#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 2.91 -4.58 6.12 9.92 -1.26 -4.78 116.55 124.88 1g91 n ASP 2 Ca 0.00 -1.92 -0.27 0.00 -0.53 0.00 0.00 54.79 52.07 1g91 n ASP 2 Cb 0.00 -0.13 -0.06 0.00 -0.64 0.00 0.00 41.12 40.28 1g91 n ASP 2 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1g91 s ARG 3 N -1.73 2.40 -0.15 -1.24 3.52 -1.26 -4.91 118.95 115.58 1g91 s ARG 3 Ca 0.35 -1.06 -0.22 0.00 -0.13 0.00 0.00 55.73 54.67 1g91 s ARG 3 Cb 0.21 -5.21 -0.03 0.00 -1.56 0.00 0.00 34.95 28.36 1g91 s ARG 3 CO 0.31 -4.06 0.69 0.12 -0.81 0.00 0.00 175.30 171.54 1g91 s PHE 4 N 11.41 3.45 0.43 5.12 5.36 -1.26 -4.78 117.98 137.71 1g91 s PHE 4 Ca 0.69 1.09 0.00 0.00 -0.96 0.00 0.00 56.93 57.75 1g91 s PHE 4 Cb -0.01 -2.84 0.00 0.00 -0.34 0.00 0.00 43.02 39.83 1g91 s PHE 4 CO 0.13 -0.10 0.00 0.72 -1.46 0.00 0.00 175.22 174.50 1g91 n HIS 5 N 4.69 -4.44 0.00 10.12 8.25 -1.26 -5.09 115.22 127.49 1g91 n HIS 5 Ca -0.00 1.45 0.00 0.00 -0.26 0.00 0.00 57.72 58.90 1g91 n HIS 5 Cb 0.50 3.58 0.00 0.00 1.12 0.00 0.00 29.99 35.19 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 -3.40 2.51 -3.66 -1.41 0.00 -1.26 -5.12 120.51 108.17 1g91 n ALA 6 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1g91 n ALA 6 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 1g91 n ALA 6 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1g91 s THR 7 N -0.71 -0.57 0.58 0.00 -4.23 -1.26 -5.16 115.64 104.29 1g91 s THR 7 Ca 0.00 0.13 -0.07 0.00 -1.18 0.00 0.00 61.69 60.57 1g91 s THR 7 Cb 0.00 -0.71 -0.01 0.00 1.34 0.00 0.00 72.50 73.12 1g91 s THR 7 CO 0.00 0.06 0.91 -0.44 -0.54 0.00 0.00 174.62 174.61 1g91 s SER 8 N 2.43 5.82 0.78 3.99 0.01 -1.26 -5.02 113.70 120.45 1g91 s SER 8 Ca -0.04 0.91 -0.15 0.00 1.31 0.00 0.00 55.95 57.98 1g91 s SER 8 Cb -0.11 -1.96 0.01 0.00 0.21 0.00 0.00 66.02 64.17 1g91 s SER 8 CO -0.14 -0.96 0.75 0.00 0.41 0.00 0.00 173.24 173.31 1g91 n ALA 9 N -2.58 -1.11 -2.93 1.44 0.00 -1.26 -4.94 120.51 109.13 1g91 n ALA 9 Ca 0.04 -0.32 -0.23 0.00 0.00 0.00 0.00 53.44 52.93 1g91 n ALA 9 Cb 0.56 -1.99 -0.03 0.00 0.00 0.00 0.00 19.45 18.00 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 -1.43 3.37 -4.88 0.00 -0.08 -1.26 -5.08 116.55 107.19 1g91 n ASP 10 Ca 0.11 -3.45 -0.30 0.00 -1.51 0.00 0.00 54.79 49.64 1g91 n ASP 10 Cb 0.51 -0.56 -0.04 0.00 2.34 0.00 0.00 41.12 43.37 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 5.04 0.00 -3.73 0.00 2.08 -1.26 -4.85 119.36 116.65 1g91 n ILE 13 Ca -0.11 -0.16 -0.14 0.00 0.56 0.00 0.00 62.75 62.90 1g91 n ILE 13 Cb 0.43 0.95 -0.14 0.00 -0.75 0.00 0.00 39.64 40.13 1g91 n ILE 13 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 1g91 s SER 14 N -2.48 0.04 -0.11 4.38 1.04 -1.26 -5.14 113.70 110.16 1g91 s SER 14 Ca 0.05 0.35 -0.03 0.00 0.48 0.00 0.00 55.95 56.80 1g91 s SER 14 Cb 0.11 0.25 -0.03 0.00 0.10 0.00 0.00 66.02 66.45 1g91 s SER 14 CO 0.61 -0.17 -0.01 -0.31 0.98 0.00 0.00 173.24 174.34 1g91 s TYR 15 N 1.43 3.12 -0.27 5.02 2.02 -1.26 -4.23 117.35 123.18 1g91 s TYR 15 Ca -0.07 0.05 -0.34 0.00 -0.37 0.00 0.00 57.07 56.35 1g91 s TYR 15 Cb -0.12 -1.85 -0.10 0.00 -0.40 0.00 0.00 41.96 39.49 1g91 s TYR 15 CO -0.06 0.31 2.12 -2.37 -1.57 0.00 0.00 175.55 173.97 1g91 n THR 16 N 2.63 0.30 -1.77 -0.71 5.66 -0.93 -4.81 114.28 114.65 1g91 n THR 16 Ca -0.18 -0.26 -0.42 0.00 -3.05 0.00 0.00 64.05 60.14 1g91 n THR 16 Cb 0.53 -1.85 -0.02 0.00 -1.55 0.00 0.00 70.33 67.44 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 7.89 2.56 -3.59 1.09 -0.04 -1.26 -4.83 135.00 136.82 1g91 n PRO 17 Ca 0.35 -2.55 -0.05 0.00 -0.04 0.00 0.00 63.50 61.20 1g91 n PRO 17 Cb 0.28 -3.27 -0.02 0.00 -0.04 0.00 0.00 33.50 30.45 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 3.92 0.71 -0.39 0.54 0.52 -1.26 -5.12 118.95 117.87 1g91 s ARG 18 Ca 0.51 -0.31 -0.19 0.00 -0.52 0.00 0.00 55.73 55.22 1g91 s ARG 18 Cb 0.12 0.30 0.01 0.00 0.52 0.00 0.00 34.95 35.89 1g91 s ARG 18 CO -0.01 -0.32 0.56 -1.12 0.02 0.00 0.00 175.30 174.44 1g91 s SER 19 N -2.55 6.31 -0.14 0.23 0.01 -1.26 -5.04 113.70 111.25 1g91 s SER 19 Ca 0.08 -0.22 -0.10 0.00 1.31 0.00 0.00 55.95 57.02 1g91 s SER 19 Cb -0.00 -2.29 -0.05 0.00 0.21 0.00 0.00 66.02 63.89 1g91 s SER 19 CO -0.05 -0.62 0.18 -0.63 0.41 0.00 0.00 173.24 172.53 1g91 s ILE 20 N 2.55 5.40 0.37 1.44 1.01 -1.26 -5.08 121.20 125.64 1g91 s ILE 20 Ca 0.20 0.31 -0.24 0.00 0.00 0.00 0.00 60.65 60.92 1g91 s ILE 20 Cb -0.15 -3.49 -0.10 0.00 0.01 0.00 0.00 42.46 38.73 1g91 s ILE 20 CO 0.16 0.51 0.97 -2.16 0.00 0.00 0.00 174.94 174.42 1g91 s PRO 21 N -0.30 4.38 0.57 2.79 0.04 -1.26 -4.91 135.00 136.30 1g91 s PRO 21 Ca 0.13 1.31 0.30 0.00 0.04 0.00 0.00 61.00 62.79 1g91 s PRO 21 Cb -0.12 -2.55 1.65 0.00 0.04 0.00 0.00 34.50 33.52 1g91 s PRO 21 CO 0.03 0.08 1.92 0.00 0.04 0.00 0.00 177.00 179.07 1g91 h SER 23 N 0.00 0.00 -0.55 0.00 0.87 -2.03 -1.67 113.55 110.17 1g91 h SER 23 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1g91 h SER 23 Cb 0.37 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 1g91 h SER 23 CO 0.00 0.27 0.00 0.18 -0.53 0.00 0.00 176.83 176.75 1g91 n LEU 24 N -3.98 3.85 -3.94 2.23 4.77 0.59 -4.77 117.00 115.75 1g91 n LEU 24 Ca -0.02 -1.94 -0.31 0.00 -0.03 0.00 0.00 56.01 53.72 1g91 n LEU 24 Cb 0.34 -0.50 -0.15 0.00 -2.33 0.00 0.00 43.42 40.78 1g91 n LEU 24 CO 0.36 0.71 -0.41 -0.76 -1.33 0.00 0.00 177.39 175.97 1g91 s LEU 25 N -1.47 2.93 0.04 2.23 1.43 -0.63 -4.18 118.68 119.03 1g91 s LEU 25 Ca 0.42 -1.38 0.22 0.00 -1.03 0.00 0.00 54.13 52.37 1g91 s LEU 25 Cb 0.26 -1.25 -0.07 0.00 0.03 0.00 0.00 46.19 45.16 1g91 s LEU 25 CO 0.22 -0.27 0.89 -0.62 0.23 0.00 0.00 176.35 176.81 1g91 n GLU 26 N 4.61 0.37 -3.85 1.70 -0.58 -0.16 -4.93 120.64 117.80 1g91 n GLU 26 Ca -0.09 -0.03 -0.04 0.00 -0.42 0.00 0.00 57.16 56.57 1g91 n GLU 26 Cb 0.43 -1.59 0.01 0.00 -0.57 0.00 0.00 31.44 29.73 1g91 n GLU 26 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1g91 s SER 27 N -4.09 -0.03 -0.08 1.62 0.15 -1.18 -5.00 113.70 105.09 1g91 s SER 27 Ca 0.01 -0.74 -0.31 0.00 0.70 0.00 0.00 55.95 55.62 1g91 s SER 27 Cb 0.14 0.58 0.12 0.00 -1.71 0.00 0.00 66.02 65.15 1g91 s SER 27 CO 0.83 -1.14 1.00 -0.72 1.20 0.00 0.00 173.24 174.41 1g91 s TYR 28 N -2.42 -0.28 0.31 3.44 1.13 -1.26 -0.37 117.35 117.90 1g91 s TYR 28 Ca 0.19 0.20 -0.20 0.00 -1.41 0.00 0.00 57.07 55.85 1g91 s TYR 28 Cb -0.03 0.52 0.03 0.00 -1.10 0.00 0.00 41.96 41.39 1g91 s TYR 28 CO 0.06 -0.42 0.75 -0.59 -2.51 0.00 0.00 175.55 172.85 1g91 s PHE 29 N -2.71 -0.09 0.08 -3.49 -0.71 0.02 -4.96 117.98 106.12 1g91 s PHE 29 Ca 0.06 -0.43 -0.03 0.00 -1.04 0.00 0.00 56.93 55.49 1g91 s PHE 29 Cb -0.01 0.75 -0.05 0.00 -1.21 0.00 0.00 43.02 42.50 1g91 s PHE 29 CO -0.07 -1.32 0.29 -1.21 -1.34 0.00 0.00 175.22 171.57 1g91 s GLU 30 N -3.40 3.54 0.87 1.99 2.02 -1.26 0.40 118.70 122.85 1g91 s GLU 30 Ca 0.12 -0.23 -0.15 0.00 0.02 0.00 0.00 54.97 54.74 1g91 s GLU 30 Cb -0.06 -2.97 0.22 0.00 0.10 0.00 0.00 34.13 31.43 1g91 s GLU 30 CO 0.08 0.56 0.65 0.25 0.02 0.00 0.00 175.26 176.82 1g91 n THR 31 N 0.36 0.00 -2.35 3.63 -2.24 -1.04 -4.87 114.28 107.77 1g91 n THR 31 Ca -0.05 -0.18 -0.37 0.00 -2.27 0.00 0.00 64.05 61.18 1g91 n THR 31 Cb 0.52 -0.93 -0.02 0.00 -2.10 0.00 0.00 70.33 67.79 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 -3.13 6.44 0.00 3.42 -0.87 -1.26 -4.89 114.94 114.66 1g91 s ASN 32 Ca 0.45 2.24 0.17 0.00 -1.57 0.00 0.00 52.86 54.15 1g91 s ASN 32 Cb -0.06 -2.60 0.78 0.00 -0.02 0.00 0.00 41.25 39.35 1g91 s ASN 32 CO 0.36 -0.72 1.52 -1.54 -2.57 0.00 0.00 177.10 174.15 1g91 n SER 33 N -0.20 0.00 0.15 -1.22 3.41 -1.26 -2.24 113.62 112.26 1g91 n SER 33 Ca 0.06 0.30 0.07 0.00 -0.26 0.00 0.00 58.87 59.03 1g91 n SER 33 Cb 0.48 -0.41 0.06 0.00 -0.26 0.00 0.00 64.21 64.08 1g91 n SER 33 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1g91 h GLU 34 N 0.00 0.00 -6.23 4.33 4.39 -1.98 -3.44 114.58 111.65 1g91 h GLU 34 Ca 0.00 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.13 1g91 h GLU 34 Cb 0.23 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 1g91 h GLU 34 CO 0.00 0.25 1.25 0.00 -1.16 0.00 0.00 179.01 179.34 1g91 h SER 36 N 12.04 0.29 -3.74 0.00 4.64 -1.89 -3.33 113.55 121.56 1g91 h SER 36 Ca -0.37 0.08 -0.65 0.00 -0.47 0.00 0.00 61.79 60.38 1g91 h SER 36 Cb 1.19 0.05 -0.20 0.00 -0.31 0.00 0.00 62.40 63.12 1g91 h SER 36 CO 0.99 -0.02 -0.57 -0.54 -0.87 0.00 0.00 176.83 175.82 1g91 s LYS 37 N -5.31 3.69 0.81 4.77 1.02 -1.26 -5.08 119.74 118.38 1g91 s LYS 37 Ca -0.08 -0.48 -0.12 0.00 0.02 0.00 0.00 55.97 55.32 1g91 s LYS 37 Cb 0.26 -3.51 0.08 0.00 -0.52 0.00 0.00 37.83 34.14 1g91 s LYS 37 CO 0.81 -0.24 1.14 -1.25 -0.92 0.00 0.00 175.35 174.89 1g91 s PRO 38 N 1.67 1.94 0.00 -1.68 0.04 -1.25 -4.12 135.00 131.60 1g91 s PRO 38 Ca 0.06 0.30 0.00 0.00 0.04 0.00 0.00 61.00 61.40 1g91 s PRO 38 Cb -0.16 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.45 1g91 s PRO 38 CO 0.07 -1.65 0.00 0.41 0.04 0.00 0.00 177.00 175.87 1g91 n GLY 39 N -2.81 0.45 3.48 0.56 0.00 -1.26 -4.75 105.19 100.87 1g91 n GLY 39 Ca 0.07 -0.94 -0.30 0.00 0.00 0.00 0.00 46.02 44.85 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 2.86 -0.23 1.61 1.01 -0.96 -2.50 120.40 120.20 1g91 s VAL 40 Ca 0.00 -1.36 -0.02 0.00 0.00 0.00 0.00 61.98 60.60 1g91 s VAL 40 Cb 0.00 -2.28 0.02 0.00 0.00 0.00 0.00 36.38 34.12 1g91 s VAL 40 CO 0.00 0.19 -0.08 -0.63 0.00 0.00 0.00 175.10 174.58 1g91 s ILE 41 N -1.07 2.87 -0.17 2.22 1.09 0.16 -0.43 121.20 125.88 1g91 s ILE 41 Ca 0.17 -0.88 -0.11 0.00 -1.10 0.00 0.00 60.65 58.73 1g91 s ILE 41 Cb -0.11 -2.38 -0.05 0.00 -1.06 0.00 0.00 42.46 38.86 1g91 s ILE 41 CO 0.08 0.31 0.20 -0.36 -0.10 0.00 0.00 174.94 175.08 1g91 s PHE 42 N 1.36 3.46 -0.12 3.97 0.40 -0.45 -0.80 117.98 125.79 1g91 s PHE 42 Ca 0.02 0.47 -0.09 0.00 -0.60 0.00 0.00 56.93 56.74 1g91 s PHE 42 Cb -0.15 -2.21 -0.04 0.00 0.51 0.00 0.00 43.02 41.12 1g91 s PHE 42 CO -0.06 0.32 0.18 -1.17 0.70 0.00 0.00 175.22 175.20 1g91 s LEU 43 N 0.23 4.36 0.41 -0.37 0.20 0.50 -2.19 118.68 121.82 1g91 s LEU 43 Ca 0.12 0.49 0.08 0.00 0.69 0.00 0.00 54.13 55.51 1g91 s LEU 43 Cb -0.12 -2.16 -0.01 0.00 -0.43 0.00 0.00 46.19 43.47 1g91 s LEU 43 CO 0.01 0.34 0.42 0.42 -0.29 0.00 0.00 176.35 177.25 1g91 s THR 44 N -0.70 2.81 -2.00 3.68 -4.23 0.12 -0.99 115.64 114.34 1g91 s THR 44 Ca 0.15 -1.26 0.22 0.00 -1.18 0.00 0.00 61.69 59.62 1g91 s THR 44 Cb -0.12 -3.02 0.62 0.00 1.34 0.00 0.00 72.50 71.31 1g91 s THR 44 CO 0.04 -0.01 1.78 1.17 -0.54 0.00 0.00 174.62 177.06 1g91 n LYS 45 N -1.61 0.92 -1.00 3.99 4.81 -1.26 -3.13 118.16 120.87 1g91 n LYS 45 Ca 0.04 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.35 1g91 n LYS 45 Cb 0.61 -1.37 0.20 0.00 0.02 0.00 0.00 35.03 34.49 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 -0.87 2.14 -2.58 1.64 3.00 -1.26 -4.89 118.16 115.34 1g91 n LYS 46 Ca 0.16 -3.10 -0.19 0.00 -0.00 0.00 0.00 58.31 55.18 1g91 n LYS 46 Cb 0.07 -2.00 -0.00 0.00 0.00 0.00 0.00 35.03 33.11 1g91 n LYS 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1g91 n GLY 47 N -1.07 -0.50 3.32 3.14 0.00 -1.18 -4.96 105.19 103.93 1g91 n GLY 47 Ca 0.45 0.03 -0.28 0.00 0.00 0.00 0.00 46.02 46.22 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 -5.22 1.56 0.01 1.61 6.06 -1.26 -4.97 118.95 116.75 1g91 s ARG 48 Ca 0.08 -1.10 0.01 0.00 -2.50 0.00 0.00 55.73 52.22 1g91 s ARG 48 Cb -0.04 -1.78 -0.01 0.00 0.06 0.00 0.00 34.95 33.18 1g91 s ARG 48 CO 0.10 0.45 -0.03 -0.98 -2.50 0.00 0.00 175.30 172.34 1g91 s ARG 49 N -1.39 0.24 0.06 5.12 1.70 -1.26 0.15 118.95 123.57 1g91 s ARG 49 Ca 0.10 -0.30 -0.00 0.00 -0.47 0.00 0.00 55.73 55.06 1g91 s ARG 49 Cb -0.10 -0.10 -0.04 0.00 -0.57 0.00 0.00 34.95 34.15 1g91 s ARG 49 CO 0.03 0.02 -0.04 -0.59 -1.08 0.00 0.00 175.30 173.64 1g91 s PHE 50 N -0.59 0.57 0.42 5.89 -0.12 -0.93 -4.94 117.98 118.28 1g91 s PHE 50 Ca -0.05 -0.96 -0.18 0.00 -0.05 0.00 0.00 56.93 55.69 1g91 s PHE 50 Cb -0.04 -0.39 -0.10 0.00 -0.63 0.00 0.00 43.02 41.85 1g91 s PHE 50 CO -0.00 -0.30 0.90 0.00 -0.05 0.00 0.00 175.22 175.76 1g91 s ALA 52 N -2.22 0.08 -0.16 0.00 0.00 0.43 -2.19 121.76 117.70 1g91 s ALA 52 Ca 0.59 -0.78 -0.20 0.00 0.00 0.00 0.00 51.96 51.56 1g91 s ALA 52 Cb -0.09 0.32 -0.03 0.00 0.00 0.00 0.00 23.12 23.31 1g91 s ALA 52 CO 0.18 -0.38 0.60 1.21 0.00 0.00 0.00 175.76 177.36 1g91 s ASN 53 N -2.57 6.72 0.00 0.00 3.84 -1.26 -2.25 114.94 119.42 1g91 s ASN 53 Ca 0.01 0.87 0.24 0.00 0.21 0.00 0.00 52.86 54.20 1g91 s ASN 53 Cb 0.03 -2.34 1.43 0.00 -0.55 0.00 0.00 41.25 39.82 1g91 s ASN 53 CO -0.08 -0.18 1.81 -0.81 -2.79 0.00 0.00 177.10 175.05 1g91 n PRO 54 N 4.49 0.79 0.00 0.43 -0.04 -1.26 -2.61 135.00 136.81 1g91 n PRO 54 Ca -0.03 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.55 1g91 n PRO 54 Cb 0.50 -1.47 0.20 0.00 -0.04 0.00 0.00 33.50 32.69 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 -0.97 0.61 -4.68 3.54 7.64 -1.26 -4.70 113.62 113.80 1g91 n SER 55 Ca 0.18 -0.40 -0.43 0.00 1.01 0.00 0.00 58.87 59.24 1g91 n SER 55 Cb 0.08 0.36 -0.02 0.00 -1.01 0.00 0.00 64.21 63.62 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 -2.98 7.08 0.33 6.43 2.15 -1.07 -4.90 116.67 123.71 1g91 s ASP 56 Ca 0.11 1.67 0.08 0.00 0.43 0.00 0.00 52.55 54.84 1g91 s ASP 56 Cb 0.17 -2.55 0.80 0.00 -0.30 0.00 0.00 42.92 41.04 1g91 s ASP 56 CO 0.72 -0.61 1.81 0.11 -0.17 0.00 0.00 175.17 177.03 1g91 h LYS 57 N 7.54 0.69 -0.24 4.34 1.57 -1.91 0.43 116.57 128.99 1g91 h LYS 57 Ca -0.30 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.48 1g91 h LYS 57 Cb 1.13 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.27 1g91 h LYS 57 CO 0.91 0.46 0.17 0.37 -0.57 0.00 0.00 179.45 180.78 1g91 h GLN 58 N 0.71 0.16 -0.13 3.15 4.15 -1.96 0.16 115.11 121.35 1g91 h GLN 58 Ca 0.54 -0.01 -0.13 0.00 0.77 0.00 0.00 58.65 59.81 1g91 h GLN 58 Cb 0.90 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.56 1g91 h GLN 58 CO -0.31 0.11 -0.44 0.28 -1.93 0.00 0.00 178.83 176.54 1g91 h VAL 59 N 0.17 1.36 -0.34 2.39 2.07 -0.44 -1.18 116.25 120.28 1g91 h VAL 59 Ca 0.10 -1.73 -0.12 0.00 0.82 0.00 0.00 66.70 65.77 1g91 h VAL 59 Cb 0.21 2.09 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 1g91 h VAL 59 CO -0.02 0.52 -0.30 1.56 0.02 0.00 0.00 177.57 179.36 1g91 h GLN 60 N 0.15 0.72 -0.38 1.57 1.08 -0.95 0.51 115.11 117.81 1g91 h GLN 60 Ca -0.02 -0.32 -0.11 0.00 -1.45 0.00 0.00 58.65 56.75 1g91 h GLN 60 Cb 1.07 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.47 1g91 h GLN 60 CO 0.09 0.93 -0.19 0.28 -0.95 0.00 0.00 178.83 178.99 1g91 h VAL 61 N 0.61 1.28 0.01 -0.54 2.07 -0.72 -3.08 116.25 115.89 1g91 h VAL 61 Ca 0.07 -1.32 -0.25 0.00 0.82 0.00 0.00 66.70 66.03 1g91 h VAL 61 Cb 0.81 1.32 0.01 0.00 -1.52 0.00 0.00 31.29 31.92 1g91 h VAL 61 CO 0.07 0.44 -1.01 0.00 0.02 0.00 0.00 177.57 177.08 1g91 h MET 63 N 0.29 0.00 0.12 0.00 2.07 0.07 0.44 114.93 117.92 1g91 h MET 63 Ca -0.11 0.00 -0.21 0.00 -2.07 0.00 0.00 59.70 57.31 1g91 h MET 63 Cb 1.66 0.00 0.02 0.00 -1.87 0.00 0.00 31.60 31.41 1g91 h MET 63 CO 0.19 0.00 -0.91 0.00 1.07 0.00 0.00 176.91 177.25 1g91 h ARG 64 N 0.00 0.40 -0.59 1.72 2.47 -1.45 -0.86 114.38 116.08 1g91 h ARG 64 Ca 0.03 -0.60 -0.01 0.00 -1.26 0.00 0.00 59.98 58.15 1g91 h ARG 64 Cb 0.69 0.21 -0.03 0.00 -1.65 0.00 0.00 29.97 29.19 1g91 h ARG 64 CO -0.00 1.26 0.33 1.98 0.56 0.00 0.00 179.97 184.10 1g91 h MET 65 N -0.16 0.82 -0.14 0.04 4.05 -1.01 -2.78 114.93 115.75 1g91 h MET 65 Ca -0.15 -0.09 -0.20 0.00 -0.28 0.00 0.00 59.70 58.98 1g91 h MET 65 Cb 1.67 -0.16 0.01 0.00 -0.80 0.00 0.00 31.60 32.32 1g91 h MET 65 CO 0.17 0.62 -0.69 -0.07 0.23 0.00 0.00 176.91 177.17 1g91 h LEU 66 N 0.80 0.85 -1.54 3.39 4.07 -1.52 -3.08 115.31 118.28 1g91 h LEU 66 Ca 0.21 -0.63 0.30 0.00 0.08 0.00 0.00 57.88 57.84 1g91 h LEU 66 Cb 0.03 -0.25 -0.08 0.00 1.08 0.00 0.00 40.66 41.44 1g91 h LEU 66 CO -0.03 1.34 0.73 0.50 -1.08 0.00 0.00 178.44 179.90 1g91 h LYS 67 N 0.41 0.25 -6.46 1.13 3.64 -0.91 -3.39 116.57 111.24 1g91 h LYS 67 Ca -0.05 -0.02 -0.58 0.00 -1.27 0.00 0.00 60.65 58.74 1g91 h LYS 67 Cb 1.32 -0.06 0.05 0.00 -0.41 0.00 0.00 32.23 33.13 1g91 h LYS 67 CO 0.14 0.17 0.92 -0.11 -2.27 0.00 0.00 179.45 178.30 1g91 n LEU 68 N -4.51 3.35 0.00 5.20 -0.00 -1.07 -4.92 117.00 115.04 1g91 n LEU 68 Ca 0.26 1.04 0.00 0.00 -0.00 0.00 0.00 56.01 57.32 1g91 n LEU 68 Cb 1.03 -1.44 0.00 0.00 -0.00 0.00 0.00 43.42 43.01 1g91 n LEU 68 CO 0.29 -0.15 0.12 0.47 -0.00 0.00 0.00 177.39 178.12 1g91 n ASP 69 N 4.53 0.00 -1.31 1.96 9.92 -1.26 -5.03 116.55 125.35 1g91 n ASP 69 Ca 0.18 0.47 0.17 0.00 -0.53 0.00 0.00 54.79 55.08 1g91 n ASP 69 Cb 0.30 -0.32 -0.07 0.00 -0.64 0.00 0.00 41.12 40.39 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 -1.47 -0.19 -1.62 -3.53 -1.04 -1.26 -5.00 114.28 100.17 1g91 n THR 70 Ca 0.00 0.54 0.00 0.00 -2.04 0.00 0.00 64.05 62.55 1g91 n THR 70 Cb 0.00 -0.98 0.00 0.00 -1.82 0.00 0.00 70.33 67.53 1g91 n THR 70 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1g91 n ARG 71 N -4.14 -4.47 -2.64 -2.82 0.63 -1.26 -4.93 116.66 97.03 1g91 n ARG 71 Ca -0.05 3.39 -0.05 0.00 -0.92 0.00 0.00 57.85 60.22 1g91 n ARG 71 Cb 0.61 -4.00 -0.04 0.00 0.45 0.00 0.00 32.46 29.48 1g91 n ARG 71 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 1g91 n ILE 72 N -1.69-12.55 -2.50 5.15 5.41 -1.26 -4.78 119.36 107.13 1g91 n ILE 72 Ca 0.00 2.59 -0.40 0.00 1.00 0.00 0.00 62.75 65.93 1g91 n ILE 72 Cb 0.23 -6.54 -0.03 0.00 -0.71 0.00 0.00 39.64 32.58 1g91 n ILE 72 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 1g91 s LYS 73 N -0.83 3.30 0.45 0.38 -2.85 -1.26 -4.98 119.74 113.96 1g91 s LYS 73 Ca -0.24 -0.58 0.01 0.00 -1.00 0.00 0.00 55.97 54.17 1g91 s LYS 73 Cb 0.02 -4.74 0.09 0.00 -2.06 0.00 0.00 37.83 31.13 1g91 s LYS 73 CO 0.78 -2.27 0.62 0.25 0.10 0.00 0.00 175.35 174.84 1g91 n THR 74 N 6.72 0.00 -3.80 3.79 -2.24 -1.26 -5.06 114.28 112.42 1g91 n THR 74 Ca 0.19 -1.08 -0.35 0.00 -2.27 0.00 0.00 64.05 60.54 1g91 n THR 74 Cb 0.50 -0.98 -0.12 0.00 -2.10 0.00 0.00 70.33 67.63 1g91 n THR 74 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1g91 s ARG 75 N -4.06 2.06 -0.00 -0.78 3.52 -1.26 -4.83 118.95 113.59 1g91 s ARG 75 Ca 0.42 -2.02 0.00 0.00 -0.13 0.00 0.00 55.73 54.00 1g91 s ARG 75 Cb -0.03 -3.56 0.01 0.00 -1.56 0.00 0.00 34.95 29.81 1g91 s ARG 75 CO 0.28 -1.08 0.74 1.63 -0.81 0.00 0.00 175.30 176.06 1g91 n LYS 76 N 4.24 0.09 -0.79 5.12 5.02 -1.26 -5.36 118.16 125.21 1g91 n LYS 76 Ca 0.01 -0.78 0.00 0.00 -2.02 0.00 0.00 58.31 55.52 1g91 n LYS 76 Cb 0.40 -0.53 0.00 0.00 -0.02 0.00 0.00 35.03 34.88 1g91 n LYS 76 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17