#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cg7 n VAL 2 N 0.00 0.00 -3.64 1.12 3.14 -1.26 -5.14 118.33 112.55 1cg7 n VAL 2 Ca 0.00 -1.12 -0.04 0.00 -2.96 0.00 0.00 64.34 60.22 1cg7 n VAL 2 Cb 0.00 1.28 -0.07 0.00 -1.06 0.00 0.00 33.84 33.99 1cg7 n VAL 2 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 1cg7 s THR 3 N 0.53 0.00 -1.16 1.55 -1.32 -1.26 -5.04 115.64 108.94 1cg7 s THR 3 Ca 0.29 0.00 -0.07 0.00 -1.21 0.00 0.00 61.69 60.70 1cg7 s THR 3 Cb 0.20 -1.00 -0.07 0.00 -1.51 0.00 0.00 72.50 70.12 1cg7 s THR 3 CO -0.17 0.00 2.49 -0.81 -2.21 0.00 0.00 174.62 173.92 1cg7 n PRO 4 N 2.60 2.71 -1.33 7.08 -0.04 -1.26 -4.92 135.00 139.83 1cg7 n PRO 4 Ca -0.14 -1.72 -0.35 0.00 -0.04 0.00 0.00 63.50 61.25 1cg7 n PRO 4 Cb 0.57 -2.56 0.10 0.00 -0.04 0.00 0.00 33.50 31.57 1cg7 n PRO 4 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1cg7 n ARG 5 N 3.87 0.50 -0.33 0.54 0.63 -1.26 -4.88 116.66 115.73 1cg7 n ARG 5 Ca 0.58 0.24 -0.05 0.00 -0.92 0.00 0.00 57.85 57.70 1cg7 n ARG 5 Cb 0.20 -2.40 -0.00 0.00 0.45 0.00 0.00 32.46 30.70 1cg7 n ARG 5 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1cg7 h GLU 6 N -0.37 -0.07 -6.28 -0.14 4.39 -2.08 -3.36 114.58 106.67 1cg7 h GLU 6 Ca -0.48 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 58.67 1cg7 h GLU 6 Cb 1.32 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.96 1cg7 h GLU 6 CO 0.48 -0.04 0.76 -1.25 -1.16 0.00 0.00 179.01 177.80 1cg7 s PRO 7 N -5.86 4.32 1.31 2.33 0.04 -1.26 -5.02 135.00 130.86 1cg7 s PRO 7 Ca -0.14 1.70 -0.19 0.00 0.04 0.00 0.00 61.00 62.40 1cg7 s PRO 7 Cb 0.17 -3.61 0.33 0.00 0.04 0.00 0.00 34.50 31.42 1cg7 s PRO 7 CO 0.69 -0.52 0.99 -1.59 0.04 0.00 0.00 177.00 176.60 1cg7 s LYS 8 N 2.55 -2.05 0.02 4.56 -2.85 -1.26 -5.06 119.74 115.65 1cg7 s LYS 8 Ca 0.56 0.26 0.00 0.00 -1.00 0.00 0.00 55.97 55.80 1cg7 s LYS 8 Cb -0.24 -1.47 0.00 0.00 -2.06 0.00 0.00 37.83 34.06 1cg7 s LYS 8 CO 0.21 -4.33 0.02 1.63 0.10 0.00 0.00 175.35 172.97 1cg7 n LYS 9 N -5.26 1.27 0.00 1.78 4.76 -1.26 -5.07 118.16 114.37 1cg7 n LYS 9 Ca 0.10 -0.09 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 1cg7 n LYS 9 Cb 0.59 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.78 1cg7 n LYS 9 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1cg7 n ARG 10 N -0.75 0.00 -4.06 1.97 1.74 -1.26 -4.89 116.66 109.41 1cg7 n ARG 10 Ca 0.00 0.12 -0.32 0.00 -0.77 0.00 0.00 57.85 56.88 1cg7 n ARG 10 Cb 0.02 -0.58 -0.16 0.00 -1.02 0.00 0.00 32.46 30.72 1cg7 n ARG 10 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1cg7 s THR 11 N -0.27 1.97 -0.29 0.55 2.01 -1.26 -5.08 115.64 113.28 1cg7 s THR 11 Ca 0.00 -1.27 0.02 0.00 0.31 0.00 0.00 61.69 60.75 1cg7 s THR 11 Cb 0.00 -2.00 0.07 0.00 0.01 0.00 0.00 72.50 70.58 1cg7 s THR 11 CO 0.00 0.17 -0.05 0.28 -0.69 0.00 0.00 174.62 174.33 1cg7 s THR 12 N 1.24 2.37 -0.08 -0.82 -1.32 -1.26 -5.08 115.64 110.69 1cg7 s THR 12 Ca -0.03 -1.76 -0.26 0.00 -1.21 0.00 0.00 61.69 58.42 1cg7 s THR 12 Cb -0.17 -2.48 0.06 0.00 -1.51 0.00 0.00 72.50 68.40 1cg7 s THR 12 CO -0.08 -0.19 0.60 -0.60 -2.21 0.00 0.00 174.62 172.14 1cg7 s ARG 13 N 1.08 0.92 0.00 7.08 3.52 -1.26 -5.03 118.95 125.27 1cg7 s ARG 13 Ca -0.03 0.29 0.00 0.00 -0.13 0.00 0.00 55.73 55.85 1cg7 s ARG 13 Cb -0.20 0.43 0.00 0.00 -1.56 0.00 0.00 34.95 33.63 1cg7 s ARG 13 CO -0.05 -0.26 0.00 0.36 -0.81 0.00 0.00 175.30 174.54 1cg7 n LYS 14 N 1.32 0.00 -4.26 5.12 -0.00 -1.26 -5.14 118.16 113.93 1cg7 n LYS 14 Ca -0.19 0.00 -0.15 0.00 -0.00 0.00 0.00 58.31 57.98 1cg7 n LYS 14 Cb 0.57 0.00 -0.10 0.00 -0.00 0.00 0.00 35.03 35.50 1cg7 n LYS 14 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1cg7 s LYS 15 N 0.00 1.10 -0.07 -1.58 2.36 -1.26 -5.16 119.74 115.13 1cg7 s LYS 15 Ca 0.00 -1.47 -0.31 0.00 -2.55 0.00 0.00 55.97 51.65 1cg7 s LYS 15 Cb 0.00 -0.71 0.12 0.00 -1.05 0.00 0.00 37.83 36.19 1cg7 s LYS 15 CO 0.00 0.09 0.99 0.21 1.55 0.00 0.00 175.35 178.20 1cg7 s LYS 16 N -3.70 0.65 0.13 4.03 2.20 -1.26 -5.17 119.74 116.61 1cg7 s LYS 16 Ca 0.17 -0.20 0.02 0.00 -0.36 0.00 0.00 55.97 55.60 1cg7 s LYS 16 Cb 0.02 0.30 -0.04 0.00 -1.51 0.00 0.00 37.83 36.60 1cg7 s LYS 16 CO 0.02 -0.28 0.25 -0.51 -0.36 0.00 0.00 175.35 174.47 1cg7 s ASP 17 N -2.25 6.27 0.00 1.43 1.11 -1.26 -5.12 116.67 116.85 1cg7 s ASP 17 Ca 0.06 0.17 0.00 0.00 0.18 0.00 0.00 52.55 52.95 1cg7 s ASP 17 Cb -0.01 -1.88 0.00 0.00 1.07 0.00 0.00 42.92 42.10 1cg7 s ASP 17 CO -0.07 0.08 0.00 -0.81 1.18 0.00 0.00 175.17 175.55 1cg7 n PRO 18 N -0.32 1.25 -3.65 8.23 -0.04 -1.26 -4.63 135.00 134.58 1cg7 n PRO 18 Ca -0.07 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.14 1cg7 n PRO 18 Cb 0.53 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 34.00 1cg7 n PRO 18 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1cg7 n ASN 19 N 0.00 -4.52 -3.51 3.54 5.03 -1.26 -4.90 115.26 109.63 1cg7 n ASN 19 Ca 0.00 -0.79 -0.10 0.00 0.87 0.00 0.00 54.58 54.56 1cg7 n ASN 19 Cb 0.00 -1.47 -0.03 0.00 -1.02 0.00 0.00 39.78 37.26 1cg7 n ASN 19 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1cg7 s ALA 20 N -2.65 -1.82 0.94 5.41 0.00 -1.26 -3.34 121.76 119.04 1cg7 s ALA 20 Ca 0.06 1.12 -0.13 0.00 0.00 0.00 0.00 51.96 53.01 1cg7 s ALA 20 Cb -0.01 0.17 0.15 0.00 0.00 0.00 0.00 23.12 23.44 1cg7 s ALA 20 CO 0.83 -0.58 1.15 -1.25 0.00 0.00 0.00 175.76 175.91 1cg7 s PRO 21 N -2.54 0.92 -0.51 0.00 0.04 -1.26 -4.91 135.00 126.73 1cg7 s PRO 21 Ca 0.01 0.21 -0.06 0.00 0.04 0.00 0.00 61.00 61.20 1cg7 s PRO 21 Cb -0.01 -1.82 -0.09 0.00 0.04 0.00 0.00 34.50 32.62 1cg7 s PRO 21 CO -0.05 -2.33 3.11 1.17 0.04 0.00 0.00 177.00 178.94 1cg7 n LYS 22 N -3.84 2.64 -3.32 4.56 4.81 -1.26 -4.80 118.16 116.95 1cg7 n LYS 22 Ca 0.08 -1.90 -0.17 0.00 -0.87 0.00 0.00 58.31 55.45 1cg7 n LYS 22 Cb 0.59 -2.22 0.02 0.00 0.02 0.00 0.00 35.03 33.44 1cg7 n LYS 22 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1cg7 n ARG 23 N 1.97 -1.02 -1.35 1.64 5.12 -1.26 -4.77 116.66 116.98 1cg7 n ARG 23 Ca 0.52 1.08 -0.38 0.00 -1.93 0.00 0.00 57.85 57.14 1cg7 n ARG 23 Cb 0.63 -1.49 0.04 0.00 -1.16 0.00 0.00 32.46 30.48 1cg7 n ARG 23 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1cg7 n ALA 24 N 0.64 -1.78 -2.52 7.54 0.00 -1.26 -4.99 120.51 118.14 1cg7 n ALA 24 Ca -0.04 -0.12 -0.26 0.00 0.00 0.00 0.00 53.44 53.03 1cg7 n ALA 24 Cb 0.58 -1.73 -0.09 0.00 0.00 0.00 0.00 19.45 18.21 1cg7 n ALA 24 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1cg7 s LEU 25 N 1.56 3.00 0.32 0.00 1.02 -1.26 -5.13 118.68 118.19 1cg7 s LEU 25 Ca 0.64 -1.14 -0.09 0.00 0.02 0.00 0.00 54.13 53.56 1cg7 s LEU 25 Cb -0.42 -1.25 -0.07 0.00 0.02 0.00 0.00 46.19 44.48 1cg7 s LEU 25 CO 0.59 -0.42 0.65 -0.44 0.02 0.00 0.00 176.35 176.75 1cg7 s SER 26 N -3.79 6.56 0.55 2.29 0.01 -1.26 -4.92 113.70 113.15 1cg7 s SER 26 Ca 0.37 0.99 0.43 0.00 1.31 0.00 0.00 55.95 59.05 1cg7 s SER 26 Cb 0.04 -2.26 1.63 0.00 0.21 0.00 0.00 66.02 65.65 1cg7 s SER 26 CO 0.20 -0.24 1.69 0.00 0.41 0.00 0.00 173.24 175.31 1cg7 h ALA 27 N 1.83 3.46 -0.50 1.44 0.00 -1.92 1.54 119.26 125.10 1cg7 h ALA 27 Ca -0.47 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.29 1cg7 h ALA 27 Cb 1.18 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 1cg7 h ALA 27 CO 0.66 -1.91 -0.03 -0.92 0.00 0.00 0.00 179.25 177.05 1cg7 h TYR 28 N 0.00 1.00 -0.18 0.00 3.20 -1.97 -2.70 116.97 116.32 1cg7 h TYR 28 Ca 0.73 -0.19 -0.05 0.00 3.14 0.00 0.00 58.73 62.36 1cg7 h TYR 28 Cb 2.95 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 40.95 1cg7 h TYR 28 CO 0.00 0.94 -0.13 0.52 -1.64 0.00 0.00 178.16 177.86 1cg7 h MET 29 N 0.78 0.29 0.09 1.82 2.86 0.18 0.24 114.93 121.19 1cg7 h MET 29 Ca 0.14 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1cg7 h MET 29 Cb 0.57 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.19 1cg7 h MET 29 CO 0.03 0.42 -0.04 0.74 1.06 0.00 0.00 176.91 179.12 1cg7 h PHE 30 N 0.27 -0.11 0.00 -0.22 0.04 -1.14 1.43 116.94 117.22 1cg7 h PHE 30 Ca 0.05 -0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.79 1cg7 h PHE 30 Cb 0.40 0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.58 1cg7 h PHE 30 CO 0.01 0.10 -0.17 0.35 -0.60 0.00 0.00 178.31 178.00 1cg7 h PHE 31 N -0.32 0.00 0.00 -0.55 3.57 -1.31 -3.26 116.94 115.08 1cg7 h PHE 31 Ca -0.01 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.44 1cg7 h PHE 31 Cb 0.27 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 1cg7 h PHE 31 CO -0.01 0.17 -0.25 0.00 -2.23 0.00 0.00 178.31 176.00 1cg7 h ALA 32 N 1.83 0.05 -1.43 2.41 0.00 -0.29 0.10 119.26 121.92 1cg7 h ALA 32 Ca -0.00 -0.58 0.42 0.00 0.00 0.00 0.00 54.91 54.74 1cg7 h ALA 32 Cb 0.90 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.78 1cg7 h ALA 32 CO 0.02 0.14 1.19 -0.91 0.00 0.00 0.00 179.25 179.70 1cg7 h ASN 33 N -1.00 0.00 0.04 0.00 -0.26 0.19 1.77 115.58 116.32 1cg7 h ASN 33 Ca -0.06 0.00 -0.38 0.00 -0.56 0.00 0.00 56.30 55.30 1cg7 h ASN 33 Cb 0.94 0.00 -0.06 0.00 -1.06 0.00 0.00 38.32 38.14 1cg7 h ASN 33 CO -0.04 0.00 -2.37 1.21 -1.06 0.00 0.00 177.43 175.17 1cg7 n GLU 34 N -3.74 0.67 -0.75 0.81 2.13 -1.23 -4.23 120.64 114.29 1cg7 n GLU 34 Ca 0.32 0.12 -0.12 0.00 0.66 0.00 0.00 57.16 58.13 1cg7 n GLU 34 Cb 1.63 -1.55 0.14 0.00 0.27 0.00 0.00 31.44 31.93 1cg7 n GLU 34 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1cg7 n ASN 35 N -3.11 3.57 0.02 4.31 5.03 0.37 -3.91 115.26 121.54 1cg7 n ASN 35 Ca -0.39 -2.96 0.11 0.00 0.87 0.00 0.00 54.58 52.21 1cg7 n ASN 35 Cb 1.05 -0.70 0.11 0.00 -1.02 0.00 0.00 39.78 39.22 1cg7 n ASN 35 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29 1cg7 n ARG 36 N -0.41 0.13 -0.00 3.52 3.00 0.51 -3.94 116.66 119.48 1cg7 n ARG 36 Ca 0.35 0.01 0.02 0.00 -0.00 0.00 0.00 57.85 58.23 1cg7 n ARG 36 Cb 1.19 -1.55 -0.03 0.00 0.00 0.00 0.00 32.46 32.08 1cg7 n ARG 36 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1cg7 n ASP 37 N -1.72 0.73 0.04 6.15 9.92 -1.25 -4.11 116.55 126.31 1cg7 n ASP 37 Ca 0.04 -0.52 -0.09 0.00 -0.53 0.00 0.00 54.79 53.69 1cg7 n ASP 37 Cb 0.38 1.03 0.06 0.00 -0.64 0.00 0.00 41.12 41.94 1cg7 n ASP 37 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 1cg7 h ILE 38 N 0.00 1.36 0.10 0.53 2.04 -1.76 -0.73 117.51 119.06 1cg7 h ILE 38 Ca 0.00 -1.99 -0.23 0.00 1.00 0.00 0.00 64.86 63.64 1cg7 h ILE 38 Cb 0.12 1.97 -0.00 0.00 -0.74 0.00 0.00 36.82 38.17 1cg7 h ILE 38 CO 0.00 0.60 -1.16 0.58 0.00 0.00 0.00 178.15 178.17 1cg7 h VAL 39 N 0.31 1.18 -0.35 1.67 2.07 -1.80 -3.26 116.25 116.07 1cg7 h VAL 39 Ca -0.01 -2.40 0.04 0.00 0.82 0.00 0.00 66.70 65.15 1cg7 h VAL 39 Cb 1.19 2.82 -0.02 0.00 -1.52 0.00 0.00 31.29 33.77 1cg7 h VAL 39 CO 0.11 0.66 0.23 0.08 0.02 0.00 0.00 177.57 178.68 1cg7 h ARG 40 N -0.44 0.29 -0.53 1.57 0.11 -1.71 0.48 114.38 114.15 1cg7 h ARG 40 Ca -0.25 -0.02 -0.08 0.00 0.10 0.00 0.00 59.98 59.73 1cg7 h ARG 40 Cb 1.63 -0.07 -0.02 0.00 1.11 0.00 0.00 29.97 32.62 1cg7 h ARG 40 CO 0.05 0.19 0.00 1.03 0.10 0.00 0.00 179.97 181.34 1cg7 h SER 41 N 0.30 0.86 0.55 0.08 0.87 -1.22 0.64 113.55 115.63 1cg7 h SER 41 Ca 0.15 -0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1cg7 h SER 41 Cb 0.21 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 61.94 1cg7 h SER 41 CO -0.03 0.92 -0.41 -0.62 -0.53 0.00 0.00 176.83 176.16 1cg7 n GLU 42 N -4.20 0.06 -3.07 2.24 -0.58 -0.18 -4.25 120.64 110.66 1cg7 n GLU 42 Ca 0.03 -0.03 -0.17 0.00 -0.42 0.00 0.00 57.16 56.57 1cg7 n GLU 42 Cb 0.32 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 29.68 1cg7 n GLU 42 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1cg7 n ASN 43 N -1.44 -0.17 0.00 1.62 3.02 0.15 -4.92 115.26 113.52 1cg7 n ASN 43 Ca 0.06 -3.09 0.12 0.00 -0.03 0.00 0.00 54.58 51.64 1cg7 n ASN 43 Cb 0.34 0.02 0.67 0.00 -0.61 0.00 0.00 39.78 40.20 1cg7 n ASN 43 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1cg7 n PRO 44 N 0.64 0.62 0.04 3.52 -0.04 0.22 -2.06 135.00 137.94 1cg7 n PRO 44 Ca 0.20 0.02 0.12 0.00 -0.04 0.00 0.00 63.50 63.80 1cg7 n PRO 44 Cb 0.64 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.79 1cg7 n PRO 44 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1cg7 n ASP 45 N -1.09 0.61 -1.42 3.54 2.03 -1.26 -4.90 116.55 114.06 1cg7 n ASP 45 Ca 0.16 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.47 1cg7 n ASP 45 Cb 0.11 0.21 0.00 0.00 -0.72 0.00 0.00 41.12 40.72 1cg7 n ASP 45 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1cg7 n ILE 46 N -1.91 0.00 -3.82 5.18 -5.35 -0.87 -5.17 119.36 107.42 1cg7 n ILE 46 Ca 0.04 0.00 -0.10 0.00 -0.27 0.00 0.00 62.75 62.42 1cg7 n ILE 46 Cb 0.41 -0.30 0.01 0.00 -1.74 0.00 0.00 39.64 38.02 1cg7 n ILE 46 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1cg7 n THR 47 N -0.21 0.00 -0.47 7.28 -2.24 -1.26 -4.99 114.28 112.38 1cg7 n THR 47 Ca 0.00 -1.13 0.42 0.00 -2.27 0.00 0.00 64.05 61.06 1cg7 n THR 47 Cb 0.00 0.95 0.66 0.00 -2.10 0.00 0.00 70.33 69.84 1cg7 n THR 47 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1cg7 h PHE 48 N 1.92 0.00 -0.92 4.78 3.57 -1.97 0.32 116.94 124.65 1cg7 h PHE 48 Ca -0.29 0.00 0.26 0.00 3.53 0.00 0.00 57.97 61.46 1cg7 h PHE 48 Cb 1.13 0.00 -0.16 0.00 2.79 0.00 0.00 35.95 39.71 1cg7 h PHE 48 CO 0.00 0.00 0.15 0.78 -2.23 0.00 0.00 178.31 177.01 1cg7 h GLY 49 N 0.00 1.32 0.00 2.40 0.00 -1.98 0.21 103.07 105.02 1cg7 h GLY 49 Ca 0.72 0.05 0.00 0.00 0.00 0.00 0.00 47.33 48.11 1cg7 h GLY 49 CO -0.01 -0.45 0.00 0.61 0.00 0.00 0.00 176.54 176.69 1cg7 n GLN 50 N -5.35 -0.45 -0.09 4.80 0.00 0.85 -4.52 117.38 112.63 1cg7 n GLN 50 Ca 0.22 -0.36 -0.20 0.00 0.00 0.00 0.00 57.00 56.66 1cg7 n GLN 50 Cb 0.74 -0.85 -0.12 0.00 0.00 0.00 0.00 30.24 30.00 1cg7 n GLN 50 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1cg7 h VAL 51 N 0.23 1.08 0.00 -0.39 2.07 -0.14 -3.19 116.25 115.90 1cg7 h VAL 51 Ca 0.00 -2.23 0.00 0.00 0.82 0.00 0.00 66.70 65.29 1cg7 h VAL 51 Cb 0.11 2.48 0.00 0.00 -1.52 0.00 0.00 31.29 32.36 1cg7 h VAL 51 CO 0.00 0.41 0.00 0.61 0.02 0.00 0.00 177.57 178.61 1cg7 n GLY 52 N 1.51 -1.30 1.20 2.17 0.00 0.01 -1.32 105.19 107.45 1cg7 n GLY 52 Ca -0.28 -0.01 0.09 0.00 0.00 0.00 0.00 46.02 45.82 1cg7 n GLY 52 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1cg7 n LYS 53 N -1.88 3.20 0.00 1.61 5.02 -1.24 -4.40 118.16 120.47 1cg7 n LYS 53 Ca 0.04 -2.61 0.00 0.00 -2.02 0.00 0.00 58.31 53.72 1cg7 n LYS 53 Cb 0.26 -1.65 0.00 0.00 -0.02 0.00 0.00 35.03 33.62 1cg7 n LYS 53 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1cg7 n LYS 54 N 0.88 0.00 -0.33 1.97 4.76 -0.80 -4.72 118.16 119.93 1cg7 n LYS 54 Ca 0.21 0.00 0.19 0.00 -2.87 0.00 0.00 58.31 55.84 1cg7 n LYS 54 Cb 0.71 -0.73 0.40 0.00 -1.84 0.00 0.00 35.03 33.57 1cg7 n LYS 54 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1cg7 h LEU 55 N 0.00 0.49 -1.66 -0.35 3.38 -1.41 1.06 115.31 116.82 1cg7 h LEU 55 Ca 0.00 0.17 0.25 0.00 0.09 0.00 0.00 57.88 58.39 1cg7 h LEU 55 Cb 0.82 0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.62 1cg7 h LEU 55 CO 0.00 -0.04 0.65 1.23 0.09 0.00 0.00 178.44 180.37 1cg7 h GLY 56 N 0.41 0.62 2.00 0.83 0.00 -1.84 1.08 103.07 106.17 1cg7 h GLY 56 Ca 0.66 -0.12 -0.08 0.00 0.00 0.00 0.00 47.33 47.79 1cg7 h GLY 56 CO -0.56 -0.04 -0.38 0.83 0.00 0.00 0.00 176.54 176.40 1cg7 h GLU 57 N 0.25 0.00 0.16 4.80 5.08 0.87 -2.35 114.58 123.38 1cg7 h GLU 57 Ca 0.50 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.57 1cg7 h GLU 57 Cb 1.51 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.78 1cg7 h GLU 57 CO -0.14 0.38 -1.31 0.87 -1.00 0.00 0.00 179.01 177.81 1cg7 h LYS 58 N 0.00 0.36 0.28 2.33 1.57 0.12 -1.43 116.57 119.80 1cg7 h LYS 58 Ca -0.00 -0.61 -0.01 0.00 -1.87 0.00 0.00 60.65 58.16 1cg7 h LYS 58 Cb 0.88 0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.41 1cg7 h LYS 58 CO 0.05 1.29 -0.13 2.35 -0.57 0.00 0.00 179.45 182.43 1cg7 h TRP 59 N 0.10 -0.35 0.00 -1.35 2.91 -0.77 1.60 115.95 118.10 1cg7 h TRP 59 Ca -0.17 -0.01 -0.05 0.00 1.13 0.00 0.00 58.89 59.79 1cg7 h TRP 59 Cb 2.02 0.11 -0.01 0.00 -0.51 0.00 0.00 29.16 30.78 1cg7 h TRP 59 CO 0.08 -0.20 -0.24 1.57 -1.03 0.00 0.00 178.44 178.62 1cg7 h LYS 60 N -0.40 0.00 -0.37 2.65 2.10 -1.51 0.02 116.57 119.06 1cg7 h LYS 60 Ca -0.04 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 1cg7 h LYS 60 Cb 0.30 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.63 1cg7 h LYS 60 CO 0.06 0.24 0.00 0.00 -2.00 0.00 0.00 179.45 177.75 1cg7 n ALA 61 N -2.40 2.45 1.41 0.07 0.00 -0.54 -3.81 120.51 117.69 1cg7 n ALA 61 Ca -0.02 -0.78 0.05 0.00 0.00 0.00 0.00 53.44 52.70 1cg7 n ALA 61 Cb 0.32 -0.98 0.20 0.00 0.00 0.00 0.00 19.45 18.99 1cg7 n ALA 61 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1cg7 n LEU 62 N 0.86 1.06 -1.21 0.00 7.94 0.54 -4.95 117.00 121.23 1cg7 n LEU 62 Ca 0.17 -0.51 0.10 0.00 -1.11 0.00 0.00 56.01 54.67 1cg7 n LEU 62 Cb 0.43 -0.11 -0.06 0.00 0.53 0.00 0.00 43.42 44.20 1cg7 n LEU 62 CO 0.13 0.25 -0.44 1.07 -1.11 0.00 0.00 177.39 177.29 1cg7 n THR 63 N 0.03 -0.90 1.50 1.96 5.66 -1.25 -2.86 114.28 118.42 1cg7 n THR 63 Ca 0.10 0.74 0.12 0.00 -3.05 0.00 0.00 64.05 61.95 1cg7 n THR 63 Cb 0.19 -1.13 0.69 0.00 -1.55 0.00 0.00 70.33 68.53 1cg7 n THR 63 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 1cg7 n PRO 64 N -3.72 0.75 0.08 1.09 -0.04 -1.26 -2.26 135.00 129.63 1cg7 n PRO 64 Ca -0.06 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.45 1cg7 n PRO 64 Cb 0.46 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.40 1cg7 n PRO 64 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1cg7 h GLU 65 N 0.00 0.00 0.00 0.54 4.39 -2.00 -2.38 114.58 115.13 1cg7 h GLU 65 Ca 0.00 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.38 1cg7 h GLU 65 Cb 0.00 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.59 1cg7 h GLU 65 CO 0.00 0.21 -2.31 0.39 -1.16 0.00 0.00 179.01 176.14 1cg7 n GLU 66 N -2.88 0.78 0.06 2.33 -0.58 -1.00 -4.34 120.64 115.02 1cg7 n GLU 66 Ca -0.05 -0.03 -0.10 0.00 -0.42 0.00 0.00 57.16 56.57 1cg7 n GLU 66 Cb 0.72 -1.50 -0.13 0.00 -0.57 0.00 0.00 31.44 29.96 1cg7 n GLU 66 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 1cg7 h LYS 67 N 0.00 0.08 -0.69 3.49 3.64 -1.58 -2.91 116.57 118.59 1cg7 h LYS 67 Ca -0.48 -0.13 0.10 0.00 -1.27 0.00 0.00 60.65 58.86 1cg7 h LYS 67 Cb 2.09 0.05 -0.12 0.00 -0.41 0.00 0.00 32.23 33.84 1cg7 h LYS 67 CO 0.03 0.99 -0.44 1.96 -2.27 0.00 0.00 179.45 179.71 1cg7 h GLN 68 N 0.02 -0.16 0.06 1.90 4.20 -1.62 1.61 115.11 121.12 1cg7 h GLN 68 Ca -0.09 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.62 1cg7 h GLN 68 Cb 1.87 0.04 0.00 0.00 0.30 0.00 0.00 27.48 29.68 1cg7 h GLN 68 CO 0.14 -0.11 -0.03 -1.00 -0.67 0.00 0.00 178.83 177.17 1cg7 h PRO 69 N -0.16 -0.08 -0.37 1.46 0.13 -1.79 -2.36 132.00 128.83 1cg7 h PRO 69 Ca 0.21 0.01 0.07 0.00 -0.87 0.00 0.00 66.00 65.41 1cg7 h PRO 69 Cb 0.55 0.02 -0.09 0.00 0.13 0.00 0.00 31.00 31.61 1cg7 h PRO 69 CO -0.76 0.51 -0.35 1.88 -0.23 0.00 0.00 178.00 179.04 1cg7 h TYR 70 N -0.83 -0.99 -0.64 1.56 0.05 -1.25 0.14 116.97 115.00 1cg7 h TYR 70 Ca -0.01 0.06 -0.00 0.00 0.05 0.00 0.00 58.73 58.83 1cg7 h TYR 70 Cb 0.63 0.49 -0.03 0.00 1.01 0.00 0.00 36.73 38.83 1cg7 h TYR 70 CO 0.14 -0.40 0.40 1.49 -1.05 0.00 0.00 178.16 178.74 1cg7 h GLU 71 N -0.29 0.86 -0.23 4.88 4.81 0.22 -0.04 114.58 124.80 1cg7 h GLU 71 Ca 0.15 -0.07 0.07 0.00 -0.13 0.00 0.00 59.36 59.38 1cg7 h GLU 71 Cb 0.55 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 1cg7 h GLU 71 CO -0.53 0.60 0.17 0.00 -0.73 0.00 0.00 179.01 178.52 1cg7 h ALA 72 N 1.56 2.17 0.07 2.92 0.00 -0.21 0.25 119.26 126.02 1cg7 h ALA 72 Ca 0.23 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.87 1cg7 h ALA 72 Cb -0.05 0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.76 1cg7 h ALA 72 CO -0.05 -0.28 -1.12 -0.22 0.00 0.00 0.00 179.25 177.58 1cg7 h LYS 73 N 0.00 0.44 0.00 0.00 1.63 0.30 -3.03 116.57 115.90 1cg7 h LYS 73 Ca 0.11 -0.57 0.00 0.00 -0.85 0.00 0.00 60.65 59.34 1cg7 h LYS 73 Cb 0.44 0.18 0.00 0.00 -0.60 0.00 0.00 32.23 32.26 1cg7 h LYS 73 CO -0.00 1.22 0.00 0.00 -3.45 0.00 0.00 179.45 177.22 1cg7 h ALA 74 N 0.56 1.00 0.00 5.00 0.00 -0.28 -2.24 119.26 123.30 1cg7 h ALA 74 Ca -0.13 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1cg7 h ALA 74 Cb 1.79 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.58 1cg7 h ALA 74 CO 0.20 0.00 -0.05 0.37 0.00 0.00 0.00 179.25 179.76 1cg7 h GLN 75 N 0.00 0.00 0.08 0.00 5.75 -0.52 -1.86 115.11 118.56 1cg7 h GLN 75 Ca 0.00 0.00 -0.13 0.00 -0.15 0.00 0.00 58.65 58.37 1cg7 h GLN 75 Cb 0.53 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.10 1cg7 h GLN 75 CO 0.00 0.05 -0.57 0.00 -2.65 0.00 0.00 178.83 175.66 1cg7 h ALA 76 N 1.95 -0.04 0.00 3.38 0.00 -1.45 -3.22 119.26 119.88 1cg7 h ALA 76 Ca -0.00 -0.62 -0.02 0.00 0.00 0.00 0.00 54.91 54.27 1cg7 h ALA 76 Cb 0.80 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1cg7 h ALA 76 CO 0.01 0.27 -0.12 0.22 0.00 0.00 0.00 179.25 179.63 1cg7 h ASP 77 N -0.47 0.00 0.59 0.00 1.82 -1.54 -1.46 116.42 115.35 1cg7 h ASP 77 Ca -0.10 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.51 1cg7 h ASP 77 Cb 1.41 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 41.42 1cg7 h ASP 77 CO 0.11 0.12 -0.16 0.50 -1.61 0.00 0.00 179.24 178.20 1cg7 h LYS 78 N 0.00 0.00 0.05 0.28 1.63 -1.34 -1.52 116.57 115.67 1cg7 h LYS 78 Ca -0.00 0.00 -0.26 0.00 -0.85 0.00 0.00 60.65 59.54 1cg7 h LYS 78 Cb 0.53 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.14 1cg7 h LYS 78 CO 0.02 0.16 -1.37 0.87 -3.45 0.00 0.00 179.45 175.67 1cg7 h LYS 79 N 0.00 0.11 -0.92 1.90 1.57 -1.31 -3.36 116.57 114.56 1cg7 h LYS 79 Ca -0.00 -0.19 0.17 0.00 -1.87 0.00 0.00 60.65 58.76 1cg7 h LYS 79 Cb 0.50 0.07 -0.08 0.00 0.08 0.00 0.00 32.23 32.80 1cg7 h LYS 79 CO 0.02 1.09 0.59 0.00 -0.57 0.00 0.00 179.45 180.58 1cg7 h ARG 80 N -0.62 0.62 0.00 3.15 3.08 -1.25 0.84 114.38 120.19 1cg7 h ARG 80 Ca -0.33 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.68 1cg7 h ARG 80 Cb 1.54 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.45 1cg7 h ARG 80 CO -0.08 0.41 0.00 0.98 -1.07 0.00 0.00 179.97 180.21 1cg7 n TYR 81 N -4.58 0.58 0.15 3.04 9.36 -0.58 -1.05 117.16 124.08 1cg7 n TYR 81 Ca 0.19 0.26 0.12 0.00 3.32 0.00 0.00 57.90 61.78 1cg7 n TYR 81 Cb 0.54 -0.91 0.01 0.00 -0.63 0.00 0.00 39.34 38.35 1cg7 n TYR 81 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 1cg7 n GLU 82 N -2.06 0.58 0.06 2.98 1.02 0.29 -2.51 120.64 120.99 1cg7 n GLU 82 Ca 0.01 0.12 -0.21 0.00 -0.02 0.00 0.00 57.16 57.06 1cg7 n GLU 82 Cb 0.14 -1.81 -0.15 0.00 -0.02 0.00 0.00 31.44 29.60 1cg7 n GLU 82 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1cg7 h SER 83 N 0.00 0.50 0.32 1.62 0.02 -0.87 -2.70 113.55 112.43 1cg7 h SER 83 Ca 0.00 -0.94 -0.19 0.00 -0.84 0.00 0.00 61.79 59.81 1cg7 h SER 83 Cb 0.97 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 63.35 1cg7 h SER 83 CO 0.00 1.44 -0.79 -0.33 -1.14 0.00 0.00 176.83 176.02 1cg7 h GLU 84 N -0.32 0.37 -0.38 3.45 3.07 -1.63 -3.07 114.58 116.07 1cg7 h GLU 84 Ca -0.17 -0.33 -0.07 0.00 -0.50 0.00 0.00 59.36 58.29 1cg7 h GLU 84 Cb 1.70 0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 29.67 1cg7 h GLU 84 CO 0.16 0.99 -0.07 -0.22 -1.40 0.00 0.00 179.01 178.47 1cg7 h LYS 85 N 0.24 0.64 -0.81 2.33 3.64 -1.60 -1.70 116.57 119.31 1cg7 h LYS 85 Ca -0.04 -0.18 0.09 0.00 -1.27 0.00 0.00 60.65 59.25 1cg7 h LYS 85 Cb 1.38 -0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 33.06 1cg7 h LYS 85 CO 0.13 0.71 0.46 1.49 -2.27 0.00 0.00 179.45 179.97 1cg7 h GLU 86 N 0.59 0.77 -0.02 1.90 4.22 -1.38 0.96 114.58 121.63 1cg7 h GLU 86 Ca 0.11 -0.05 -0.01 0.00 0.08 0.00 0.00 59.36 59.50 1cg7 h GLU 86 Cb 0.47 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 1cg7 h GLU 86 CO 0.02 0.51 -0.02 -0.07 -2.18 0.00 0.00 179.01 177.28 1cg7 h LEU 87 N 0.79 0.05 -0.38 1.64 4.07 -1.48 0.13 115.31 120.13 1cg7 h LEU 87 Ca 0.38 -0.50 0.04 0.00 0.08 0.00 0.00 57.88 57.89 1cg7 h LEU 87 Cb 0.32 -0.01 -0.04 0.00 1.08 0.00 0.00 40.66 42.00 1cg7 h LEU 87 CO -0.23 0.53 0.14 0.22 -1.08 0.00 0.00 178.44 178.02 1cg7 h TYR 88 N -0.44 0.25 -0.66 1.13 3.20 -0.68 0.57 116.97 120.34 1cg7 h TYR 88 Ca 0.00 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.83 1cg7 h TYR 88 Cb 0.52 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.71 1cg7 h TYR 88 CO 0.10 0.11 0.16 -0.97 -1.64 0.00 0.00 178.16 175.91 1cg7 h ASN 89 N 0.30 0.98 0.91 -2.11 -1.24 0.93 -0.96 115.58 114.39 1cg7 h ASN 89 Ca 0.17 -0.20 -0.02 0.00 0.71 0.00 0.00 56.30 56.97 1cg7 h ASN 89 Cb 0.14 -0.26 -0.00 0.00 0.73 0.00 0.00 38.32 38.93 1cg7 h ASN 89 CO -0.17 0.94 -0.10 0.00 -1.29 0.00 0.00 177.43 176.81 1cg7 h ALA 90 N 1.18 1.03 0.00 1.57 0.00 0.02 -2.09 119.26 120.98 1cg7 h ALA 90 Ca 0.21 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1cg7 h ALA 90 Cb 0.35 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1cg7 h ALA 90 CO 0.00 0.12 -0.32 1.15 0.00 0.00 0.00 179.25 180.20 1cg7 h THR 91 N 0.00 0.64 -3.37 0.00 2.02 0.15 -3.41 112.91 108.93 1cg7 h THR 91 Ca -0.00 -1.55 -0.62 0.00 0.77 0.00 0.00 66.41 65.00 1cg7 h THR 91 Cb 0.58 2.05 -0.37 0.00 -1.74 0.00 0.00 68.15 68.67 1cg7 h THR 91 CO 0.01 0.31 -0.82 -1.48 0.37 0.00 0.00 175.52 173.92 1cg7 s LEU 92 N -6.62 2.24 0.00 2.58 0.05 -0.78 -5.08 118.68 111.07 1cg7 s LEU 92 Ca 0.02 -0.83 0.00 0.00 0.05 0.00 0.00 54.13 53.37 1cg7 s LEU 92 Cb 0.09 -1.26 0.00 0.00 -2.05 0.00 0.00 46.19 42.96 1cg7 s LEU 92 CO 0.68 -0.12 0.00 0.00 -0.55 0.00 0.00 176.35 176.36