#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gx7 s PRO 2 N 0.00 -0.68 0.04 0.00 0.04 -1.26 -5.10 135.00 128.04 1gx7 s PRO 2 Ca 0.00 0.50 -0.02 0.00 0.04 0.00 0.00 61.00 61.52 1gx7 s PRO 2 Cb 0.00 -1.61 -0.03 0.00 0.04 0.00 0.00 34.50 32.91 1gx7 s PRO 2 CO 0.00 -3.48 0.01 0.21 0.04 0.00 0.00 177.00 173.78 1gx7 s LYS 3 N -4.83 0.52 -0.38 4.56 2.20 -1.26 -5.11 119.74 115.44 1gx7 s LYS 3 Ca 0.68 -0.90 -0.26 0.00 -0.36 0.00 0.00 55.97 55.12 1gx7 s LYS 3 Cb -0.20 0.19 0.02 0.00 -1.51 0.00 0.00 37.83 36.33 1gx7 s LYS 3 CO 0.60 -0.11 0.95 0.00 -0.36 0.00 0.00 175.35 176.44 1gx7 s ALA 4 N -2.82 3.39 -1.14 3.13 0.00 -1.26 -4.96 121.76 118.10 1gx7 s ALA 4 Ca -0.03 -0.44 -0.22 0.00 0.00 0.00 0.00 51.96 51.27 1gx7 s ALA 4 Cb 0.00 -3.58 -0.02 0.00 0.00 0.00 0.00 23.12 19.52 1gx7 s ALA 4 CO -0.06 -1.67 1.81 -2.14 0.00 0.00 0.00 175.76 173.70 1gx7 s PRO 5 N 3.57 3.08 0.25 0.00 0.02 -1.26 -4.77 135.00 135.90 1gx7 s PRO 5 Ca 0.39 -1.22 -0.02 0.00 0.02 0.00 0.00 61.00 60.17 1gx7 s PRO 5 Cb -0.11 -5.31 0.32 0.00 0.02 0.00 0.00 34.50 29.41 1gx7 s PRO 5 CO 0.20 -3.12 1.73 0.00 -0.33 0.00 0.00 177.00 175.48 1gx7 h ALA 6 N 9.45 1.07 -2.40 -1.55 0.00 -1.97 -3.35 119.26 120.51 1gx7 h ALA 6 Ca 0.25 -0.29 -0.42 0.00 0.00 0.00 0.00 54.91 54.46 1gx7 h ALA 6 Cb 0.94 -0.18 -0.15 0.00 0.00 0.00 0.00 17.79 18.40 1gx7 h ALA 6 CO 1.32 0.58 -0.74 -0.51 0.00 0.00 0.00 179.25 179.90 1gx7 s ASP 7 N -6.68 2.27 0.00 0.00 1.01 -1.26 -0.03 116.67 111.98 1gx7 s ASP 7 Ca -0.09 -0.97 0.00 0.00 0.71 0.00 0.00 52.55 52.20 1gx7 s ASP 7 Cb 0.14 -0.09 0.00 0.00 1.01 0.00 0.00 42.92 43.98 1gx7 s ASP 7 CO 0.81 -0.20 0.00 0.61 0.21 0.00 0.00 175.17 176.60 1gx7 n GLY 8 N -0.11 0.89 3.41 0.21 0.00 -1.26 -4.92 105.19 103.41 1gx7 n GLY 8 Ca -0.10 -0.61 -0.32 0.00 0.00 0.00 0.00 46.02 44.98 1gx7 n GLY 8 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gx7 s LEU 9 N -1.02 2.49 -0.03 0.99 1.43 -0.67 -4.86 118.68 117.01 1gx7 s LEU 9 Ca 0.00 -0.30 0.01 0.00 -1.03 0.00 0.00 54.13 52.82 1gx7 s LEU 9 Cb 0.00 -1.48 0.01 0.00 0.03 0.00 0.00 46.19 44.76 1gx7 s LEU 9 CO 0.00 0.33 -0.04 -0.75 0.23 0.00 0.00 176.35 176.12 1gx7 s LYS 10 N -0.66 0.60 0.04 1.70 2.20 -1.26 -1.32 119.74 121.03 1gx7 s LYS 10 Ca 0.10 -0.10 0.07 0.00 -0.36 0.00 0.00 55.97 55.69 1gx7 s LYS 10 Cb -0.11 -0.63 -0.02 0.00 -1.51 0.00 0.00 37.83 35.56 1gx7 s LYS 10 CO 0.00 -0.02 -0.21 -1.64 -0.36 0.00 0.00 175.35 173.12 1gx7 s MET 11 N 0.58 1.41 -0.40 4.03 -1.94 0.78 -4.95 119.30 118.81 1gx7 s MET 11 Ca -0.07 -0.93 0.09 0.00 -1.71 0.00 0.00 55.69 53.07 1gx7 s MET 11 Cb -0.10 -1.51 0.38 0.00 2.01 0.00 0.00 34.83 35.61 1gx7 s MET 11 CO -0.00 0.39 1.29 -0.85 -0.01 0.00 0.00 175.02 175.84 1gx7 n GLU 12 N 1.88 1.17 -0.04 2.03 0.28 -1.26 -0.97 120.64 123.74 1gx7 n GLU 12 Ca -0.17 -1.96 -0.14 0.00 -0.16 0.00 0.00 57.16 54.73 1gx7 n GLU 12 Cb 0.53 -0.28 -0.14 0.00 1.43 0.00 0.00 31.44 32.98 1gx7 n GLU 12 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1gx7 n ALA 13 N -0.42 1.29 -2.71 -1.84 0.00 -1.26 -4.54 120.51 111.03 1gx7 n ALA 13 Ca -0.01 -0.83 -0.37 0.00 0.00 0.00 0.00 53.44 52.24 1gx7 n ALA 13 Cb 0.82 -0.62 -0.07 0.00 0.00 0.00 0.00 19.45 19.59 1gx7 n ALA 13 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1gx7 s THR 14 N -2.56 5.29 -0.51 0.00 2.01 -1.26 -4.99 115.64 113.61 1gx7 s THR 14 Ca -0.15 0.53 -0.01 0.00 0.31 0.00 0.00 61.69 62.37 1gx7 s THR 14 Cb 0.07 -3.60 0.35 0.00 0.01 0.00 0.00 72.50 69.33 1gx7 s THR 14 CO 0.78 0.48 2.03 0.29 -0.69 0.00 0.00 174.62 177.51 1gx7 n LYS 15 N 2.87 2.29 -4.71 4.92 4.76 -1.26 -4.67 118.16 122.35 1gx7 n LYS 15 Ca -0.14 -2.51 -0.34 0.00 -2.87 0.00 0.00 58.31 52.45 1gx7 n LYS 15 Cb 0.53 -1.99 -0.12 0.00 -1.84 0.00 0.00 35.03 31.61 1gx7 n LYS 15 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1gx7 s GLN 16 N -2.92 2.68 -1.16 1.97 -1.52 -1.26 -5.04 119.66 112.40 1gx7 s GLN 16 Ca 0.50 -0.60 -0.21 0.00 -1.95 0.00 0.00 55.36 53.10 1gx7 s GLN 16 Cb 0.39 -2.52 0.03 0.00 -0.22 0.00 0.00 33.01 30.68 1gx7 s GLN 16 CO -0.01 0.65 1.71 -1.25 -0.25 0.00 0.00 175.29 176.14 1gx7 s PRO 17 N -0.77 3.47 0.10 2.91 0.04 -1.26 -4.21 135.00 135.28 1gx7 s PRO 17 Ca 0.12 -1.44 -0.21 0.00 0.04 0.00 0.00 61.00 59.51 1gx7 s PRO 17 Cb -0.11 -5.39 -0.07 0.00 0.04 0.00 0.00 34.50 28.97 1gx7 s PRO 17 CO 0.01 -2.66 0.62 0.08 0.04 0.00 0.00 177.00 175.09 1gx7 s VAL 18 N 6.21 4.65 0.18 -0.36 1.01 -0.14 -4.85 120.40 127.10 1gx7 s VAL 18 Ca 0.56 1.34 0.02 0.00 0.00 0.00 0.00 61.98 63.90 1gx7 s VAL 18 Cb 0.01 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 1gx7 s VAL 18 CO 0.03 0.55 0.33 0.54 0.00 0.00 0.00 175.10 176.55 1gx7 s VAL 19 N -1.11 5.28 -0.04 2.92 0.11 -0.66 -0.15 120.40 126.74 1gx7 s VAL 19 Ca 0.31 -0.66 -0.11 0.00 -2.93 0.00 0.00 61.98 58.58 1gx7 s VAL 19 Cb -0.20 -3.77 0.02 0.00 -1.53 0.00 0.00 36.38 30.90 1gx7 s VAL 19 CO 0.21 -0.17 0.26 0.12 -3.33 0.00 0.00 175.10 172.19 1gx7 s PHE 20 N -1.83 -0.16 0.11 1.54 5.36 -0.43 -4.57 117.98 117.99 1gx7 s PHE 20 Ca 0.35 0.30 -0.00 0.00 -0.96 0.00 0.00 56.93 56.62 1gx7 s PHE 20 Cb -0.11 0.06 -0.04 0.00 -0.34 0.00 0.00 43.02 42.60 1gx7 s PHE 20 CO 0.29 -0.30 0.01 -0.80 -1.46 0.00 0.00 175.22 172.96 1gx7 s ASN 21 N -0.93 0.56 0.00 6.13 0.01 -1.26 -1.67 114.94 117.78 1gx7 s ASN 21 Ca -0.10 -1.12 0.25 0.00 -0.71 0.00 0.00 52.86 51.18 1gx7 s ASN 21 Cb -0.05 0.22 0.41 0.00 0.41 0.00 0.00 41.25 42.24 1gx7 s ASN 21 CO 0.02 -0.64 1.35 1.41 -1.51 0.00 0.00 177.10 177.73 1gx7 n HIS 22 N -0.04 0.00 0.00 2.20 8.25 0.96 -4.80 115.22 121.79 1gx7 n HIS 22 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 1gx7 n HIS 22 Cb 0.62 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.67 1gx7 n HIS 22 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1gx7 n SER 23 N -0.37 0.00 -0.34 0.41 7.64 -1.22 -0.79 113.62 118.95 1gx7 n SER 23 Ca 0.11 0.13 0.11 0.00 1.01 0.00 0.00 58.87 60.23 1gx7 n SER 23 Cb 0.40 0.00 0.09 0.00 -1.01 0.00 0.00 64.21 63.69 1gx7 n SER 23 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1gx7 n THR 24 N -0.59 0.00 -0.03 0.44 -1.04 -1.26 -4.08 114.28 107.72 1gx7 n THR 24 Ca 0.00 -0.18 -0.14 0.00 -2.04 0.00 0.00 64.05 61.69 1gx7 n THR 24 Cb 0.00 0.95 -0.10 0.00 -1.82 0.00 0.00 70.33 69.36 1gx7 n THR 24 CO 0.00 0.00 0.00 0.45 -0.64 0.00 0.00 175.07 174.88 1gx7 h HIS 25 N 1.68 0.15 0.00 -1.42 -0.00 -1.61 -3.35 115.15 110.60 1gx7 h HIS 25 Ca 0.00 -0.07 -0.03 0.00 -0.00 0.00 0.00 60.37 60.27 1gx7 h HIS 25 Cb 0.65 -0.02 -0.00 0.00 -0.00 0.00 0.00 27.41 28.03 1gx7 h HIS 25 CO 0.00 0.75 -0.14 1.57 -0.00 0.00 0.00 177.93 180.11 1gx7 h LYS 26 N -0.49 0.00 -0.83 2.45 2.10 -1.11 0.10 116.57 118.80 1gx7 h LYS 26 Ca -0.01 0.00 0.23 0.00 -2.00 0.00 0.00 60.65 58.88 1gx7 h LYS 26 Cb 0.77 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.06 1gx7 h LYS 26 CO 0.02 0.14 0.59 0.77 -2.00 0.00 0.00 179.45 178.98 1gx7 h SER 27 N 0.00 0.04 -0.70 7.07 0.02 -1.83 -3.10 113.55 115.04 1gx7 h SER 27 Ca -0.00 0.00 -0.72 0.00 -0.84 0.00 0.00 61.79 60.24 1gx7 h SER 27 Cb 0.34 -0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.80 1gx7 h SER 27 CO 0.02 0.02 2.92 0.52 -1.14 0.00 0.00 176.83 179.16 1gx7 n VAL 28 N -4.31 4.69 -0.27 2.27 0.31 0.36 -4.67 118.33 116.71 1gx7 n VAL 28 Ca 0.17 -3.64 0.00 0.00 -0.01 0.00 0.00 64.34 60.85 1gx7 n VAL 28 Cb 0.87 -2.33 0.00 0.00 -0.91 0.00 0.00 33.84 31.47 1gx7 n VAL 28 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1gx7 n LYS 29 N 2.94 0.00 0.00 5.55 5.02 -1.22 -3.78 118.16 126.67 1gx7 n LYS 29 Ca 0.65 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.94 1gx7 n LYS 29 Cb 0.27 -3.54 0.00 0.00 -0.02 0.00 0.00 35.03 31.74 1gx7 n LYS 29 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1gx7 n GLY 31 N 0.00 3.35 2.72 0.00 0.00 -1.26 -0.08 105.19 109.92 1gx7 n GLY 31 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.39 1gx7 n GLY 31 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1gx7 n ASP 32 N 0.21 1.29 0.00 1.61 2.03 -1.25 -4.47 116.55 115.97 1gx7 n ASP 32 Ca 0.23 -2.03 0.00 0.00 0.52 0.00 0.00 54.79 53.51 1gx7 n ASP 32 Cb 0.77 -0.38 0.00 0.00 -0.72 0.00 0.00 41.12 40.79 1gx7 n ASP 32 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1gx7 s HIS 34 N -1.72 3.50 0.18 0.00 3.76 0.89 -5.05 115.29 116.85 1gx7 s HIS 34 Ca 0.00 1.65 0.06 0.00 -0.15 0.00 0.00 55.06 56.62 1gx7 s HIS 34 Cb 0.00 -3.34 -0.04 0.00 1.11 0.00 0.00 32.58 30.31 1gx7 s HIS 34 CO 0.00 -0.75 0.12 -3.38 -0.85 0.00 0.00 174.74 169.88 1gx7 s HIS 35 N -1.13 3.10 -0.02 1.40 -0.00 -1.26 -4.08 115.29 113.29 1gx7 s HIS 35 Ca 0.45 -0.05 -0.33 0.00 -0.00 0.00 0.00 55.06 55.13 1gx7 s HIS 35 Cb -0.33 -1.48 -0.12 0.00 -0.00 0.00 0.00 32.58 30.66 1gx7 s HIS 35 CO 0.43 0.52 1.84 -0.35 -0.00 0.00 0.00 174.74 177.18 1gx7 n PRO 36 N -0.41 2.29 -3.18 -0.38 -0.04 -1.26 -3.78 135.00 128.23 1gx7 n PRO 36 Ca -0.08 0.84 -0.46 0.00 -0.04 0.00 0.00 63.50 63.76 1gx7 n PRO 36 Cb 0.55 -2.69 -0.02 0.00 -0.04 0.00 0.00 33.50 31.31 1gx7 n PRO 36 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1gx7 s VAL 37 N 3.53 5.35 0.00 0.52 1.01 0.83 -4.83 120.40 126.81 1gx7 s VAL 37 Ca 0.89 -2.31 0.00 0.00 0.00 0.00 0.00 61.98 60.56 1gx7 s VAL 37 Cb -0.65 -4.61 0.00 0.00 0.00 0.00 0.00 36.38 31.12 1gx7 s VAL 37 CO 0.48 -1.23 0.00 -3.20 0.00 0.00 0.00 175.10 171.15 1gx7 n ASN 38 N 4.73 0.00 -2.72 3.32 2.85 -1.26 -1.66 115.26 120.51 1gx7 n ASN 38 Ca 0.20 0.00 -0.03 0.00 -0.11 0.00 0.00 54.58 54.63 1gx7 n ASN 38 Cb 0.47 0.00 0.09 0.00 1.24 0.00 0.00 39.78 41.58 1gx7 n ASN 38 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1gx7 n GLY 39 N 0.00 1.80 3.82 8.20 0.00 -1.26 -5.05 105.19 112.70 1gx7 n GLY 39 Ca 0.00 -0.54 -0.06 0.00 0.00 0.00 0.00 46.02 45.42 1gx7 n GLY 39 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1gx7 s LYS 40 N -1.35 1.67 0.06 1.61 2.20 -0.67 -5.18 119.74 118.08 1gx7 s LYS 40 Ca 0.18 -1.01 -0.08 0.00 -0.36 0.00 0.00 55.97 54.70 1gx7 s LYS 40 Cb 0.41 0.51 -0.00 0.00 -1.51 0.00 0.00 37.83 37.23 1gx7 s LYS 40 CO -0.08 -0.78 0.16 -2.00 -0.36 0.00 0.00 175.35 172.30 1gx7 s GLU 41 N -2.88 0.73 0.08 4.03 2.12 -1.26 -0.12 118.70 121.39 1gx7 s GLU 41 Ca 0.15 -0.81 0.03 0.00 0.36 0.00 0.00 54.97 54.70 1gx7 s GLU 41 Cb -0.04 0.29 -0.03 0.00 0.26 0.00 0.00 34.13 34.61 1gx7 s GLU 41 CO 0.07 -0.21 -0.08 -0.51 -0.54 0.00 0.00 175.26 173.98 1gx7 s ASP 42 N -2.43 1.17 -0.18 -1.70 1.01 -1.25 -4.80 116.67 108.49 1gx7 s ASP 42 Ca -0.01 -0.79 -0.04 0.00 0.71 0.00 0.00 52.55 52.42 1gx7 s ASP 42 Cb 0.02 0.04 -0.02 0.00 1.01 0.00 0.00 42.92 43.97 1gx7 s ASP 42 CO -0.07 -0.31 -0.03 -0.31 0.21 0.00 0.00 175.17 174.66 1gx7 s TYR 43 N -2.48 3.00 -0.17 4.23 2.02 -1.26 -4.50 117.35 118.19 1gx7 s TYR 43 Ca 0.03 -0.50 -0.33 0.00 -0.37 0.00 0.00 57.07 55.90 1gx7 s TYR 43 Cb -0.03 -2.02 0.14 0.00 -0.40 0.00 0.00 41.96 39.65 1gx7 s TYR 43 CO -0.01 -0.22 1.15 0.50 -1.57 0.00 0.00 175.55 175.40 1gx7 s ARG 44 N 0.79 0.39 0.18 -0.62 3.52 -1.26 -5.15 118.95 116.80 1gx7 s ARG 44 Ca -0.01 -0.10 -0.30 0.00 -0.13 0.00 0.00 55.73 55.19 1gx7 s ARG 44 Cb -0.14 0.18 -0.17 0.00 -1.56 0.00 0.00 34.95 33.26 1gx7 s ARG 44 CO 0.02 -0.16 0.68 1.17 -0.81 0.00 0.00 175.30 176.19 1gx7 n LYS 45 N 0.02 0.20 0.04 5.12 4.81 -1.26 -4.95 118.16 122.15 1gx7 n LYS 45 Ca -0.02 0.07 0.04 0.00 -0.87 0.00 0.00 58.31 57.53 1gx7 n LYS 45 Cb 0.59 -1.20 -0.07 0.00 0.02 0.00 0.00 35.03 34.37 1gx7 n LYS 45 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1gx7 n GLY 47 N 1.33 2.74 3.14 0.00 0.00 -1.26 -4.74 105.19 106.40 1gx7 n GLY 47 Ca -0.07 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.14 1gx7 n GLY 47 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1gx7 n THR 48 N 1.67 3.71 -1.49 2.61 -2.24 -1.25 -4.92 114.28 112.36 1gx7 n THR 48 Ca 0.13 -3.56 -0.43 0.00 -2.27 0.00 0.00 64.05 57.91 1gx7 n THR 48 Cb 0.61 -2.48 -0.08 0.00 -2.10 0.00 0.00 70.33 66.28 1gx7 n THR 48 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1gx7 n ALA 49 N 7.16 0.78 0.00 6.98 0.00 -1.18 -0.42 120.51 133.83 1gx7 n ALA 49 Ca 0.50 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1gx7 n ALA 49 Cb 0.42 -2.70 0.00 0.00 0.00 0.00 0.00 19.45 17.18 1gx7 n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gx7 n GLY 50 N 6.36 4.34 0.11 0.00 0.00 -1.26 -4.88 105.19 109.86 1gx7 n GLY 50 Ca 0.46 -0.70 -0.21 0.00 0.00 0.00 0.00 46.02 45.58 1gx7 n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gx7 s HIS 52 N -2.41 2.30 0.00 0.00 3.76 -1.00 -4.37 115.29 113.56 1gx7 s HIS 52 Ca -0.23 -0.90 0.00 0.00 -0.15 0.00 0.00 55.06 53.78 1gx7 s HIS 52 Cb 0.04 -1.55 0.00 0.00 1.11 0.00 0.00 32.58 32.18 1gx7 s HIS 52 CO 0.70 -0.37 0.00 -0.40 -0.85 0.00 0.00 174.74 173.82 1gx7 n ASP 53 N 3.53 0.00 -4.60 1.40 5.75 0.87 -3.08 116.55 120.41 1gx7 n ASP 53 Ca -0.20 0.00 -0.43 0.00 -0.01 0.00 0.00 54.79 54.15 1gx7 n ASP 53 Cb 0.53 0.23 -0.03 0.00 -1.03 0.00 0.00 41.12 40.82 1gx7 n ASP 53 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 1gx7 s SER 54 N -2.65 6.03 -1.31 -1.12 0.01 0.22 -4.82 113.70 110.05 1gx7 s SER 54 Ca 0.00 1.25 -0.10 0.00 1.31 0.00 0.00 55.95 58.41 1gx7 s SER 54 Cb 0.00 -2.53 0.14 0.00 0.21 0.00 0.00 66.02 63.84 1gx7 s SER 54 CO 0.00 -1.61 1.92 0.23 0.41 0.00 0.00 173.24 174.19 1gx7 n MET 55 N 8.29 3.48 -4.02 12.44 2.81 -1.26 -1.10 117.12 137.76 1gx7 n MET 55 Ca 0.21 -3.37 -0.10 0.00 -1.81 0.00 0.00 57.70 52.63 1gx7 n MET 55 Cb 0.47 -3.00 -0.05 0.00 -0.71 0.00 0.00 33.22 29.93 1gx7 n MET 55 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1gx7 s ASP 56 N 1.37 0.10 -0.16 7.83 1.01 -1.26 -5.01 116.67 120.54 1gx7 s ASP 56 Ca 0.41 -1.06 0.22 0.00 0.71 0.00 0.00 52.55 52.83 1gx7 s ASP 56 Cb 0.10 0.60 0.47 0.00 1.01 0.00 0.00 42.92 45.09 1gx7 s ASP 56 CO -0.01 -1.17 1.15 2.29 0.21 0.00 0.00 175.17 177.63 1gx7 n LYS 57 N -0.41 1.20 -4.06 8.23 2.85 -1.26 -4.15 118.16 120.55 1gx7 n LYS 57 Ca -0.01 -2.96 -0.11 0.00 -1.05 0.00 0.00 58.31 54.18 1gx7 n LYS 57 Cb 0.62 -1.03 -0.11 0.00 -0.65 0.00 0.00 35.03 33.86 1gx7 n LYS 57 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1gx7 s LYS 58 N -2.26 0.54 -0.51 -1.58 1.02 -1.26 -4.80 119.74 110.89 1gx7 s LYS 58 Ca 0.32 -0.85 -0.01 0.00 0.02 0.00 0.00 55.97 55.45 1gx7 s LYS 58 Cb 0.36 -0.17 -0.01 0.00 -0.52 0.00 0.00 37.83 37.49 1gx7 s LYS 58 CO -0.09 0.01 0.43 -3.47 -0.92 0.00 0.00 175.35 171.32 1gx7 n ASP 59 N 1.16 -2.79 -2.64 2.83 2.03 -1.26 -4.62 116.55 111.25 1gx7 n ASP 59 Ca -0.21 -0.29 -0.26 0.00 0.52 0.00 0.00 54.79 54.56 1gx7 n ASP 59 Cb 0.56 -2.58 -0.09 0.00 -0.72 0.00 0.00 41.12 38.29 1gx7 n ASP 59 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1gx7 n LYS 60 N -2.35 2.87 -3.58 -0.67 5.02 -1.26 -2.89 118.16 115.30 1gx7 n LYS 60 Ca -0.09 -1.78 -0.14 0.00 -2.02 0.00 0.00 58.31 54.27 1gx7 n LYS 60 Cb 0.57 -2.35 -0.12 0.00 -0.02 0.00 0.00 35.03 33.10 1gx7 n LYS 60 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1gx7 s SER 61 N 1.75 0.64 0.00 4.39 0.01 -1.26 -5.01 113.70 114.22 1gx7 s SER 61 Ca 0.66 0.32 0.00 0.00 1.31 0.00 0.00 55.95 58.24 1gx7 s SER 61 Cb 0.27 0.66 0.00 0.00 0.21 0.00 0.00 66.02 67.15 1gx7 s SER 61 CO -0.05 -0.27 0.00 0.00 0.41 0.00 0.00 173.24 173.33 1gx7 n ALA 62 N 5.34 0.00 0.11 1.44 0.00 -1.26 -4.39 120.51 121.75 1gx7 n ALA 62 Ca -0.06 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.37 1gx7 n ALA 62 Cb 0.50 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.96 1gx7 n ALA 62 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1gx7 h LYS 63 N 0.00 0.00 -6.05 0.00 1.57 -1.76 -3.39 116.57 106.95 1gx7 h LYS 63 Ca 0.00 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.27 1gx7 h LYS 63 Cb 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 1gx7 h LYS 63 CO 0.00 0.72 1.32 0.20 -0.57 0.00 0.00 179.45 181.12 1gx7 s GLY 64 N -4.56 0.32 0.34 3.86 0.00 -1.14 -0.09 107.32 106.05 1gx7 s GLY 64 Ca 0.02 -0.60 0.13 0.00 0.00 0.00 0.00 44.72 44.27 1gx7 s GLY 64 CO 0.77 3.34 1.76 -1.82 0.00 0.00 0.00 173.10 177.15 1gx7 h TYR 65 N 14.35 0.00 -0.77 1.90 3.20 -1.30 0.14 116.97 134.49 1gx7 h TYR 65 Ca -0.27 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.58 1gx7 h TYR 65 Cb 1.15 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 39.39 1gx7 h TYR 65 CO 1.04 0.45 0.40 -0.92 -1.64 0.00 0.00 178.16 177.48 1gx7 h TYR 66 N 0.00 1.09 0.00 -3.82 5.03 -1.72 -3.05 116.97 114.50 1gx7 h TYR 66 Ca -0.00 -0.04 -0.19 0.00 2.58 0.00 0.00 58.73 61.08 1gx7 h TYR 66 Cb 0.81 -0.34 -0.03 0.00 1.55 0.00 0.00 36.73 38.72 1gx7 h TYR 66 CO 0.00 0.78 -0.90 1.12 -1.32 0.00 0.00 178.16 177.84 1gx7 h HIS 67 N 1.08 0.00 0.00 -3.82 2.07 -1.18 -1.06 115.15 112.24 1gx7 h HIS 67 Ca 0.27 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.79 1gx7 h HIS 67 Cb 0.08 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.06 1gx7 h HIS 67 CO 0.01 0.90 0.00 -0.39 -3.07 0.00 0.00 177.93 175.38 1gx7 h VAL 68 N 0.00 0.00 0.00 6.12 -1.51 -1.36 -0.02 116.25 119.48 1gx7 h VAL 68 Ca -0.01 -0.67 -0.01 0.00 -1.23 0.00 0.00 66.70 64.78 1gx7 h VAL 68 Cb 1.60 1.64 -0.00 0.00 -2.13 0.00 0.00 31.29 32.40 1gx7 h VAL 68 CO 0.12 0.00 -0.11 0.24 -1.23 0.00 0.00 177.57 176.59 1gx7 h MET 69 N 0.00 0.00 0.00 5.19 2.86 -1.40 -3.25 114.93 118.33 1gx7 h MET 69 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1gx7 h MET 69 Cb 0.76 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.42 1gx7 h MET 69 CO 0.00 0.28 -1.46 0.72 1.06 0.00 0.00 176.91 177.51 1gx7 n HIS 70 N -4.71 0.48 -2.68 -0.22 -0.00 -0.42 -0.87 115.22 106.79 1gx7 n HIS 70 Ca -0.05 0.14 -0.39 0.00 -0.00 0.00 0.00 57.72 57.43 1gx7 n HIS 70 Cb 0.17 -0.71 -0.06 0.00 -0.00 0.00 0.00 29.99 29.39 1gx7 n HIS 70 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1gx7 s ASP 71 N -4.88 7.38 -0.02 0.41 1.11 -0.05 -4.64 116.67 115.99 1gx7 s ASP 71 Ca -0.04 1.99 0.14 0.00 0.18 0.00 0.00 52.55 54.82 1gx7 s ASP 71 Cb 0.12 -2.60 0.43 0.00 1.07 0.00 0.00 42.92 41.93 1gx7 s ASP 71 CO 0.85 -0.04 1.34 0.29 1.18 0.00 0.00 175.17 178.79 1gx7 n LYS 72 N 0.98 2.24 -3.80 8.23 4.01 -1.26 -2.75 118.16 125.82 1gx7 n LYS 72 Ca 0.00 -1.73 -0.10 0.00 -0.51 0.00 0.00 58.31 55.98 1gx7 n LYS 72 Cb 0.48 -1.43 -0.05 0.00 -0.51 0.00 0.00 35.03 33.51 1gx7 n LYS 72 CO 0.00 0.00 0.00 1.21 -1.11 0.00 0.00 177.40 177.50 1gx7 s ASN 73 N -0.94 -0.12 0.00 4.39 2.47 -1.26 -4.39 114.94 115.09 1gx7 s ASN 73 Ca 0.32 -0.59 0.00 0.00 0.42 0.00 0.00 52.86 53.01 1gx7 s ASN 73 Cb 0.17 0.49 0.00 0.00 -1.45 0.00 0.00 41.25 40.46 1gx7 s ASN 73 CO 0.20 -0.93 0.00 0.35 -3.72 0.00 0.00 177.10 173.00 1gx7 n THR 74 N -0.25 0.00 0.50 -5.21 -2.24 -1.26 -4.80 114.28 101.02 1gx7 n THR 74 Ca -0.11 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.80 1gx7 n THR 74 Cb 0.63 0.00 0.39 0.00 -2.10 0.00 0.00 70.33 69.25 1gx7 n THR 74 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1gx7 h LYS 75 N 0.00 0.00 0.00 -0.78 1.57 -1.99 -3.44 116.57 111.93 1gx7 h LYS 75 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1gx7 h LYS 75 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1gx7 h LYS 75 CO 0.00 0.00 0.00 1.19 -0.57 0.00 0.00 179.45 180.07 1gx7 n PHE 76 N -2.46 -0.78 -3.57 -1.35 3.72 -1.26 -5.07 117.46 106.69 1gx7 n PHE 76 Ca 0.04 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.05 1gx7 n PHE 76 Cb 0.41 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.84 1gx7 n PHE 76 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1gx7 s LYS 77 N -0.03 3.51 0.62 -1.08 1.02 -1.26 -4.80 119.74 117.71 1gx7 s LYS 77 Ca 0.00 -0.63 -0.10 0.00 0.02 0.00 0.00 55.97 55.26 1gx7 s LYS 77 Cb 0.00 -3.73 0.15 0.00 -0.52 0.00 0.00 37.83 33.73 1gx7 s LYS 77 CO 0.00 -0.41 0.70 -1.13 -0.92 0.00 0.00 175.35 173.59 1gx7 n SER 78 N 5.07 -0.69 0.01 2.83 3.41 -1.26 -4.62 113.62 118.37 1gx7 n SER 78 Ca -0.13 -1.10 -0.13 0.00 -0.26 0.00 0.00 58.87 57.25 1gx7 n SER 78 Cb 0.50 -0.58 -0.10 0.00 -0.26 0.00 0.00 64.21 63.78 1gx7 n SER 78 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1gx7 h VAL 80 N -0.62 1.32 -0.03 0.00 2.07 -1.23 0.54 116.25 118.30 1gx7 h VAL 80 Ca -0.01 -1.95 0.02 0.00 0.82 0.00 0.00 66.70 65.58 1gx7 h VAL 80 Cb 0.54 2.08 -0.05 0.00 -1.52 0.00 0.00 31.29 32.33 1gx7 h VAL 80 CO 0.01 0.55 -0.51 1.23 0.02 0.00 0.00 177.57 178.86 1gx7 h GLY 81 N 1.86 -1.14 1.11 2.17 0.00 -1.33 0.24 103.07 105.97 1gx7 h GLY 81 Ca -0.01 0.67 -0.13 0.00 0.00 0.00 0.00 47.33 47.86 1gx7 h GLY 81 CO 0.07 -0.24 -0.22 0.00 0.00 0.00 0.00 176.54 176.16 1gx7 h HIS 83 N 0.86 -0.49 -0.19 0.00 3.86 -0.58 0.11 115.15 118.72 1gx7 h HIS 83 Ca 0.11 0.02 -0.17 0.00 -1.16 0.00 0.00 60.37 59.17 1gx7 h HIS 83 Cb 0.80 0.22 -0.00 0.00 1.06 0.00 0.00 27.41 29.49 1gx7 h HIS 83 CO 0.05 -0.27 -0.58 0.28 0.86 0.00 0.00 177.93 178.27 1gx7 h VAL 84 N -0.28 1.31 0.00 2.45 2.07 -0.42 -1.69 116.25 119.69 1gx7 h VAL 84 Ca 0.07 -1.83 -0.07 0.00 0.82 0.00 0.00 66.70 65.69 1gx7 h VAL 84 Cb 0.38 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 1gx7 h VAL 84 CO -0.20 0.57 -0.32 -0.33 0.02 0.00 0.00 177.57 177.31 1gx7 h GLU 85 N 0.47 0.00 0.10 1.57 5.08 -0.92 0.41 114.58 121.29 1gx7 h GLU 85 Ca 0.00 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.10 1gx7 h GLU 85 Cb 1.15 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.40 1gx7 h GLU 85 CO 0.11 0.32 -1.21 0.28 -1.00 0.00 0.00 179.01 177.52 1gx7 h VAL 86 N 0.00 1.53 0.02 3.13 2.07 -0.74 -3.30 116.25 118.96 1gx7 h VAL 86 Ca -0.00 -3.13 -0.26 0.00 0.82 0.00 0.00 66.70 64.13 1gx7 h VAL 86 Cb 0.83 2.92 0.01 0.00 -1.52 0.00 0.00 31.29 33.54 1gx7 h VAL 86 CO 0.04 0.91 -1.04 0.00 0.02 0.00 0.00 177.57 177.50 1gx7 h ALA 87 N 0.66 0.20 0.00 1.67 0.00 -0.83 -3.48 119.26 117.49 1gx7 h ALA 87 Ca -0.11 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.08 1gx7 h ALA 87 Cb 1.93 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.76 1gx7 h ALA 87 CO 0.19 0.75 0.00 0.41 0.00 0.00 0.00 179.25 180.60 1gx7 n GLY 88 N 1.09 2.04 0.00 0.00 0.00 0.14 -4.72 105.19 103.74 1gx7 n GLY 88 Ca -0.10 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1gx7 n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gx7 n ALA 89 N 0.00 0.00 -1.29 4.61 0.00 -1.26 -4.82 120.51 117.75 1gx7 n ALA 89 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1gx7 n ALA 89 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1gx7 n ALA 89 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1gx7 n ASP 90 N 0.00 -1.71 0.00 0.00 8.00 -1.26 -4.37 116.55 117.20 1gx7 n ASP 90 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1gx7 n ASP 90 Cb 0.00 -0.86 0.00 0.00 -0.02 0.00 0.00 41.12 40.24 1gx7 n ASP 90 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1gx7 n ALA 91 N -0.85 0.00 -0.06 2.24 0.00 -1.26 -0.66 120.51 119.92 1gx7 n ALA 91 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 1gx7 n ALA 91 Cb 0.42 0.00 0.39 0.00 0.00 0.00 0.00 19.45 20.26 1gx7 n ALA 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gx7 h ALA 92 N 0.00 1.69 -0.49 0.00 0.00 -1.98 0.11 119.26 118.60 1gx7 h ALA 92 Ca 0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1gx7 h ALA 92 Cb 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1gx7 h ALA 92 CO 0.00 0.27 -0.17 0.87 0.00 0.00 0.00 179.25 180.22 1gx7 h LYS 93 N 0.64 0.98 0.05 0.00 1.57 -1.14 -0.41 116.57 118.25 1gx7 h LYS 93 Ca 0.19 -0.40 -0.25 0.00 -1.87 0.00 0.00 60.65 58.33 1gx7 h LYS 93 Cb -0.00 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.27 1gx7 h LYS 93 CO -0.05 1.07 -1.06 -0.22 -0.57 0.00 0.00 179.45 178.62 1gx7 h LYS 94 N 0.83 0.46 -0.53 3.15 3.11 -1.41 -2.88 116.57 119.30 1gx7 h LYS 94 Ca 0.12 -0.55 -0.03 0.00 -2.81 0.00 0.00 60.65 57.38 1gx7 h LYS 94 Cb 0.74 0.17 -0.03 0.00 -1.00 0.00 0.00 32.23 32.12 1gx7 h LYS 94 CO 0.06 1.20 0.20 0.87 -2.81 0.00 0.00 179.45 178.97 1gx7 h LYS 95 N 0.23 0.76 -0.00 1.90 1.57 -0.66 0.39 116.57 120.76 1gx7 h LYS 95 Ca -0.11 -0.12 -0.10 0.00 -1.87 0.00 0.00 60.65 58.45 1gx7 h LYS 95 Cb 1.72 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.88 1gx7 h LYS 95 CO 0.19 0.64 -0.48 0.22 -0.57 0.00 0.00 179.45 179.44 1gx7 h ASP 96 N 0.75 0.00 0.06 0.86 3.58 -0.88 -1.44 116.42 119.36 1gx7 h ASP 96 Ca 0.18 -0.00 -0.36 0.00 0.42 0.00 0.00 57.03 57.27 1gx7 h ASP 96 Cb 0.17 -0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.18 1gx7 h ASP 96 CO -0.02 0.48 -2.06 0.18 -2.88 0.00 0.00 179.24 174.94 1gx7 n LEU 97 N -3.97 2.53 -2.47 2.28 4.77 -0.89 -0.04 117.00 119.22 1gx7 n LEU 97 Ca -0.02 0.17 -0.16 0.00 -0.03 0.00 0.00 56.01 55.97 1gx7 n LEU 97 Cb 0.50 -1.01 0.02 0.00 -2.33 0.00 0.00 43.42 40.60 1gx7 n LEU 97 CO 0.40 0.75 0.07 0.41 -1.33 0.00 0.00 177.39 177.70 1gx7 n THR 98 N -3.66 1.87 0.07 -5.08 -1.04 0.13 -4.23 114.28 102.34 1gx7 n THR 98 Ca -0.38 -3.86 -0.13 0.00 -2.04 0.00 0.00 64.05 57.64 1gx7 n THR 98 Cb 0.96 -0.22 -0.05 0.00 -1.82 0.00 0.00 70.33 69.20 1gx7 n THR 98 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1gx7 h GLY 99 N 2.56 0.44 0.00 3.41 0.00 -1.41 -3.44 103.07 104.63 1gx7 h GLY 99 Ca 0.13 -0.78 0.00 0.00 0.00 0.00 0.00 47.33 46.68 1gx7 h GLY 99 CO 0.59 0.69 0.00 0.00 0.00 0.00 0.00 176.54 177.83 1gx7 s LYS 101 N 0.00 1.27 -1.47 0.00 -2.85 -1.26 -4.68 119.74 110.75 1gx7 s LYS 101 Ca 0.00 -1.52 -0.06 0.00 -1.00 0.00 0.00 55.97 53.39 1gx7 s LYS 101 Cb 0.00 -1.10 0.01 0.00 -2.06 0.00 0.00 37.83 34.67 1gx7 s LYS 101 CO 0.00 0.19 0.79 1.63 0.10 0.00 0.00 175.35 178.06 1gx7 n LYS 102 N -0.17 -5.85 -4.44 1.78 5.02 -0.82 -4.98 118.16 108.70 1gx7 n LYS 102 Ca -0.10 0.87 -0.34 0.00 -2.02 0.00 0.00 58.31 56.73 1gx7 n LYS 102 Cb 0.59 -5.76 -0.12 0.00 -0.02 0.00 0.00 35.03 29.73 1gx7 n LYS 102 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1gx7 s SER 103 N -2.91 4.81 -1.16 4.39 0.01 0.16 -4.81 113.70 114.19 1gx7 s SER 103 Ca 0.39 -0.09 -0.20 0.00 1.31 0.00 0.00 55.95 57.37 1gx7 s SER 103 Cb -0.17 -1.66 -0.04 0.00 0.21 0.00 0.00 66.02 64.36 1gx7 s SER 103 CO 0.49 0.22 1.94 0.29 0.41 0.00 0.00 173.24 176.58 1gx7 n LYS 104 N 3.19 2.22 0.00 12.44 4.76 0.94 -1.15 118.16 140.57 1gx7 n LYS 104 Ca -0.18 -2.55 0.00 0.00 -2.87 0.00 0.00 58.31 52.72 1gx7 n LYS 104 Cb 0.53 -3.38 0.00 0.00 -1.84 0.00 0.00 35.03 30.33 1gx7 n LYS 104 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1gx7 n HIS 106 N 0.00 0.00 0.00 0.00 -0.00 -0.30 -4.71 115.22 110.20 1gx7 n HIS 106 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1gx7 n HIS 106 Cb 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 29.99 30.03 1gx7 n HIS 106 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73