59.88 1g91 s THR 44 Cb -0.11 -2.85 0.66 0.00 1.34 0.00 0.00 72.50 71.53 1g91 s THR 44 CO 0.00 0.00 1.88 1.17 -0.54 0.00 0.00 174.62 177.13 1g91 n LYS 45 N -1.94 0.69 -1.03 3.99 4.81 -1.26 -2.92 118.16 120.49 1g91 n LYS 45 Ca 0.09 0.01 -0.14 0.00 -0.87 0.00 0.00 58.31 57.41 1g91 n LYS 45 Cb 0.59 -1.50 0.19 0.00 0.02 0.00 0.00 35.03 34.33 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 -1.07 2.06 -2.41 1.64 4.81 -1.26 -4.89 118.16 117.03 1g91 n LYS 46 Ca 0.17 -3.13 -0.18 0.00 -0.87 0.00 0.00 58.31 54.30 1g91 n LYS 46 Cb 0.12 -2.00 -0.01 0.00 0.02 0.00 0.00 35.03 33.16 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 -1.13 -0.50 3.36 3.14 0.00 -1.15 -4.95 105.19 103.97 1g91 n GLY 47 Ca 0.46 0.00 -0.34 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 -5.04 3.42 -0.03 1.61 3.00 -1.26 -4.93 118.95 115.73 1g91 s ARG 48 Ca 0.00 -0.64 0.05 0.00 -1.00 0.00 0.00 55.73 54.15 1g91 s ARG 48 Cb 0.00 -2.83 -0.01 0.00 0.00 0.00 0.00 34.95 32.11 1g91 s ARG 48 CO 0.00 0.04 -0.18 -0.98 0.00 0.00 0.00 175.30 174.18 1g91 s ARG 49 N 0.84 1.65 0.07 5.12 1.70 -1.26 0.16 118.95 127.23 1g91 s ARG 49 Ca -0.02 -0.65 -0.01 0.00 -0.47 0.00 0.00 55.73 54.58 1g91 s ARG 49 Cb -0.15 -1.52 -0.04 0.00 -0.57 0.00 0.00 34.95 32.68 1g91 s ARG 49 CO 0.01 0.33 -0.02 -0.59 -1.08 0.00 0.00 175.30 173.95 1g91 s PHE 50 N -0.23 0.60 0.48 5.89 -0.12 -0.94 -4.93 117.98 118.73 1g91 s PHE 50 Ca 0.02 -1.08 -0.16 0.00 -0.05 0.00 0.00 56.93 55.67 1g91 s PHE 50 Cb -0.09 -0.42 -0.08 0.00 -0.63 0.00 0.00 43.02 41.80 1g91 s PHE 50 CO 0.01 -0.38 0.93 0.00 -0.05 0.00 0.00 175.22 175.73 1g91 s ALA 52 N -2.51 0.49 -0.01 0.00 0.00 0.48 -1.49 121.76 118.72 1g91 s ALA 52 Ca 0.57 -1.19 -0.22 0.00 0.00 0.00 0.00 51.96 51.12 1g91 s ALA 52 Cb -0.10 0.30 -0.05 0.00 0.00 0.00 0.00 23.12 23.27 1g91 s ALA 52 CO 0.29 -0.38 0.66 1.21 0.00 0.00 0.00 175.76 177.54 1g91 s ASN 53 N -2.92 7.03 0.00 0.00 3.84 -1.26 -2.16 114.94 119.47 1g91 s ASN 53 Ca 0.07 1.23 0.23 0.00 0.21 0.00 0.00 52.86 54.61 1g91 s ASN 53 Cb 0.08 -2.40 1.39 0.00 -0.55 0.00 0.00 41.25 39.77 1g91 s ASN 53 CO -0.10 0.03 1.79 -0.81 -2.79 0.00 0.00 177.10 175.22 1g91 n PRO 54 N 3.02 0.82 0.00 0.43 -0.04 -1.26 -2.59 135.00 135.38 1g91 n PRO 54 Ca -0.04 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.52 1g91 n PRO 54 Cb 0.51 -1.44 -0.03 0.00 -0.04 0.00 0.00 33.50 32.49 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 -0.94 1.75 -4.73 3.54 7.64 -1.26 -4.77 113.62 114.85 1g91 n SER 55 Ca 0.17 -1.38 -0.41 0.00 1.01 0.00 0.00 58.87 58.27 1g91 n SER 55 Cb 0.08 0.61 -0.04 0.00 -1.01 0.00 0.00 64.21 63.85 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 -2.59 7.37 0.29 6.43 -1.08 -1.07 -4.93 116.67 121.09 1g91 s ASP 56 Ca 0.16 1.93 -0.02 0.00 -0.52 0.00 0.00 52.55 54.09 1g91 s ASP 56 Cb 0.17 -2.59 0.41 0.00 -1.46 0.00 0.00 42.92 39.45 1g91 s ASP 56 CO 0.64 -0.16 1.92 0.11 0.52 0.00 0.00 175.17 178.20 1g91 h LYS 57 N 5.49 1.05 -0.10 4.34 1.57 -1.91 -1.11 116.57 125.88 1g91 h LYS 57 Ca -0.43 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.25 1g91 h LYS 57 Cb 1.21 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 33.30 1g91 h LYS 57 CO 0.73 0.75 0.07 1.96 -0.57 0.00 0.00 179.45 182.39 1g91 h GLN 58 N 1.06 0.12 0.13 3.15 4.20 -1.95 0.11 115.11 121.93 1g91 h GLN 58 Ca 0.27 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.97 1g91 h GLN 58 Cb -0.01 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.75 1g91 h GLN 58 CO -0.05 0.08 -0.06 0.28 -0.67 0.00 0.00 178.83 178.41 1g91 h VAL 59 N 0.13 1.01 -0.04 -0.54 2.07 -1.50 -1.72 116.25 115.66 1g91 h VAL 59 Ca 0.04 -1.10 -0.02 0.00 0.82 0.00 0.00 66.70 66.44 1g91 h VAL 59 Cb 0.01 1.64 -0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1g91 h VAL 59 CO -0.01 0.24 -0.08 1.56 0.02 0.00 0.00 177.57 179.31 1g91 h GLN 60 N -0.75 0.05 -0.00 1.57 4.20 -1.15 -0.98 115.11 118.05 1g91 h GLN 60 Ca -0.02 -0.01 -0.13 0.00 0.06 0.00 0.00 58.65 58.55 1g91 h GLN 60 Cb 0.53 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.29 1g91 h GLN 60 CO 0.03 0.13 -0.63 0.28 -0.67 0.00 0.00 178.83 177.98 1g91 h VAL 61 N 0.05 1.45 0.00 -0.54 2.07 -0.73 -2.92 116.25 115.64 1g91 h VAL 61 Ca 0.01 -2.14 -0.12 0.00 0.82 0.00 0.00 66.70 65.27 1g91 h VAL 61 Cb 0.17 2.15 -0.02 0.00 -1.52 0.00 0.00 31.29 32.08 1g91 h VAL 61 CO 0.01 0.61 -0.56 0.00 0.02 0.00 0.00 177.57 177.66 1g91 h MET 63 N 0.00 0.00 0.05 0.00 2.07 -1.12 -0.86 114.93 115.07 1g91 h MET 63 Ca -0.01 0.00 -0.00 0.00 -2.07 0.00 0.00 59.70 57.62 1g91 h MET 63 Cb 1.36 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 31.09 1g91 h MET 63 CO 0.07 0.34 -0.03 -0.09 1.07 0.00 0.00 176.91 178.28 1g91 h ARG 64 N 0.00 -0.07 -0.15 1.72 2.43 -1.50 -3.35 114.38 113.46 1g91 h ARG 64 Ca -0.00 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.19 1g91 h ARG 64 Cb 0.69 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.23 1g91 h ARG 64 CO 0.04 0.43 0.02 1.98 -1.51 0.00 0.00 179.97 180.92 1g91 h MET 65 N -0.96 0.07 -4.11 0.20 4.05 -1.55 -3.15 114.93 109.48 1g91 h MET 65 Ca -0.01 -0.00 -0.59 0.00 -0.28 0.00 0.00 59.70 58.82 1g91 h MET 65 Cb 0.52 -0.02 0.03 0.00 -0.80 0.00 0.00 31.60 31.34 1g91 h MET 65 CO 0.01 0.05 2.52 1.28 0.23 0.00 0.00 176.91 181.00 1g91 n LEU 66 N -5.10 4.77 -0.34 3.39 4.77 -0.33 -4.63 117.00 119.52 1g91 n LEU 66 Ca -0.04 -3.08 0.05 0.00 -0.03 0.00 0.00 56.01 52.91 1g91 n LEU 66 Cb 0.08 -1.18 0.23 0.00 -2.33 0.00 0.00 43.42 40.21 1g91 n LEU 66 CO 0.29 0.13 1.25 0.07 -1.33 0.00 0.00 177.39 177.80 1g91 h LYS 67 N 7.19 1.02 -6.25 3.23 2.10 -1.74 -3.39 116.57 118.73 1g91 h LYS 67 Ca 0.47 -0.06 -0.56 0.00 -2.00 0.00 0.00 60.65 58.50 1g91 h LYS 67 Cb 0.53 -0.23 -0.01 0.00 -0.90 0.00 0.00 32.23 31.61 1g91 h LYS 67 CO 1.82 0.68 1.12 -0.48 -2.00 0.00 0.00 179.45 180.58 1g91 s LEU 68 N -10.10 4.13 -0.23 7.07 0.05 -1.26 -4.85 118.68 113.48 1g91 s LEU 68 Ca -0.12 1.99 0.07 0.00 0.05 0.00 0.00 54.13 56.11 1g91 s LEU 68 Cb 0.21 -3.53 0.53 0.00 -2.05 0.00 0.00 46.19 41.34 1g91 s LEU 68 CO 0.81 -1.09 1.50 -0.67 -0.55 0.00 0.00 176.35 176.35 1g91 n ASP 69 N 7.79 3.96 -3.21 1.48 2.03 -1.26 -4.87 116.55 122.47 1g91 n ASP 69 Ca 0.18 -2.87 -0.07 0.00 0.52 0.00 0.00 54.79 52.55 1g91 n ASP 69 Cb 0.44 -0.68 0.01 0.00 -0.72 0.00 0.00 41.12 40.17 1g91 n ASP 69 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1g91 n THR 70 N -0.06 -9.02 -3.15 5.18 -1.04 -1.26 -4.99 114.28 99.94 1g91 n THR 70 Ca 0.30 -0.43 0.05 0.00 -2.04 0.00 0.00 64.05 61.93 1g91 n THR 70 Cb 1.10 -6.28 -0.00 0.00 -1.82 0.00 0.00 70.33 63.34 1g91 n THR 70 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1g91 s ARG 71 N -3.61 0.33 -0.42 -2.82 1.81 -1.26 -5.09 118.95 107.89 1g91 s ARG 71 Ca 0.10 0.35 0.04 0.00 -1.72 0.00 0.00 55.73 54.50 1g91 s ARG 71 Cb -0.02 0.16 0.17 0.00 -0.45 0.00 0.00 34.95 34.82 1g91 s ARG 71 CO 0.77 -0.60 0.38 0.96 -0.68 0.00 0.00 175.30 176.13 1g91 s ILE 72 N 2.90 0.18 0.00 1.52 -4.36 -1.26 -5.05 121.20 115.13 1g91 s ILE 72 Ca 0.19 -2.46 0.00 0.00 -0.26 0.00 0.00 60.65 58.12 1g91 s ILE 72 Cb -0.06 -1.11 0.00 0.00 1.25 0.00 0.00 42.46 42.54 1g91 s ILE 72 CO -0.24 -1.10 0.04 0.29 0.24 0.00 0.00 174.94 174.17 1g91 n LYS 73 N 2.86 0.00 -3.01 0.37 5.02 -1.26 -4.82 118.16 117.33 1g91 n LYS 73 Ca 0.29 0.01 -0.11 0.00 -2.02 0.00 0.00 58.31 56.47 1g91 n LYS 73 Cb 0.49 -0.54 -0.03 0.00 -0.02 0.00 0.00 35.03 34.93 1g91 n LYS 73 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1g91 s THR 74 N -0.07 -0.58 0.00 -0.18 -4.23 -1.26 -5.05 115.64 104.27 1g91 s THR 74 Ca 0.00 -1.41 0.00 0.00 -1.18 0.00 0.00 61.69 59.10 1g91 s THR 74 Cb 0.00 -0.40 0.00 0.00 1.34 0.00 0.00 72.50 73.44 1g91 s THR 74 CO 0.00 -0.39 0.00 0.54 -0.54 0.00 0.00 174.62 174.23 1g91 n ARG 75 N 3.09 0.00 -0.79 3.99 5.12 -1.26 -5.02 116.66 121.79 1g91 n ARG 75 Ca 0.21 0.00 -0.00 0.00 -1.93 0.00 0.00 57.85 56.12 1g91 n ARG 75 Cb 0.53 0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 31.82 1g91 n ARG 75 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 1g91 n LYS 76 N -0.44 0.00 0.00 5.56 2.85 -1.26 -5.28 118.16 119.59 1g91 n LYS 76 Ca 0.00 -0.91 0.11 0.00 -1.05 0.00 0.00 58.31 56.46 1g91 n LYS 76 Cb 0.00 -0.07 0.65 0.00 -0.65 0.00 0.00 35.03 34.96 1g91 n LYS 76 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64