#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cg7 s VAL 2 N 0.00 1.81 -0.41 2.03 -7.23 -1.26 -5.12 120.40 110.23 1cg7 s VAL 2 Ca 0.00 -2.15 0.06 0.00 -1.81 0.00 0.00 61.98 58.08 1cg7 s VAL 2 Cb 0.00 -2.52 0.17 0.00 0.56 0.00 0.00 36.38 34.59 1cg7 s VAL 2 CO 0.00 -0.26 0.52 0.42 -0.31 0.00 0.00 175.10 175.47 1cg7 s THR 3 N -2.90 -0.63 0.77 5.32 -4.23 -1.26 -5.15 115.64 107.57 1cg7 s THR 3 Ca 0.31 -0.74 -0.11 0.00 -1.18 0.00 0.00 61.69 59.96 1cg7 s THR 3 Cb 0.03 -0.36 0.05 0.00 1.34 0.00 0.00 72.50 73.57 1cg7 s THR 3 CO 0.13 -0.33 1.09 -2.16 -0.54 0.00 0.00 174.62 172.81 1cg7 s PRO 4 N 1.40 2.29 -0.21 3.99 0.04 -1.26 -5.07 135.00 136.19 1cg7 s PRO 4 Ca 0.20 0.72 -0.36 0.00 0.04 0.00 0.00 61.00 61.60 1cg7 s PRO 4 Cb -0.08 -1.94 0.14 0.00 0.04 0.00 0.00 34.50 32.67 1cg7 s PRO 4 CO -0.06 -1.49 1.26 0.50 0.04 0.00 0.00 177.00 177.25 1cg7 s ARG 5 N -5.13 0.24 0.00 4.56 3.00 -1.26 -5.15 118.95 115.21 1cg7 s ARG 5 Ca 0.60 -0.09 0.00 0.00 -1.00 0.00 0.00 55.73 55.24 1cg7 s ARG 5 Cb -0.14 0.11 0.00 0.00 0.00 0.00 0.00 34.95 34.91 1cg7 s ARG 5 CO 0.54 -0.10 0.00 0.39 0.00 0.00 0.00 175.30 176.13 1cg7 n GLU 6 N -0.09 0.00 0.00 5.12 1.02 -1.26 -5.18 120.64 120.25 1cg7 n GLU 6 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 1cg7 n GLU 6 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.00 1cg7 n GLU 6 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1cg7 n PRO 7 N 0.00 -0.11 -3.46 3.49 -0.04 -1.26 -5.11 135.00 128.51 1cg7 n PRO 7 Ca 0.00 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.34 1cg7 n PRO 7 Cb 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.43 1cg7 n PRO 7 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1cg7 s LYS 8 N -2.23 1.14 -0.21 0.54 1.02 -1.26 -5.18 119.74 113.57 1cg7 s LYS 8 Ca 0.00 -0.30 -0.33 0.00 0.02 0.00 0.00 55.97 55.36 1cg7 s LYS 8 Cb 0.00 0.53 0.15 0.00 -0.52 0.00 0.00 37.83 37.99 1cg7 s LYS 8 CO 0.00 -0.47 1.22 -1.59 -0.92 0.00 0.00 175.35 173.58 1cg7 s LYS 9 N -3.14 0.28 0.00 1.68 0.00 -1.26 -5.19 119.74 112.12 1cg7 s LYS 9 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 55.97 55.92 1cg7 s LYS 9 Cb -0.01 0.13 0.00 0.00 0.00 0.00 0.00 37.83 37.95 1cg7 s LYS 9 CO -0.08 -0.11 0.00 -2.13 0.00 0.00 0.00 175.35 173.03 1cg7 n ARG 10 N 0.15 0.00 -3.72 1.78 0.63 -1.26 -5.19 116.66 109.05 1cg7 n ARG 10 Ca -0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 1cg7 n ARG 10 Cb 0.58 0.00 -0.00 0.00 0.45 0.00 0.00 32.46 33.49 1cg7 n ARG 10 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 1cg7 s THR 11 N -2.00 0.00 0.21 5.15 -1.32 -1.26 -5.19 115.64 111.23 1cg7 s THR 11 Ca 0.00 -0.33 -0.00 0.00 -1.21 0.00 0.00 61.69 60.15 1cg7 s THR 11 Cb 0.00 -2.22 -0.04 0.00 -1.51 0.00 0.00 72.50 68.73 1cg7 s THR 11 CO 0.00 0.00 0.11 -0.89 -2.21 0.00 0.00 174.62 171.63 1cg7 s THR 12 N -2.50 0.16 -0.30 5.08 2.01 -1.26 -5.15 115.64 113.67 1cg7 s THR 12 Ca 0.17 -1.99 -0.07 0.00 0.31 0.00 0.00 61.69 60.11 1cg7 s THR 12 Cb 0.02 -2.48 0.17 0.00 0.01 0.00 0.00 72.50 70.22 1cg7 s THR 12 CO -0.02 -0.05 0.73 -0.60 -0.69 0.00 0.00 174.62 174.00 1cg7 s ARG 13 N -4.11 0.47 0.15 4.92 6.06 -1.26 -5.16 118.95 120.02 1cg7 s ARG 13 Ca 0.37 0.97 0.09 0.00 -2.50 0.00 0.00 55.73 54.66 1cg7 s ARG 13 Cb 0.07 0.56 -0.04 0.00 0.06 0.00 0.00 34.95 35.60 1cg7 s ARG 13 CO 0.11 -0.39 -0.13 0.21 -2.50 0.00 0.00 175.30 172.61 1cg7 s LYS 14 N 2.83 1.96 0.21 5.12 2.47 -1.26 -5.14 119.74 125.93 1cg7 s LYS 14 Ca 0.08 -1.22 0.04 0.00 -1.56 0.00 0.00 55.97 53.31 1cg7 s LYS 14 Cb -0.12 -2.15 -0.01 0.00 -1.46 0.00 0.00 37.83 34.08 1cg7 s LYS 14 CO -0.18 0.46 0.14 1.63 0.16 0.00 0.00 175.35 177.56 1cg7 n LYS 15 N 0.38 0.37 -0.08 4.03 4.76 -1.26 -5.09 118.16 121.26 1cg7 n LYS 15 Ca -0.13 -1.96 -0.18 0.00 -2.87 0.00 0.00 58.31 53.18 1cg7 n LYS 15 Cb 0.54 1.45 -0.06 0.00 -1.84 0.00 0.00 35.03 35.13 1cg7 n LYS 15 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 1cg7 n LYS 16 N -0.41 0.35 -1.25 1.97 2.85 -1.26 -5.13 118.16 115.27 1cg7 n LYS 16 Ca 0.02 0.15 0.01 0.00 -1.05 0.00 0.00 58.31 57.44 1cg7 n LYS 16 Cb 0.35 -1.08 -0.00 0.00 -0.65 0.00 0.00 35.03 33.65 1cg7 n LYS 16 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1cg7 n ASP 17 N -3.73 -6.72 -3.25 -5.58 9.92 -1.26 -4.98 116.55 100.95 1cg7 n ASP 17 Ca -0.32 1.48 0.00 0.00 -0.53 0.00 0.00 54.79 55.42 1cg7 n ASP 17 Cb 0.73 -3.85 0.00 0.00 -0.64 0.00 0.00 41.12 37.36 1cg7 n ASP 17 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 1cg7 n PRO 18 N -2.47 1.05 -1.74 -0.24 -0.04 -1.26 -4.79 135.00 125.51 1cg7 n PRO 18 Ca -0.00 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.15 1cg7 n PRO 18 Cb 0.40 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.79 1cg7 n PRO 18 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1cg7 n ASN 19 N 0.00 2.64 -4.21 3.54 0.23 -1.26 -4.84 115.26 111.36 1cg7 n ASN 19 Ca 0.00 -2.66 -0.18 0.00 -0.53 0.00 0.00 54.58 51.21 1cg7 n ASN 19 Cb 0.00 -1.54 -0.11 0.00 -2.08 0.00 0.00 39.78 36.04 1cg7 n ASN 19 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1cg7 s ALA 20 N 10.37 1.36 0.20 -2.53 0.00 -1.26 -3.00 121.76 126.89 1cg7 s ALA 20 Ca 0.68 -1.20 -0.30 0.00 0.00 0.00 0.00 51.96 51.14 1cg7 s ALA 20 Cb 0.03 -0.07 -0.08 0.00 0.00 0.00 0.00 23.12 23.00 1cg7 s ALA 20 CO 0.15 0.10 1.11 -1.25 0.00 0.00 0.00 175.76 175.87 1cg7 s PRO 21 N -2.44 4.59 0.00 0.00 0.04 -1.26 -4.99 135.00 130.94 1cg7 s PRO 21 Ca 0.06 1.75 0.00 0.00 0.04 0.00 0.00 61.00 62.84 1cg7 s PRO 21 Cb -0.06 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 31.22 1cg7 s PRO 21 CO 0.02 0.08 0.73 1.17 0.04 0.00 0.00 177.00 179.04 1cg7 n LYS 22 N 2.19 0.00 0.00 4.56 3.00 -1.26 -4.89 118.16 121.76 1cg7 n LYS 22 Ca 0.02 0.38 0.00 0.00 -0.00 0.00 0.00 58.31 58.71 1cg7 n LYS 22 Cb 0.46 -1.23 0.00 0.00 0.00 0.00 0.00 35.03 34.26 1cg7 n LYS 22 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1cg7 n ARG 23 N -1.41 0.00 -1.47 1.64 3.00 -1.26 -5.09 116.66 112.08 1cg7 n ARG 23 Ca 0.00 0.00 -0.44 0.00 -0.00 0.00 0.00 57.85 57.41 1cg7 n ARG 23 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 32.46 32.33 1cg7 n ARG 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1cg7 n ALA 24 N 0.00 0.34 -0.68 5.13 0.00 -1.26 -4.82 120.51 119.22 1cg7 n ALA 24 Ca 0.00 -0.25 -0.32 0.00 0.00 0.00 0.00 53.44 52.86 1cg7 n ALA 24 Cb 0.00 -2.32 0.17 0.00 0.00 0.00 0.00 19.45 17.30 1cg7 n ALA 24 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1cg7 n LEU 25 N 10.46 -1.97 -4.92 0.00 4.77 -1.26 -4.98 117.00 119.10 1cg7 n LEU 25 Ca 0.61 -0.06 -0.31 0.00 -0.03 0.00 0.00 56.01 56.22 1cg7 n LEU 25 Cb 0.07 -1.01 -0.04 0.00 -2.33 0.00 0.00 43.42 40.11 1cg7 n LEU 25 CO 0.91 -3.17 -0.10 -0.44 -1.33 0.00 0.00 177.39 173.25 1cg7 s SER 26 N -1.89 6.39 0.57 -1.43 0.01 -1.26 -4.94 113.70 111.14 1cg7 s SER 26 Ca 0.57 0.34 0.45 0.00 1.31 0.00 0.00 55.95 58.62 1cg7 s SER 26 Cb -0.14 -1.99 1.59 0.00 0.21 0.00 0.00 66.02 65.69 1cg7 s SER 26 CO 0.66 0.14 1.56 0.00 0.41 0.00 0.00 173.24 176.01 1cg7 h ALA 27 N 2.98 3.63 -0.02 1.44 0.00 -1.91 1.36 119.26 126.74 1cg7 h ALA 27 Ca -0.45 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 1cg7 h ALA 27 Cb 1.16 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 1cg7 h ALA 27 CO 0.75 -2.21 0.00 -0.92 0.00 0.00 0.00 179.25 176.87 1cg7 h TYR 28 N 0.00 0.04 -0.77 0.00 3.20 -1.95 -2.62 116.97 114.87 1cg7 h TYR 28 Ca 0.82 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.78 1cg7 h TYR 28 Cb 3.45 -0.01 -0.05 0.00 1.54 0.00 0.00 36.73 41.66 1cg7 h TYR 28 CO 0.00 0.29 0.51 0.52 -1.64 0.00 0.00 178.16 177.84 1cg7 h MET 29 N -0.22 0.67 -0.30 1.82 2.86 0.14 0.53 114.93 120.44 1cg7 h MET 29 Ca 0.01 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1cg7 h MET 29 Cb 0.27 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 1cg7 h MET 29 CO 0.00 0.45 0.15 0.74 1.06 0.00 0.00 176.91 179.31 1cg7 h PHE 30 N 0.69 0.42 0.00 -0.22 0.04 -1.25 1.53 116.94 118.16 1cg7 h PHE 30 Ca 0.35 -0.02 -0.16 0.00 2.80 0.00 0.00 57.97 60.95 1cg7 h PHE 30 Cb 0.45 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.45 1cg7 h PHE 30 CO -0.00 0.37 -0.76 0.35 -0.60 0.00 0.00 178.31 177.67 1cg7 h PHE 31 N 0.35 0.00 0.07 -0.55 3.57 -0.93 -3.19 116.94 116.25 1cg7 h PHE 31 Ca 0.10 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.60 1cg7 h PHE 31 Cb 0.10 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.84 1cg7 h PHE 31 CO -0.02 0.76 -0.03 0.00 -2.23 0.00 0.00 178.31 176.79 1cg7 h ALA 32 N 1.24 -0.09 -1.19 2.41 0.00 0.31 0.58 119.26 122.51 1cg7 h ALA 32 Ca -0.01 -0.28 0.35 0.00 0.00 0.00 0.00 54.91 54.97 1cg7 h ALA 32 Cb 1.36 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.14 1cg7 h ALA 32 CO 0.10 -0.14 1.07 -0.91 0.00 0.00 0.00 179.25 179.37 1cg7 h ASN 33 N -0.91 0.00 0.03 0.00 -0.26 0.21 1.76 115.58 116.40 1cg7 h ASN 33 Ca -0.01 0.00 -0.38 0.00 -0.56 0.00 0.00 56.30 55.35 1cg7 h ASN 33 Cb 0.59 0.00 -0.06 0.00 -1.06 0.00 0.00 38.32 37.78 1cg7 h ASN 33 CO 0.02 0.00 -2.40 1.21 -1.06 0.00 0.00 177.43 175.20 1cg7 n GLU 34 N -3.67 0.67 -0.86 0.81 2.13 -1.20 -4.27 120.64 114.25 1cg7 n GLU 34 Ca 0.26 0.13 -0.17 0.00 0.66 0.00 0.00 57.16 58.04 1cg7 n GLU 34 Cb 1.45 -1.54 0.12 0.00 0.27 0.00 0.00 31.44 31.73 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 -3.17 3.65 0.04 4.31 5.03 0.26 -4.02 115.26 121.37 1cg7 n ASN 35 Ca -0.41 -3.13 0.12 0.00 0.87 0.00 0.00 54.58 52.03 1cg7 n ASN 35 Cb 1.03 -0.75 0.15 0.00 -1.02 0.00 0.00 39.78 39.20 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 -0.63 0.24 0.00 3.52 3.00 0.53 -3.85 116.66 119.48 1cg7 n ARG 36 Ca 0.42 0.05 0.01 0.00 -0.00 0.00 0.00 57.85 58.33 1cg7 n ARG 36 Cb 1.29 -1.63 -0.02 0.00 0.00 0.00 0.00 32.46 32.10 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 -1.98 0.21 0.06 6.15 9.92 -1.26 -4.16 116.55 125.49 1cg7 n ASP 37 Ca 0.03 -0.60 -0.08 0.00 -0.53 0.00 0.00 54.79 53.61 1cg7 n ASP 37 Cb 0.42 0.95 0.05 0.00 -0.64 0.00 0.00 41.12 41.90 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 0.03 1.40 0.07 0.53 2.04 -1.77 -1.16 117.51 118.65 1cg7 h ILE 38 Ca 0.00 -2.16 -0.20 0.00 1.00 0.00 0.00 64.86 63.49 1cg7 h ILE 38 Cb 0.08 2.13 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 1cg7 h ILE 38 CO 0.00 0.64 -1.04 0.58 0.00 0.00 0.00 178.15 178.33 1cg7 h VAL 39 N 0.22 1.20 -0.51 1.67 2.07 -1.80 -3.27 116.25 115.83 1cg7 h VAL 39 Ca -0.03 -2.35 0.08 0.00 0.82 0.00 0.00 66.70 65.22 1cg7 h VAL 39 Cb 1.28 2.78 -0.03 0.00 -1.52 0.00 0.00 31.29 33.80 1cg7 h VAL 39 CO 0.12 0.59 0.34 0.08 0.02 0.00 0.00 177.57 178.72 1cg7 h ARG 40 N -0.61 0.35 -0.55 1.57 0.11 -1.72 0.57 114.38 114.10 1cg7 h ARG 40 Ca -0.24 -0.02 -0.07 0.00 0.10 0.00 0.00 59.98 59.75 1cg7 h ARG 40 Cb 1.49 -0.08 -0.02 0.00 1.11 0.00 0.00 29.97 32.47 1cg7 h ARG 40 CO -0.01 0.23 0.06 1.03 0.10 0.00 0.00 179.97 181.38 1cg7 h SER 41 N 0.36 0.85 0.32 0.08 0.87 -1.31 0.77 113.55 115.48 1cg7 h SER 41 Ca 0.23 -0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1cg7 h SER 41 Cb 0.44 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 1cg7 h SER 41 CO -0.06 0.88 -0.35 -0.62 -0.53 0.00 0.00 176.83 176.15 1cg7 n GLU 42 N -4.23 0.55 -3.00 2.24 -0.58 0.06 -4.30 120.64 111.39 1cg7 n GLU 42 Ca 0.03 -0.33 -0.15 0.00 -0.42 0.00 0.00 57.16 56.30 1cg7 n GLU 42 Cb 0.28 -1.49 0.01 0.00 -0.57 0.00 0.00 31.44 29.67 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 -0.94 -0.67 0.00 1.62 3.02 0.18 -4.93 115.26 113.53 1cg7 n ASN 43 Ca 0.10 -3.21 0.12 0.00 -0.03 0.00 0.00 54.58 51.56 1cg7 n ASN 43 Cb 0.34 0.44 0.70 0.00 -0.61 0.00 0.00 39.78 40.65 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 0.65 0.75 0.03 3.52 -0.04 0.26 -2.04 135.00 138.12 1cg7 n PRO 44 Ca 0.17 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.74 1cg7 n PRO 44 Cb 0.65 -1.49 0.15 0.00 -0.04 0.00 0.00 33.50 32.77 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 -0.99 0.61 -4.70 3.54 -0.08 -1.26 -4.91 116.55 108.76 1cg7 n ASP 45 Ca 0.18 -0.15 -0.28 0.00 -1.51 0.00 0.00 54.79 53.03 1cg7 n ASP 45 Cb 0.08 0.40 -0.02 0.00 2.34 0.00 0.00 41.12 43.92 1cg7 n ASP 45 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 1cg7 n ILE 46 N -1.81 0.00 -4.21 5.18 -5.35 -0.87 -5.16 119.36 107.14 1cg7 n ILE 46 Ca 0.04 -2.19 -0.17 0.00 -0.27 0.00 0.00 62.75 60.16 1cg7 n ILE 46 Cb 0.39 0.14 -0.07 0.00 -1.74 0.00 0.00 39.64 38.36 1cg7 n ILE 46 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1cg7 s THR 47 N -2.70 0.00 0.58 7.28 -4.23 -1.26 -5.00 115.64 110.32 1cg7 s THR 47 Ca 0.20 -1.87 0.39 0.00 -1.18 0.00 0.00 61.69 59.22 1cg7 s THR 47 Cb -0.02 -2.53 0.57 0.00 1.34 0.00 0.00 72.50 71.86 1cg7 s THR 47 CO 0.13 0.00 1.47 0.15 -0.54 0.00 0.00 174.62 175.83 1cg7 h PHE 48 N 2.21 0.00 -0.89 3.99 3.04 -1.98 0.41 116.94 123.73 1cg7 h PHE 48 Ca -0.28 0.00 0.24 0.00 3.98 0.00 0.00 57.97 61.91 1cg7 h PHE 48 Cb 1.24 0.00 -0.15 0.00 2.56 0.00 0.00 35.95 39.60 1cg7 h PHE 48 CO 1.41 0.00 0.21 0.78 -2.02 0.00 0.00 178.31 178.69 1cg7 h GLY 49 N 0.00 1.35 0.00 2.40 0.00 -1.98 0.09 103.07 104.93 1cg7 h GLY 49 Ca 0.70 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 48.02 1cg7 h GLY 49 CO -0.01 -0.39 0.00 0.61 0.00 0.00 0.00 176.54 176.75 1cg7 n GLN 50 N -5.26 0.47 -0.09 4.80 0.00 0.11 -4.50 117.38 112.91 1cg7 n GLN 50 Ca 0.22 -0.33 -0.19 0.00 0.00 0.00 0.00 57.00 56.70 1cg7 n GLN 50 Cb 0.70 -0.81 -0.12 0.00 0.00 0.00 0.00 30.24 30.01 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 0.15 1.23 0.00 -0.39 2.07 -0.09 -3.11 116.25 116.12 1cg7 h VAL 51 Ca 0.00 -2.24 0.00 0.00 0.82 0.00 0.00 66.70 65.28 1cg7 h VAL 51 Cb 0.08 2.65 0.00 0.00 -1.52 0.00 0.00 31.29 32.50 1cg7 h VAL 51 CO 0.00 0.42 0.00 0.61 0.02 0.00 0.00 177.57 178.62 1cg7 n GLY 52 N 1.50 -1.35 1.22 2.17 0.00 -0.03 -1.62 105.19 107.08 1cg7 n GLY 52 Ca -0.24 0.05 0.08 0.00 0.00 0.00 0.00 46.02 45.91 1cg7 n GLY 52 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1cg7 n LYS 53 N -2.17 3.33 0.00 1.61 0.00 -1.24 -4.36 118.16 115.32 1cg7 n LYS 53 Ca 0.03 -2.67 0.00 0.00 0.00 0.00 0.00 58.31 55.67 1cg7 n LYS 53 Cb 0.27 -1.71 0.00 0.00 0.00 0.00 0.00 35.03 33.59 1cg7 n LYS 53 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1cg7 n LYS 54 N 0.72 0.00 -0.32 1.64 4.76 -0.75 -4.67 118.16 119.54 1cg7 n LYS 54 Ca 0.21 0.00 0.22 0.00 -2.87 0.00 0.00 58.31 55.88 1cg7 n LYS 54 Cb 0.76 -0.90 0.50 0.00 -1.84 0.00 0.00 35.03 33.55 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 0.46 -2.00 -0.35 3.38 -1.50 0.88 115.31 116.17 1cg7 h LEU 55 Ca 0.00 0.08 0.18 0.00 0.09 0.00 0.00 57.88 58.23 1cg7 h LEU 55 Cb 0.95 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 1cg7 h LEU 55 CO 0.00 0.10 0.47 1.23 0.09 0.00 0.00 178.44 180.32 1cg7 h GLY 56 N 0.41 0.00 2.00 0.83 0.00 -1.83 0.66 103.07 105.14 1cg7 h GLY 56 Ca 0.59 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.75 1cg7 h GLY 56 CO -0.29 0.00 -0.82 0.83 0.00 0.00 0.00 176.54 176.26 1cg7 h GLU 57 N 0.00 0.00 0.15 4.80 5.08 0.49 -2.72 114.58 122.38 1cg7 h GLU 57 Ca 0.29 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.37 1cg7 h GLU 57 Cb 1.23 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.49 1cg7 h GLU 57 CO -0.00 0.82 -1.27 0.87 -1.00 0.00 0.00 179.01 178.42 1cg7 h LYS 58 N 0.00 0.36 0.33 2.33 1.57 0.21 -1.14 116.57 120.23 1cg7 h LYS 58 Ca -0.01 -0.59 -0.02 0.00 -1.87 0.00 0.00 60.65 58.17 1cg7 h LYS 58 Cb 1.56 0.21 0.00 0.00 0.08 0.00 0.00 32.23 34.09 1cg7 h LYS 58 CO 0.11 1.27 -0.16 2.35 -0.57 0.00 0.00 179.45 182.45 1cg7 h TRP 59 N 0.11 -0.41 0.00 -1.35 2.91 -0.32 1.47 115.95 118.36 1cg7 h TRP 59 Ca -0.16 -0.01 -0.03 0.00 1.13 0.00 0.00 58.89 59.82 1cg7 h TRP 59 Cb 1.98 0.14 -0.00 0.00 -0.51 0.00 0.00 29.16 30.76 1cg7 h TRP 59 CO 0.08 -0.22 -0.15 1.57 -1.03 0.00 0.00 178.44 178.69 1cg7 h LYS 60 N -0.49 0.00 -0.34 2.65 2.10 -1.57 -0.19 116.57 118.73 1cg7 h LYS 60 Ca -0.05 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 1cg7 h LYS 60 Cb 0.37 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.70 1cg7 h LYS 60 CO 0.07 0.15 0.00 0.00 -2.00 0.00 0.00 179.45 177.67 1cg7 n ALA 61 N -2.24 2.45 1.81 0.07 0.00 -0.43 -3.91 120.51 118.26 1cg7 n ALA 61 Ca -0.01 -0.82 0.07 0.00 0.00 0.00 0.00 53.44 52.68 1cg7 n ALA 61 Cb 0.30 -0.96 0.36 0.00 0.00 0.00 0.00 19.45 19.15 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 1.01 0.38 -1.06 0.00 7.94 0.49 -4.95 117.00 120.82 1cg7 n LEU 62 Ca 0.18 -0.17 0.12 0.00 -1.11 0.00 0.00 56.01 55.03 1cg7 n LEU 62 Cb 0.48 -0.03 -0.04 0.00 0.53 0.00 0.00 43.42 44.36 1cg7 n LEU 62 CO 0.14 0.09 -0.26 0.41 -1.11 0.00 0.00 177.39 176.65 1cg7 n THR 63 N -0.46 0.00 1.28 1.96 -1.04 -1.25 -2.05 114.28 112.72 1cg7 n THR 63 Ca 0.11 0.25 0.12 0.00 -2.04 0.00 0.00 64.05 62.48 1cg7 n THR 63 Cb 0.10 -0.56 0.64 0.00 -1.82 0.00 0.00 70.33 68.70 1cg7 n THR 63 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1cg7 n PRO 64 N -3.33 0.53 0.15 -2.82 -0.04 -1.26 -0.94 135.00 127.29 1cg7 n PRO 64 Ca -0.02 0.04 0.08 0.00 -0.04 0.00 0.00 63.50 63.56 1cg7 n PRO 64 Cb 0.61 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.64 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 5.08 -2.00 -2.59 114.58 115.61 1cg7 h GLU 65 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1cg7 h GLU 65 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1cg7 h GLU 65 CO 0.00 0.14 -0.17 0.39 -1.00 0.00 0.00 179.01 178.37 1cg7 n GLU 66 N -3.00 5.81 -0.01 2.33 -0.58 -0.87 -4.46 120.64 119.87 1cg7 n GLU 66 Ca 0.01 -0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.72 1cg7 n GLU 66 Cb 0.61 -0.60 -0.11 0.00 -0.57 0.00 0.00 31.44 30.77 1cg7 n GLU 66 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 1cg7 n LYS 67 N -1.09 0.64 0.08 3.49 -0.00 -0.12 -3.12 118.16 118.05 1cg7 n LYS 67 Ca 0.00 0.18 -0.08 0.00 -0.00 0.00 0.00 58.31 58.41 1cg7 n LYS 67 Cb 0.01 -1.74 0.03 0.00 -0.00 0.00 0.00 35.03 33.33 1cg7 n LYS 67 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.40 176.84 1cg7 h GLN 68 N 0.00 0.21 0.12 -1.58 3.07 -1.68 -0.84 115.11 114.41 1cg7 h GLN 68 Ca -0.25 -0.20 -0.01 0.00 0.09 0.00 0.00 58.65 58.29 1cg7 h GLN 68 Cb 1.76 0.05 0.00 0.00 0.08 0.00 0.00 27.48 29.37 1cg7 h GLN 68 CO 0.05 0.90 -0.06 -1.00 0.09 0.00 0.00 178.83 178.81 1cg7 h PRO 69 N 0.13 -0.16 -0.15 0.06 0.13 -1.78 -1.90 132.00 128.33 1cg7 h PRO 69 Ca -0.03 0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1cg7 h PRO 69 Cb 1.39 0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.55 1cg7 h PRO 69 CO 0.12 0.29 0.08 1.88 -0.23 0.00 0.00 178.00 180.15 1cg7 h TYR 70 N -0.91 0.20 -0.32 1.56 0.05 -1.65 -2.00 116.97 113.90 1cg7 h TYR 70 Ca -0.02 -0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.76 1cg7 h TYR 70 Cb 0.52 -0.06 -0.02 0.00 1.01 0.00 0.00 36.73 38.18 1cg7 h TYR 70 CO 0.10 0.19 0.18 1.49 -1.05 0.00 0.00 178.16 179.08 1cg7 h GLU 71 N 0.15 0.43 -0.29 4.88 4.81 -1.28 0.69 114.58 123.97 1cg7 h GLU 71 Ca 0.05 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.19 1cg7 h GLU 71 Cb 0.06 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 1cg7 h GLU 71 CO -0.01 0.31 -0.09 0.00 -0.73 0.00 0.00 179.01 178.49 1cg7 h ALA 72 N 1.77 1.31 0.04 2.92 0.00 -0.75 0.21 119.26 124.75 1cg7 h ALA 72 Ca 0.12 -0.24 -0.25 0.00 0.00 0.00 0.00 54.91 54.53 1cg7 h ALA 72 Cb -0.00 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.66 1cg7 h ALA 72 CO -0.02 0.46 -1.05 -0.22 0.00 0.00 0.00 179.25 178.42 1cg7 h LYS 73 N 0.45 0.45 0.00 0.00 3.64 -0.36 -2.98 116.57 117.77 1cg7 h LYS 73 Ca 0.09 -0.54 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1cg7 h LYS 73 Cb 0.43 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 1cg7 h LYS 73 CO 0.02 1.19 0.00 0.00 -2.27 0.00 0.00 179.45 178.39 1cg7 h ALA 74 N 0.61 1.00 0.00 5.00 0.00 -0.41 -2.34 119.26 123.12 1cg7 h ALA 74 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1cg7 h ALA 74 Cb 1.71 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.50 1cg7 h ALA 74 CO 0.19 0.00 0.00 0.37 0.00 0.00 0.00 179.25 179.81 1cg7 h GLN 75 N 0.00 0.00 0.08 0.00 5.75 -0.44 -2.92 115.11 117.58 1cg7 h GLN 75 Ca 0.00 0.00 -0.21 0.00 -0.15 0.00 0.00 58.65 58.29 1cg7 h GLN 75 Cb 0.53 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.08 1cg7 h GLN 75 CO 0.00 0.00 -1.08 0.00 -2.65 0.00 0.00 178.83 175.10 1cg7 h ALA 76 N 2.12 0.13 -0.02 3.38 0.00 -1.47 -3.29 119.26 120.11 1cg7 h ALA 76 Ca 0.00 -0.96 0.01 0.00 0.00 0.00 0.00 54.91 53.95 1cg7 h ALA 76 Cb 0.73 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 1cg7 h ALA 76 CO 0.00 0.61 0.06 0.22 0.00 0.00 0.00 179.25 180.14 1cg7 h ASP 77 N -0.54 0.00 0.22 0.00 1.82 -1.54 0.28 116.42 116.66 1cg7 h ASP 77 Ca -0.24 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.38 1cg7 h ASP 77 Cb 1.55 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 41.55 1cg7 h ASP 77 CO 0.01 0.00 -0.11 0.50 -1.61 0.00 0.00 179.24 178.04 1cg7 h LYS 78 N 0.00 0.00 0.15 0.28 1.63 -1.58 -0.12 116.57 116.94 1cg7 h LYS 78 Ca 0.01 0.00 -0.34 0.00 -0.85 0.00 0.00 60.65 59.47 1cg7 h LYS 78 Cb 0.13 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.76 1cg7 h LYS 78 CO -0.00 0.11 -1.74 -0.22 -3.45 0.00 0.00 179.45 174.15 1cg7 h LYS 79 N 0.00 0.32 -0.56 1.90 1.63 -0.61 -3.35 116.57 115.91 1cg7 h LYS 79 Ca -0.00 -0.55 0.01 0.00 -0.85 0.00 0.00 60.65 59.26 1cg7 h LYS 79 Cb 0.24 0.21 -0.03 0.00 -0.60 0.00 0.00 32.23 32.05 1cg7 h LYS 79 CO 0.01 1.22 0.36 0.00 -3.45 0.00 0.00 179.45 177.59 1cg7 h ARG 80 N 0.09 0.70 0.00 1.90 3.08 -1.11 -0.22 114.38 118.82 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 2.07 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 31.96 1cg7 h ARG 80 CO 0.16 0.47 0.15 -0.92 -1.07 0.00 0.00 179.97 178.75 1cg7 h TYR 81 N 0.72 0.00 0.00 3.04 3.20 -1.18 0.75 116.97 123.51 1cg7 h TYR 81 Ca 0.21 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.08 1cg7 h TYR 81 Cb -0.04 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.23 1cg7 h TYR 81 CO -0.04 0.00 -0.63 0.93 -1.64 0.00 0.00 178.16 176.77 1cg7 h GLU 82 N 0.00 0.00 -0.14 1.82 5.08 -1.17 -2.93 114.58 117.24 1cg7 h GLU 82 Ca 0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 1cg7 h GLU 82 Cb 0.29 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.55 1cg7 h GLU 82 CO 0.00 0.00 -0.67 0.77 -1.00 0.00 0.00 179.01 178.11 1cg7 h SER 83 N 0.00 0.84 1.77 1.42 0.02 0.65 -2.18 113.55 116.07 1cg7 h SER 83 Ca 0.00 -0.63 0.00 0.00 -0.84 0.00 0.00 61.79 60.32 1cg7 h SER 83 Cb 0.95 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.24 1cg7 h SER 83 CO 0.00 1.33 -0.09 -0.33 -1.14 0.00 0.00 176.83 176.60 1cg7 h GLU 84 N 0.40 0.00 0.00 3.45 5.08 -1.63 -3.15 114.58 118.73 1cg7 h GLU 84 Ca -0.04 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.13 1cg7 h GLU 84 Cb 1.31 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.53 1cg7 h GLU 84 CO 0.14 0.00 -0.89 -0.22 -1.00 0.00 0.00 179.01 177.04 1cg7 h LYS 85 N 0.00 0.01 0.06 2.33 3.64 -1.43 -2.67 116.57 118.50 1cg7 h LYS 85 Ca 0.00 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1cg7 h LYS 85 Cb 0.93 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 1cg7 h LYS 85 CO 0.00 0.90 -0.03 0.93 -2.27 0.00 0.00 179.45 178.98 1cg7 h GLU 86 N 0.00 -0.08 -0.11 1.90 5.08 -1.34 0.43 114.58 120.47 1cg7 h GLU 86 Ca -0.01 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1cg7 h GLU 86 Cb 1.58 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.84 1cg7 h GLU 86 CO 0.12 -0.03 0.04 -0.07 -1.00 0.00 0.00 179.01 178.06 1cg7 h LEU 87 N -0.10 0.15 -0.32 1.33 -0.00 -1.65 0.04 115.31 114.76 1cg7 h LEU 87 Ca -0.01 -0.19 0.06 0.00 -0.00 0.00 0.00 57.88 57.74 1cg7 h LEU 87 Cb 0.08 -0.04 -0.05 0.00 -0.00 0.00 0.00 40.66 40.64 1cg7 h LEU 87 CO 0.01 0.30 -0.02 0.22 -0.00 0.00 0.00 178.44 178.96 1cg7 h TYR 88 N -0.00 -0.05 0.00 1.13 3.20 -1.29 0.97 116.97 120.93 1cg7 h TYR 88 Ca 0.04 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.90 1cg7 h TYR 88 Cb 0.20 0.07 -0.00 0.00 1.54 0.00 0.00 36.73 38.53 1cg7 h TYR 88 CO -0.01 -0.07 -0.16 -0.97 -1.64 0.00 0.00 178.16 175.31 1cg7 h ASN 89 N 0.07 0.00 0.91 -2.11 -1.24 0.01 0.63 115.58 113.86 1cg7 h ASN 89 Ca 0.15 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 57.14 1cg7 h ASN 89 Cb 0.21 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.26 1cg7 h ASN 89 CO -0.27 0.16 -0.13 0.00 -1.29 0.00 0.00 177.43 175.90 1cg7 h ALA 90 N 1.84 1.03 0.00 1.57 0.00 0.12 -2.02 119.26 121.81 1cg7 h ALA 90 Ca -0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1cg7 h ALA 90 Cb 0.29 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1cg7 h ALA 90 CO 0.02 0.16 -0.13 1.15 0.00 0.00 0.00 179.25 180.45 1cg7 h THR 91 N 0.00 0.04 -3.86 0.00 2.02 0.59 -3.46 112.91 108.25 1cg7 h THR 91 Ca -0.00 -1.06 -0.44 0.00 0.77 0.00 0.00 66.41 65.68 1cg7 h THR 91 Cb 0.62 1.97 0.16 0.00 -1.74 0.00 0.00 68.15 69.16 1cg7 h THR 91 CO 0.02 0.02 0.22 -0.76 0.37 0.00 0.00 175.52 175.39 1cg7 s LEU 92 N -6.13 1.50 0.00 2.58 2.01 -0.76 -5.11 118.68 112.77 1cg7 s LEU 92 Ca 0.06 0.84 0.00 0.00 0.01 0.00 0.00 54.13 55.04 1cg7 s LEU 92 Cb 0.06 -2.89 0.00 0.00 0.01 0.00 0.00 46.19 43.37 1cg7 s LEU 92 CO 0.69 -3.29 0.00 0.00 1.01 0.00 0.00 176.35 174.76