#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 0.00 0.47 2.03 0.11 -1.26 -5.15 120.40 116.60 1cg7 s VAL 2 Ca 0.00 0.00 -0.21 0.00 -2.93 0.00 0.00 61.98 58.84 1cg7 s VAL 2 Cb 0.00 -1.00 -0.10 0.00 -1.53 0.00 0.00 36.38 33.75 1cg7 s VAL 2 CO 0.00 0.00 0.70 0.41 -3.33 0.00 0.00 175.10 172.88 1cg7 n THR 3 N 0.45 2.22 -1.53 5.04 -1.04 -1.26 -4.96 114.28 113.21 1cg7 n THR 3 Ca -0.13 -0.50 -0.29 0.00 -2.04 0.00 0.00 64.05 61.09 1cg7 n THR 3 Cb 0.59 -0.78 0.16 0.00 -1.82 0.00 0.00 70.33 68.48 1cg7 n THR 3 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1cg7 s PRO 4 N -1.91 0.66 0.38 -2.82 0.04 -1.26 -5.10 135.00 125.00 1cg7 s PRO 4 Ca 0.66 0.11 0.04 0.00 0.04 0.00 0.00 61.00 61.85 1cg7 s PRO 4 Cb -0.54 -1.80 -0.02 0.00 0.04 0.00 0.00 34.50 32.19 1cg7 s PRO 4 CO 0.56 -2.49 0.16 2.89 0.04 0.00 0.00 177.00 178.16 1cg7 n ARG 5 N -3.93 0.56 -2.74 4.56 1.85 -1.26 -5.01 116.66 110.69 1cg7 n ARG 5 Ca 0.09 -3.30 -0.01 0.00 -1.00 0.00 0.00 57.85 53.63 1cg7 n ARG 5 Cb 0.59 1.95 0.00 0.00 -1.05 0.00 0.00 32.46 33.95 1cg7 n ARG 5 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 1cg7 n GLU 6 N -0.84 -3.39 -1.51 2.89 0.00 -1.26 -5.01 120.64 111.52 1cg7 n GLU 6 Ca -0.03 2.73 -0.30 0.00 0.00 0.00 0.00 57.16 59.56 1cg7 n GLU 6 Cb 0.59 -5.42 0.23 0.00 0.00 0.00 0.00 31.44 26.83 1cg7 n GLU 6 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.13 175.88 1cg7 s PRO 7 N -1.74 -0.56 1.15 5.31 0.04 -1.26 -5.02 135.00 132.92 1cg7 s PRO 7 Ca 0.03 -0.35 -0.17 0.00 0.04 0.00 0.00 61.00 60.55 1cg7 s PRO 7 Cb -0.01 -1.70 0.17 0.00 0.04 0.00 0.00 34.50 33.00 1cg7 s PRO 7 CO 0.78 -3.23 0.28 0.36 0.04 0.00 0.00 177.00 175.23 1cg7 n LYS 8 N -4.35 -1.97 -4.41 4.56 2.85 -1.26 -5.04 118.16 108.54 1cg7 n LYS 8 Ca 0.16 -0.56 -0.21 0.00 -1.05 0.00 0.00 58.31 56.65 1cg7 n LYS 8 Cb 0.59 -1.82 -0.09 0.00 -0.65 0.00 0.00 35.03 33.06 1cg7 n LYS 8 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1cg7 s LYS 9 N -3.71 1.71 0.44 -1.58 -0.14 -1.26 -5.17 119.74 110.03 1cg7 s LYS 9 Ca 0.59 -1.99 0.08 0.00 -1.36 0.00 0.00 55.97 53.29 1cg7 s LYS 9 Cb -0.15 -0.37 0.01 0.00 -1.68 0.00 0.00 37.83 35.63 1cg7 s LYS 9 CO 0.66 -0.42 0.50 1.03 -0.76 0.00 0.00 175.35 176.36 1cg7 s ARG 10 N -3.80 2.61 0.38 1.68 0.52 -1.26 -5.07 118.95 114.01 1cg7 s ARG 10 Ca 0.32 -1.46 -0.28 0.00 -0.52 0.00 0.00 55.73 53.79 1cg7 s ARG 10 Cb 0.05 -2.54 -0.11 0.00 0.52 0.00 0.00 34.95 32.87 1cg7 s ARG 10 CO 0.16 -0.32 1.46 0.99 0.02 0.00 0.00 175.30 177.61 1cg7 s THR 11 N -2.46 2.14 0.42 0.02 2.01 -1.26 -5.02 115.64 111.49 1cg7 s THR 11 Ca 0.51 0.14 0.07 0.00 0.31 0.00 0.00 61.69 62.72 1cg7 s THR 11 Cb -0.06 -3.09 -0.07 0.00 0.01 0.00 0.00 72.50 69.29 1cg7 s THR 11 CO 0.31 0.03 0.06 0.28 -0.69 0.00 0.00 174.62 174.61 1cg7 s THR 12 N -1.14 2.04 0.56 -0.82 -1.32 -1.26 -5.06 115.64 108.64 1cg7 s THR 12 Ca 0.53 -1.91 0.00 0.00 -1.21 0.00 0.00 61.69 59.11 1cg7 s THR 12 Cb -0.45 -2.94 0.00 0.00 -1.51 0.00 0.00 72.50 67.59 1cg7 s THR 12 CO 0.61 0.00 0.00 0.54 -2.21 0.00 0.00 174.62 173.56 1cg7 n ARG 13 N -1.07 -3.21 -3.52 7.08 1.74 -1.26 -5.05 116.66 111.37 1cg7 n ARG 13 Ca -0.05 2.59 -0.17 0.00 -0.77 0.00 0.00 57.85 59.46 1cg7 n ARG 13 Cb 0.66 -3.57 -0.06 0.00 -1.02 0.00 0.00 32.46 28.48 1cg7 n ARG 13 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 1cg7 s LYS 14 N -4.47 1.04 1.33 5.56 0.00 -1.26 -5.17 119.74 116.78 1cg7 s LYS 14 Ca 0.00 0.18 -0.18 0.00 0.00 0.00 0.00 55.97 55.97 1cg7 s LYS 14 Cb 0.00 0.49 0.34 0.00 0.00 0.00 0.00 37.83 38.66 1cg7 s LYS 14 CO 0.00 -0.34 0.92 1.63 0.00 0.00 0.00 175.35 177.56 1cg7 n LYS 15 N 0.77 -3.68 -4.35 1.78 4.01 -1.26 -5.05 118.16 110.39 1cg7 n LYS 15 Ca -0.18 -1.07 -0.30 0.00 -0.51 0.00 0.00 58.31 56.25 1cg7 n LYS 15 Cb 0.58 -2.03 -0.05 0.00 -0.51 0.00 0.00 35.03 33.02 1cg7 n LYS 15 CO 0.00 0.00 0.00 -1.59 -1.11 0.00 0.00 177.40 174.70 1cg7 s LYS 16 N -4.66 2.22 -0.07 1.97 -2.85 -1.26 -5.14 119.74 109.95 1cg7 s LYS 16 Ca 0.68 -2.21 0.04 0.00 -1.00 0.00 0.00 55.97 53.48 1cg7 s LYS 16 Cb -0.19 -1.80 -0.02 0.00 -2.06 0.00 0.00 37.83 33.76 1cg7 s LYS 16 CO 0.62 -0.46 -0.19 0.16 0.10 0.00 0.00 175.35 175.57 1cg7 s ASP 17 N -4.06 3.59 0.00 0.03 -4.77 -1.26 -5.13 116.67 105.07 1cg7 s ASP 17 Ca 0.20 -0.36 0.00 0.00 -3.30 0.00 0.00 52.55 49.08 1cg7 s ASP 17 Cb 0.00 -0.96 0.00 0.00 -1.09 0.00 0.00 42.92 40.88 1cg7 s ASP 17 CO 0.12 0.27 0.00 -0.81 0.70 0.00 0.00 175.17 175.45 1cg7 n PRO 18 N 2.80 1.02 -1.57 2.11 -0.04 -1.26 -4.77 135.00 133.28 1cg7 n PRO 18 Ca -0.17 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 62.99 1cg7 n PRO 18 Cb 0.52 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.90 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 2.27 -4.37 3.54 0.23 -1.26 -4.84 115.26 110.83 1cg7 n ASN 19 Ca 0.00 -2.62 -0.20 0.00 -0.53 0.00 0.00 54.58 51.23 1cg7 n ASN 19 Cb 0.00 -1.47 -0.10 0.00 -2.08 0.00 0.00 39.78 36.13 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 11.08 2.15 0.86 -2.53 0.00 -1.26 -2.64 121.76 129.42 1cg7 s ALA 20 Ca 0.70 -1.68 -0.12 0.00 0.00 0.00 0.00 51.96 50.86 1cg7 s ALA 20 Cb 0.03 -0.13 0.10 0.00 0.00 0.00 0.00 23.12 23.12 1cg7 s ALA 20 CO 0.17 0.13 1.12 -1.25 0.00 0.00 0.00 175.76 175.93 1cg7 s PRO 21 N -3.49 1.60 -0.91 0.00 0.04 -1.26 -4.97 135.00 126.00 1cg7 s PRO 21 Ca 0.23 0.46 -0.01 0.00 0.04 0.00 0.00 61.00 61.73 1cg7 s PRO 21 Cb -0.02 -1.88 0.33 0.00 0.04 0.00 0.00 34.50 32.98 1cg7 s PRO 21 CO 0.08 -1.92 1.79 1.17 0.04 0.00 0.00 177.00 178.16 1cg7 n LYS 22 N -3.61 4.38 -2.69 4.56 4.81 -1.26 -4.92 118.16 119.44 1cg7 n LYS 22 Ca 0.07 -4.33 -0.04 0.00 -0.87 0.00 0.00 58.31 53.13 1cg7 n LYS 22 Cb 0.58 -2.38 0.00 0.00 0.02 0.00 0.00 35.03 33.25 1cg7 n LYS 22 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46 1cg7 n ARG 23 N -0.24 -0.39 -1.66 1.64 1.85 -1.26 -4.51 116.66 112.10 1cg7 n ARG 23 Ca 0.47 0.68 -0.64 0.00 -1.00 0.00 0.00 57.85 57.36 1cg7 n ARG 23 Cb 0.28 -0.88 -0.09 0.00 -1.05 0.00 0.00 32.46 30.71 1cg7 n ARG 23 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1cg7 n ALA 24 N 0.95 -2.15 -1.90 2.89 0.00 -1.26 -4.90 120.51 114.13 1cg7 n ALA 24 Ca -0.01 0.53 -0.29 0.00 0.00 0.00 0.00 53.44 53.68 1cg7 n ALA 24 Cb 0.42 -1.87 0.08 0.00 0.00 0.00 0.00 19.45 18.08 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 1.89 2.60 0.14 0.00 1.43 -1.26 -5.07 118.68 118.41 1cg7 s LEU 25 Ca 0.99 0.78 0.01 0.00 -1.03 0.00 0.00 54.13 54.89 1cg7 s LEU 25 Cb -1.40 -3.34 -0.04 0.00 0.03 0.00 0.00 46.19 41.45 1cg7 s LEU 25 CO 0.72 -1.78 0.30 -0.44 0.23 0.00 0.00 176.35 175.37 1cg7 s SER 26 N -4.54 6.36 0.56 2.29 0.01 -1.26 -4.94 113.70 112.19 1cg7 s SER 26 Ca 0.61 0.27 0.45 0.00 1.31 0.00 0.00 55.95 58.59 1cg7 s SER 26 Cb -0.11 -1.95 1.63 0.00 0.21 0.00 0.00 66.02 65.80 1cg7 s SER 26 CO 0.49 0.06 1.64 0.00 0.41 0.00 0.00 173.24 175.83 1cg7 h ALA 27 N 2.36 3.56 -0.23 1.44 0.00 -1.91 1.47 119.26 125.96 1cg7 h ALA 27 Ca -0.47 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.33 1cg7 h ALA 27 Cb 1.18 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1cg7 h ALA 27 CO 0.70 -2.07 -0.04 -0.92 0.00 0.00 0.00 179.25 176.92 1cg7 h TYR 28 N 0.00 0.48 0.00 0.00 3.20 -1.96 -2.60 116.97 116.09 1cg7 h TYR 28 Ca 0.78 -0.10 -0.05 0.00 3.14 0.00 0.00 58.73 62.50 1cg7 h TYR 28 Cb 3.22 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 41.36 1cg7 h TYR 28 CO 0.00 0.65 -0.25 0.52 -1.64 0.00 0.00 178.16 177.45 1cg7 h MET 29 N 0.17 0.00 -0.28 1.82 2.86 0.16 0.14 114.93 119.81 1cg7 h MET 29 Ca 0.06 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.64 1cg7 h MET 29 Cb 0.49 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.14 1cg7 h MET 29 CO 0.02 0.25 -0.04 0.74 1.06 0.00 0.00 176.91 178.94 1cg7 h PHE 30 N 0.00 0.58 0.00 -0.22 -1.00 -0.95 0.49 116.94 115.84 1cg7 h PHE 30 Ca -0.00 -0.12 -0.18 0.00 2.81 0.00 0.00 57.97 60.49 1cg7 h PHE 30 Cb 0.60 -0.14 -0.03 0.00 3.61 0.00 0.00 35.95 39.99 1cg7 h PHE 30 CO 0.00 0.70 -0.94 0.35 -1.61 0.00 0.00 178.31 176.81 1cg7 h PHE 31 N 0.28 0.00 -0.03 -0.55 3.57 -1.28 -3.33 116.94 115.61 1cg7 h PHE 31 Ca 0.07 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.48 1cg7 h PHE 31 Cb 0.50 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.25 1cg7 h PHE 31 CO 0.05 0.77 -0.35 0.00 -2.23 0.00 0.00 178.31 176.54 1cg7 h ALA 32 N 1.23 0.08 -1.41 2.41 0.00 -0.67 0.43 119.26 121.33 1cg7 h ALA 32 Ca -0.06 -0.48 0.41 0.00 0.00 0.00 0.00 54.91 54.79 1cg7 h ALA 32 Cb 1.63 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 19.38 1cg7 h ALA 32 CO 0.09 0.17 1.14 -0.91 0.00 0.00 0.00 179.25 179.75 1cg7 h ASN 33 N -0.29 0.00 0.00 0.00 -0.26 -0.11 1.56 115.58 116.48 1cg7 h ASN 33 Ca -0.04 0.00 -0.29 0.00 -0.56 0.00 0.00 56.30 55.42 1cg7 h ASN 33 Cb 1.05 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 38.26 1cg7 h ASN 33 CO 0.07 0.00 -2.08 1.21 -1.06 0.00 0.00 177.43 175.57 1cg7 n GLU 34 N -3.80 1.28 -0.79 0.81 0.00 -1.16 -4.36 120.64 112.62 1cg7 n GLU 34 Ca 0.31 0.01 -0.12 0.00 0.00 0.00 0.00 57.16 57.36 1cg7 n GLU 34 Cb 1.58 -1.40 0.15 0.00 0.00 0.00 0.00 31.44 31.77 1cg7 n GLU 34 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1cg7 n ASN 35 N -2.67 3.64 -0.59 4.31 5.03 0.26 -3.88 115.26 121.37 1cg7 n ASN 35 Ca -0.27 -3.00 0.12 0.00 0.87 0.00 0.00 54.58 52.30 1cg7 n ASN 35 Cb 0.98 -0.71 0.07 0.00 -1.02 0.00 0.00 39.78 39.11 1cg7 n ASN 35 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1cg7 n ARG 36 N -0.41 1.47 -0.04 3.52 5.12 0.46 -4.16 116.66 122.62 1cg7 n ARG 36 Ca 0.36 -1.18 -0.05 0.00 -1.93 0.00 0.00 57.85 55.05 1cg7 n ARG 36 Cb 1.22 -1.48 -0.06 0.00 -1.16 0.00 0.00 32.46 30.98 1cg7 n ARG 36 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1cg7 n ASP 37 N 0.27 3.07 -0.32 0.55 9.92 -1.25 -3.83 116.55 124.96 1cg7 n ASP 37 Ca 0.11 -0.01 0.02 0.00 -0.53 0.00 0.00 54.79 54.38 1cg7 n ASP 37 Cb 0.49 0.50 0.16 0.00 -0.64 0.00 0.00 41.12 41.62 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 1.01 0.19 0.53 5.03 -1.77 0.12 117.51 122.62 1cg7 h ILE 38 Ca -0.22 -0.34 -0.26 0.00 -0.12 0.00 0.00 64.86 63.92 1cg7 h ILE 38 Cb 1.46 -0.05 0.03 0.00 -3.03 0.00 0.00 36.82 35.23 1cg7 h ILE 38 CO 0.00 0.18 -1.18 0.58 -0.68 0.00 0.00 178.15 177.05 1cg7 h VAL 39 N 0.98 1.36 -0.68 1.67 2.07 -1.81 -3.24 116.25 116.59 1cg7 h VAL 39 Ca 0.40 -2.60 0.20 0.00 0.82 0.00 0.00 66.70 65.52 1cg7 h VAL 39 Cb 0.24 3.09 -0.03 0.00 -1.52 0.00 0.00 31.29 33.07 1cg7 h VAL 39 CO -0.20 0.76 0.51 -0.09 0.02 0.00 0.00 177.57 178.58 1cg7 h ARG 40 N -0.13 0.00 0.00 1.57 2.43 -1.51 1.62 114.38 118.36 1cg7 h ARG 40 Ca -0.21 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.96 1cg7 h ARG 40 Cb 1.90 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.45 1cg7 h ARG 40 CO 0.20 0.00 0.00 1.03 -1.51 0.00 0.00 179.97 179.69 1cg7 h SER 41 N 0.00 0.00 0.00 -3.80 0.87 -0.82 -1.68 113.55 108.12 1cg7 h SER 41 Ca 0.32 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.88 1cg7 h SER 41 Cb 1.35 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.31 1cg7 h SER 41 CO -0.00 0.00 -1.40 -0.62 -0.53 0.00 0.00 176.83 174.27 1cg7 n GLU 42 N -2.77 0.70 -3.17 2.24 1.02 0.49 -4.56 120.64 114.59 1cg7 n GLU 42 Ca 0.04 -0.09 -0.19 0.00 -0.02 0.00 0.00 57.16 56.90 1cg7 n GLU 42 Cb 0.44 -1.42 -0.03 0.00 -0.02 0.00 0.00 31.44 30.40 1cg7 n GLU 42 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1cg7 n ASN 43 N -1.82 1.07 0.00 1.62 0.23 0.23 -4.89 115.26 111.69 1cg7 n ASN 43 Ca -0.00 -3.05 0.11 0.00 -0.53 0.00 0.00 54.58 51.11 1cg7 n ASN 43 Cb 0.40 -0.62 0.63 0.00 -2.08 0.00 0.00 39.78 38.11 1cg7 n ASN 43 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 1cg7 n PRO 44 N 0.29 0.75 0.03 -0.53 -0.04 -0.64 -1.98 135.00 132.87 1cg7 n PRO 44 Ca 0.25 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.82 1cg7 n PRO 44 Cb 0.63 -1.44 -0.02 0.00 -0.04 0.00 0.00 33.50 32.63 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 -0.94 0.57 -3.84 3.54 -0.08 -1.26 -4.93 116.55 109.60 1cg7 n ASP 45 Ca 0.16 -0.19 -0.12 0.00 -1.51 0.00 0.00 54.79 53.12 1cg7 n ASP 45 Cb 0.07 0.98 0.04 0.00 2.34 0.00 0.00 41.12 44.55 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 -2.04 0.00 -3.76 5.18 -5.35 -0.84 -5.14 119.36 107.41 1cg7 n ILE 46 Ca 0.01 -1.21 0.00 0.00 -0.27 0.00 0.00 62.75 61.28 1cg7 n ILE 46 Cb 0.46 -0.71 0.00 0.00 -1.74 0.00 0.00 39.64 37.65 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 -1.81 0.00 0.22 7.28 -2.24 -1.26 -5.01 114.28 111.46 1cg7 n THR 47 Ca 0.10 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.98 1cg7 n THR 47 Cb 0.38 0.00 0.46 0.00 -2.10 0.00 0.00 70.33 69.07 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 0.76 0.00 0.00 4.78 3.57 -1.98 -0.46 116.94 123.61 1cg7 h PHE 48 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1cg7 h PHE 48 Cb 0.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.74 1cg7 h PHE 48 CO 0.00 0.23 0.00 0.41 -2.23 0.00 0.00 178.31 176.72 1cg7 n GLY 49 N 0.11 -1.30 0.00 2.40 0.00 -1.26 -1.93 105.19 103.20 1cg7 n GLY 49 Ca -0.00 -0.09 0.01 0.00 0.00 0.00 0.00 46.02 45.95 1cg7 n GLY 49 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1cg7 n GLN 50 N -1.48 4.80 -0.05 1.61 6.02 -0.88 -4.35 117.38 123.06 1cg7 n GLN 50 Ca 0.06 -0.01 -0.21 0.00 -0.01 0.00 0.00 57.00 56.84 1cg7 n GLN 50 Cb 0.27 -0.72 -0.13 0.00 1.02 0.00 0.00 30.24 30.68 1cg7 n GLN 50 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1cg7 h VAL 51 N 0.00 1.06 0.00 5.09 2.07 -0.96 -3.28 116.25 120.23 1cg7 h VAL 51 Ca 0.00 -2.29 0.00 0.00 0.82 0.00 0.00 66.70 65.23 1cg7 h VAL 51 Cb 0.08 2.58 0.00 0.00 -1.52 0.00 0.00 31.29 32.43 1cg7 h VAL 51 CO 0.00 0.53 0.00 0.61 0.02 0.00 0.00 177.57 178.73 1cg7 n GLY 52 N 1.60 -1.05 1.08 2.17 0.00 -0.81 -1.23 105.19 106.95 1cg7 n GLY 52 Ca -0.26 -0.10 0.11 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.33 2.41 0.00 1.61 4.81 -1.25 -4.28 118.16 120.14 1cg7 n LYS 53 Ca 0.09 -2.19 0.00 0.00 -0.87 0.00 0.00 58.31 55.34 1cg7 n LYS 53 Cb 0.19 -1.49 0.00 0.00 0.02 0.00 0.00 35.03 33.75 1cg7 n LYS 53 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1cg7 n LYS 54 N 1.41 0.00 -0.34 1.64 4.81 -0.78 -4.69 118.16 120.21 1cg7 n LYS 54 Ca 0.18 0.00 0.22 0.00 -0.87 0.00 0.00 58.31 57.84 1cg7 n LYS 54 Cb 0.59 -0.80 0.45 0.00 0.02 0.00 0.00 35.03 35.29 1cg7 n LYS 54 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1cg7 h LEU 55 N 0.00 0.56 -1.87 3.14 3.38 -1.37 0.98 115.31 120.13 1cg7 h LEU 55 Ca 0.00 0.15 0.31 0.00 0.09 0.00 0.00 57.88 58.42 1cg7 h LEU 55 Cb 0.95 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.71 1cg7 h LEU 55 CO 0.00 0.00 0.76 1.23 0.09 0.00 0.00 178.44 180.52 1cg7 h GLY 56 N 0.43 0.24 1.91 0.83 0.00 -1.83 1.21 103.07 105.86 1cg7 h GLY 56 Ca 0.68 -0.04 -0.14 0.00 0.00 0.00 0.00 47.33 47.83 1cg7 h GLY 56 CO -0.49 -0.03 -0.62 0.83 0.00 0.00 0.00 176.54 176.24 1cg7 h GLU 57 N 0.08 0.09 0.02 4.80 5.08 0.71 -2.32 114.58 123.03 1cg7 h GLU 57 Ca 0.53 -0.06 -0.21 0.00 -1.00 0.00 0.00 59.36 58.62 1cg7 h GLU 57 Cb 1.97 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 31.21 1cg7 h GLU 57 CO -0.06 0.68 -0.97 0.87 -1.00 0.00 0.00 179.01 178.52 1cg7 h LYS 58 N 0.06 0.06 0.11 2.33 1.79 0.14 -1.75 116.57 119.31 1cg7 h LYS 58 Ca -0.01 -0.09 -0.01 0.00 -2.18 0.00 0.00 60.65 58.37 1cg7 h LYS 58 Cb 1.11 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.79 1cg7 h LYS 58 CO 0.09 0.98 -0.05 2.35 -1.08 0.00 0.00 179.45 181.74 1cg7 h TRP 59 N 0.02 -0.13 0.00 -1.35 -0.00 -0.65 1.52 115.95 115.36 1cg7 h TRP 59 Ca -0.03 -0.00 -0.05 0.00 -0.00 0.00 0.00 58.89 58.81 1cg7 h TRP 59 Cb 1.69 0.04 -0.01 0.00 -0.00 0.00 0.00 29.16 30.88 1cg7 h TRP 59 CO 0.01 0.09 -0.22 1.57 -0.00 0.00 0.00 178.44 179.89 1cg7 h LYS 60 N -0.34 0.00 -0.22 2.65 2.10 -1.47 -0.22 116.57 119.07 1cg7 h LYS 60 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1cg7 h LYS 60 Cb 0.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.61 1cg7 h LYS 60 CO 0.02 0.22 0.00 0.00 -2.00 0.00 0.00 179.45 177.69 1cg7 n ALA 61 N -2.34 2.48 1.95 0.07 0.00 -0.66 -3.85 120.51 118.15 1cg7 n ALA 61 Ca -0.02 -0.71 0.12 0.00 0.00 0.00 0.00 53.44 52.83 1cg7 n ALA 61 Cb 0.32 -0.98 0.67 0.00 0.00 0.00 0.00 19.45 19.46 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 0.89 0.12 -1.22 0.00 7.94 0.51 -4.97 117.00 120.26 1cg7 n LEU 62 Ca 0.17 -0.05 0.11 0.00 -1.11 0.00 0.00 56.01 55.14 1cg7 n LEU 62 Cb 0.47 -0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.36 1cg7 n LEU 62 CO 0.15 0.02 -0.45 1.07 -1.11 0.00 0.00 177.39 177.07 1cg7 n THR 63 N -0.78 -0.89 1.48 1.96 5.66 -1.25 -2.88 114.28 117.58 1cg7 n THR 63 Ca 0.17 0.75 0.12 0.00 -3.05 0.00 0.00 64.05 62.04 1cg7 n THR 63 Cb 0.10 -1.14 0.70 0.00 -1.55 0.00 0.00 70.33 68.44 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 -3.77 0.73 0.07 1.09 -0.04 -1.26 -2.02 135.00 129.79 1cg7 n PRO 64 Ca -0.06 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.42 1cg7 n PRO 64 Cb 0.47 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.39 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 -2.32 114.58 115.19 1cg7 h GLU 65 Ca 0.00 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.41 1cg7 h GLU 65 Cb 0.01 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.60 1cg7 h GLU 65 CO 0.00 0.33 -2.22 0.39 -1.16 0.00 0.00 179.01 176.35 1cg7 n GLU 66 N -2.97 0.92 0.06 2.33 -0.58 -1.01 -4.34 120.64 115.05 1cg7 n GLU 66 Ca -0.06 -0.03 -0.05 0.00 -0.42 0.00 0.00 57.16 56.60 1cg7 n GLU 66 Cb 0.79 -1.47 -0.10 0.00 -0.57 0.00 0.00 31.44 30.09 1cg7 n GLU 66 CO 0.00 0.00 0.00 1.57 -0.48 0.00 0.00 177.13 178.22 1cg7 h LYS 67 N 0.00 0.00 -0.52 3.49 5.09 -1.52 -2.93 116.57 120.17 1cg7 h LYS 67 Ca -0.43 0.00 0.08 0.00 0.09 0.00 0.00 60.65 60.39 1cg7 h LYS 67 Cb 1.96 0.00 -0.10 0.00 0.10 0.00 0.00 32.23 34.19 1cg7 h LYS 67 CO 0.02 0.80 -0.44 1.96 -2.09 0.00 0.00 179.45 179.70 1cg7 h GLN 68 N 0.00 -0.26 0.01 0.07 4.20 -1.61 1.51 115.11 119.04 1cg7 h GLN 68 Ca -0.06 0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 1cg7 h GLN 68 Cb 1.73 0.06 0.00 0.00 0.30 0.00 0.00 27.48 29.57 1cg7 h GLN 68 CO 0.11 -0.17 -0.00 -1.00 -0.67 0.00 0.00 178.83 177.09 1cg7 h PRO 69 N -0.27 -0.01 -0.08 1.46 0.13 -1.80 -1.96 132.00 129.47 1cg7 h PRO 69 Ca 0.16 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.33 1cg7 h PRO 69 Cb 0.57 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.64 1cg7 h PRO 69 CO -0.65 0.71 -0.44 1.88 -0.23 0.00 0.00 178.00 179.27 1cg7 h TYR 70 N -0.76 -1.28 -0.24 1.56 0.05 -1.29 0.37 116.97 115.38 1cg7 h TYR 70 Ca -0.00 0.05 -0.02 0.00 0.05 0.00 0.00 58.73 58.81 1cg7 h TYR 70 Cb 0.73 0.57 -0.01 0.00 1.01 0.00 0.00 36.73 39.03 1cg7 h TYR 70 CO 0.18 -0.50 0.07 1.49 -1.05 0.00 0.00 178.16 178.35 1cg7 h GLU 71 N -0.54 0.34 0.00 4.88 4.81 0.20 0.16 114.58 124.43 1cg7 h GLU 71 Ca 0.06 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 1cg7 h GLU 71 Cb 0.65 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.96 1cg7 h GLU 71 CO -0.38 0.31 -0.08 0.00 -0.73 0.00 0.00 179.01 178.13 1cg7 h ALA 72 N 1.74 1.47 0.21 2.92 0.00 -0.20 0.02 119.26 125.42 1cg7 h ALA 72 Ca 0.09 -0.08 -0.32 0.00 0.00 0.00 0.00 54.91 54.60 1cg7 h ALA 72 Cb 0.12 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 17.93 1cg7 h ALA 72 CO -0.01 0.11 -1.40 -0.22 0.00 0.00 0.00 179.25 177.73 1cg7 h LYS 73 N 0.00 0.54 0.00 0.00 1.63 0.91 -3.12 116.57 116.53 1cg7 h LYS 73 Ca -0.00 -0.86 0.00 0.00 -0.85 0.00 0.00 60.65 58.94 1cg7 h LYS 73 Cb 0.20 0.31 0.00 0.00 -0.60 0.00 0.00 32.23 32.15 1cg7 h LYS 73 CO 0.01 1.41 0.00 0.00 -3.45 0.00 0.00 179.45 177.42 1cg7 h ALA 74 N 0.23 1.00 0.00 5.00 0.00 -0.79 -1.91 119.26 122.79 1cg7 h ALA 74 Ca -0.23 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 1cg7 h ALA 74 Cb 2.09 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.87 1cg7 h ALA 74 CO 0.26 0.00 -0.22 0.37 0.00 0.00 0.00 179.25 179.66 1cg7 h GLN 75 N 0.00 0.00 0.05 0.00 5.75 -0.97 -2.89 115.11 117.05 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 0.40 0.00 0.01 0.00 1.07 0.00 0.00 27.48 28.97 1cg7 h GLN 75 CO 0.00 0.22 -0.53 0.00 -2.65 0.00 0.00 178.83 175.87 1cg7 h ALA 76 N 1.78 -0.00 0.00 3.38 0.00 -1.41 -3.09 119.26 119.92 1cg7 h ALA 76 Ca -0.00 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1cg7 h ALA 76 Cb 0.96 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1cg7 h ALA 76 CO 0.03 0.26 0.00 -3.47 0.00 0.00 0.00 179.25 176.07 1cg7 n ASP 77 N -4.29 0.38 0.24 0.00 -0.08 -1.21 -1.34 116.55 110.26 1cg7 n ASP 77 Ca -0.11 0.64 0.08 0.00 -1.51 0.00 0.00 54.79 53.88 1cg7 n ASP 77 Cb 0.67 -0.70 0.60 0.00 2.34 0.00 0.00 41.12 44.02 1cg7 n ASP 77 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1cg7 h LYS 78 N 0.00 0.00 0.01 -0.67 3.64 -1.42 -1.44 116.57 116.69 1cg7 h LYS 78 Ca 0.00 0.00 -0.38 0.00 -1.27 0.00 0.00 60.65 59.00 1cg7 h LYS 78 Cb 0.15 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 31.91 1cg7 h LYS 78 CO 0.00 0.15 -2.39 0.36 -2.27 0.00 0.00 179.45 175.30 1cg7 n LYS 79 N -4.13 0.67 0.28 1.90 2.85 -0.45 -4.19 118.16 115.10 1cg7 n LYS 79 Ca -0.02 0.12 0.18 0.00 -1.05 0.00 0.00 58.31 57.54 1cg7 n LYS 79 Cb 0.22 -1.54 0.95 0.00 -0.65 0.00 0.00 35.03 34.01 1cg7 n LYS 79 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 177.40 177.26 1cg7 h ARG 80 N 0.01 0.00 0.00 -1.58 1.12 -1.22 0.61 114.38 113.32 1cg7 h ARG 80 Ca -0.55 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.32 1cg7 h ARG 80 Cb 2.01 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.97 1cg7 h ARG 80 CO -0.04 0.00 -0.01 -0.92 -3.11 0.00 0.00 179.97 175.89 1cg7 h TYR 81 N 0.00 0.00 0.00 2.20 3.20 -1.43 -3.08 116.97 117.85 1cg7 h TYR 81 Ca 0.04 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.91 1cg7 h TYR 81 Cb 0.37 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.64 1cg7 h TYR 81 CO 0.00 0.00 -0.75 0.93 -1.64 0.00 0.00 178.16 176.70 1cg7 h GLU 82 N 0.00 0.00 -0.06 1.82 5.08 0.02 -2.88 114.58 118.56 1cg7 h GLU 82 Ca 0.00 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.12 1cg7 h GLU 82 Cb 0.85 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.12 1cg7 h GLU 82 CO 0.00 0.00 -0.90 0.77 -1.00 0.00 0.00 179.01 177.88 1cg7 h SER 83 N 0.00 0.89 1.43 1.42 0.02 -1.40 -1.96 113.55 113.96 1cg7 h SER 83 Ca 0.00 -0.70 0.00 0.00 -0.84 0.00 0.00 61.79 60.25 1cg7 h SER 83 Cb 0.98 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.25 1cg7 h SER 83 CO 0.00 1.46 -0.20 -0.33 -1.14 0.00 0.00 176.83 176.62 1cg7 h GLU 84 N 0.40 0.00 0.05 3.45 5.08 -1.66 -3.20 114.58 118.69 1cg7 h GLU 84 Ca -0.10 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.02 1cg7 h GLU 84 Cb 1.55 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.78 1cg7 h GLU 84 CO 0.18 0.00 -1.21 -0.22 -1.00 0.00 0.00 179.01 176.76 1cg7 h LYS 85 N 0.00 0.10 -0.23 2.33 3.64 -1.45 -2.78 116.57 118.18 1cg7 h LYS 85 Ca 0.00 -0.17 0.01 0.00 -1.27 0.00 0.00 60.65 59.22 1cg7 h LYS 85 Cb 0.82 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.69 1cg7 h LYS 85 CO 0.00 1.02 0.12 0.93 -2.27 0.00 0.00 179.45 179.25 1cg7 h GLU 86 N 0.03 0.25 -0.18 1.90 5.08 -1.35 0.79 114.58 121.10 1cg7 h GLU 86 Ca -0.10 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.21 1cg7 h GLU 86 Cb 1.88 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 31.07 1cg7 h GLU 86 CO 0.15 0.17 -0.03 -0.07 -1.00 0.00 0.00 179.01 178.23 1cg7 h LEU 87 N 0.26 0.33 -0.07 1.33 -0.00 -1.65 0.88 115.31 116.39 1cg7 h LEU 87 Ca 0.09 -0.35 0.02 0.00 -0.00 0.00 0.00 57.88 57.65 1cg7 h LEU 87 Cb 0.01 -0.09 -0.02 0.00 -0.00 0.00 0.00 40.66 40.56 1cg7 h LEU 87 CO -0.06 0.60 -0.06 0.22 -0.00 0.00 0.00 178.44 179.14 1cg7 h TYR 88 N 0.06 -0.15 -0.34 1.13 3.20 -1.20 0.17 116.97 119.84 1cg7 h TYR 88 Ca 0.05 0.01 -0.14 0.00 3.14 0.00 0.00 58.73 61.78 1cg7 h TYR 88 Cb 0.45 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 1cg7 h TYR 88 CO 0.05 -0.10 -0.36 -0.97 -1.64 0.00 0.00 178.16 175.14 1cg7 h ASN 89 N -0.08 0.83 -0.03 -2.11 -1.24 0.62 -2.17 115.58 111.40 1cg7 h ASN 89 Ca 0.05 -0.36 0.01 0.00 0.71 0.00 0.00 56.30 56.71 1cg7 h ASN 89 Cb 0.15 -0.23 -0.00 0.00 0.73 0.00 0.00 38.32 38.97 1cg7 h ASN 89 CO -0.12 1.10 0.04 0.00 -1.29 0.00 0.00 177.43 177.17 1cg7 h ALA 90 N 0.94 1.44 0.03 1.57 0.00 0.13 0.88 119.26 124.24 1cg7 h ALA 90 Ca 0.06 -0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.71 1cg7 h ALA 90 Cb 0.91 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1cg7 h ALA 90 CO 0.08 -0.06 -1.36 1.15 0.00 0.00 0.00 179.25 179.07 1cg7 h THR 91 N 0.00 1.30 -1.60 0.00 2.02 -0.36 -3.44 112.91 110.83 1cg7 h THR 91 Ca 0.01 -3.04 -0.53 0.00 0.77 0.00 0.00 66.41 63.62 1cg7 h THR 91 Cb 0.10 2.68 -0.00 0.00 -1.74 0.00 0.00 68.15 69.19 1cg7 h THR 91 CO -0.00 0.77 1.57 0.18 0.37 0.00 0.00 175.52 178.42 1cg7 n LEU 92 N -3.27 2.53 0.00 2.58 4.32 0.30 -5.11 117.00 118.35 1cg7 n LEU 92 Ca -0.09 -0.13 0.00 0.00 -0.02 0.00 0.00 56.01 55.76 1cg7 n LEU 92 Cb 1.00 -1.51 0.00 0.00 -1.62 0.00 0.00 43.42 41.29 1cg7 n LEU 92 CO 0.47 -1.14 0.00 0.00 -1.22 0.00 0.00 177.39 175.50