#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gx7 n LYS 37 N 0.00 2.12 -4.17 7.34 5.02 -1.26 -5.14 118.16 122.08 1gx7 n LYS 37 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 1gx7 n LYS 37 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 34.92 1gx7 n LYS 37 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1gx7 s GLN 38 N 1.43 1.22 0.00 1.97 -1.52 -1.26 -5.05 119.66 116.44 1gx7 s GLN 38 Ca 0.00 -1.56 0.00 0.00 -1.95 0.00 0.00 55.36 51.85 1gx7 s GLN 38 Cb 0.00 0.29 0.00 0.00 -0.22 0.00 0.00 33.01 33.08 1gx7 s GLN 38 CO 0.00 -0.41 0.32 -0.89 -0.25 0.00 0.00 175.29 174.06 1gx7 n ILE 39 N -0.27 0.00 0.24 1.08 -0.00 -1.26 -1.29 119.36 117.86 1gx7 n ILE 39 Ca 0.01 0.48 0.13 0.00 -0.00 0.00 0.00 62.75 63.37 1gx7 n ILE 39 Cb 0.65 -0.64 0.52 0.00 -0.00 0.00 0.00 39.64 40.17 1gx7 n ILE 39 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.55 177.05 1gx7 h LYS 40 N 0.00 0.00 -0.13 0.38 3.64 -1.95 -1.48 116.57 117.03 1gx7 h LYS 40 Ca 0.00 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.18 1gx7 h LYS 40 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1gx7 h LYS 40 CO 0.00 0.14 -0.73 0.22 -2.27 0.00 0.00 179.45 176.81 1gx7 h ASP 41 N 0.00 0.71 -0.51 4.20 3.58 -1.59 0.27 116.42 123.08 1gx7 h ASP 41 Ca -0.00 -0.45 -0.09 0.00 0.42 0.00 0.00 57.03 56.91 1gx7 h ASP 41 Cb 0.68 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.50 1gx7 h ASP 41 CO 0.02 1.22 -0.02 1.88 -2.88 0.00 0.00 179.24 179.46 1gx7 h TYR 42 N 0.42 1.00 0.18 0.28 0.05 -1.25 -0.02 116.97 117.63 1gx7 h TYR 42 Ca -0.03 -0.18 -0.00 0.00 0.05 0.00 0.00 58.73 58.56 1gx7 h TYR 42 Cb 1.32 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 38.80 1gx7 h TYR 42 CO 0.06 0.93 -0.12 0.52 -1.05 0.00 0.00 178.16 178.51 1gx7 h MET 43 N 0.78 -0.29 -0.49 4.88 2.86 -1.08 -0.14 114.93 121.45 1gx7 h MET 43 Ca 0.14 0.02 -0.07 0.00 -2.06 0.00 0.00 59.70 57.73 1gx7 h MET 43 Cb 0.55 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.25 1gx7 h MET 43 CO 0.03 -0.19 0.01 -0.07 1.06 0.00 0.00 176.91 177.75 1gx7 h LEU 44 N -0.30 0.77 -0.72 1.22 3.38 -0.28 -0.66 115.31 118.71 1gx7 h LEU 44 Ca -0.01 -0.18 -0.13 0.00 0.09 0.00 0.00 57.88 57.64 1gx7 h LEU 44 Cb 0.26 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1gx7 h LEU 44 CO 0.01 0.83 -0.63 0.44 0.09 0.00 0.00 178.44 179.17 1gx7 h ASP 45 N 0.75 0.04 -0.19 -0.43 3.32 -0.72 0.28 116.42 119.47 1gx7 h ASP 45 Ca 0.15 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 1gx7 h ASP 45 Cb 0.44 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 1gx7 h ASP 45 CO 0.02 0.66 0.03 0.03 -1.72 0.00 0.00 179.24 178.26 1gx7 h ARG 46 N 0.02 0.32 -0.43 3.56 3.08 -0.27 0.10 114.38 120.76 1gx7 h ARG 46 Ca -0.01 -0.08 0.03 0.00 0.07 0.00 0.00 59.98 59.99 1gx7 h ARG 46 Cb 1.12 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 31.10 1gx7 h ARG 46 CO 0.08 0.47 0.22 0.82 -1.07 0.00 0.00 179.97 180.49 1gx7 h ILE 47 N 0.11 0.97 -0.34 2.04 2.04 -0.75 -0.26 117.51 121.31 1gx7 h ILE 47 Ca 0.06 -0.15 0.07 0.00 1.00 0.00 0.00 64.86 65.83 1gx7 h ILE 47 Cb 0.31 0.50 -0.06 0.00 -0.74 0.00 0.00 36.82 36.83 1gx7 h ILE 47 CO 0.00 0.08 -0.05 -1.13 0.00 0.00 0.00 178.15 177.05 1gx7 h ASN 48 N 0.44 -0.25 -0.62 1.72 -1.24 -0.32 -0.50 115.58 114.80 1gx7 h ASN 48 Ca 0.18 0.09 0.02 0.00 0.71 0.00 0.00 56.30 57.31 1gx7 h ASN 48 Cb 0.09 0.19 -0.04 0.00 0.73 0.00 0.00 38.32 39.29 1gx7 h ASN 48 CO -0.13 -0.09 0.39 1.23 -1.29 0.00 0.00 177.43 177.55 1gx7 h GLY 49 N 0.03 0.87 0.98 1.57 0.00 0.24 0.34 103.07 107.11 1gx7 h GLY 49 Ca 0.17 -0.30 -0.04 0.00 0.00 0.00 0.00 47.33 47.15 1gx7 h GLY 49 CO -0.33 0.28 -0.38 -2.08 0.00 0.00 0.00 176.54 174.04 1gx7 h VAL 50 N 0.79 0.21 -0.09 4.60 2.07 -0.66 -1.95 116.25 121.22 1gx7 h VAL 50 Ca 0.24 -0.05 -0.16 0.00 0.82 0.00 0.00 66.70 67.55 1gx7 h VAL 50 Cb -0.04 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 29.95 1gx7 h VAL 50 CO -0.08 0.00 -0.65 1.88 0.02 0.00 0.00 177.57 178.75 1gx7 h TYR 51 N -1.09 0.45 -0.30 1.57 0.05 -0.73 0.48 116.97 117.39 1gx7 h TYR 51 Ca -0.11 -0.18 -0.02 0.00 0.05 0.00 0.00 58.73 58.47 1gx7 h TYR 51 Cb 0.81 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 38.46 1gx7 h TYR 51 CO -0.01 0.89 0.11 0.78 -1.05 0.00 0.00 178.16 178.88 1gx7 h GLY 52 N 1.36 0.50 2.00 3.88 0.00 -0.37 -2.20 103.07 108.24 1gx7 h GLY 52 Ca -0.01 -0.29 -0.13 0.00 0.00 0.00 0.00 47.33 46.90 1gx7 h GLY 52 CO 0.11 0.27 -0.61 0.00 0.00 0.00 0.00 176.54 176.31 1gx7 h ALA 53 N 0.94 0.67 0.00 3.60 0.00 -1.08 -2.96 119.26 120.43 1gx7 h ALA 53 Ca 0.10 -0.55 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 1gx7 h ALA 53 Cb 0.22 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1gx7 h ALA 53 CO -0.01 0.76 -0.26 0.22 0.00 0.00 0.00 179.25 179.96 1gx7 h ASP 54 N 0.00 0.00 0.71 0.00 3.58 -0.63 -0.98 116.42 119.10 1gx7 h ASP 54 Ca -0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.44 1gx7 h ASP 54 Cb 1.37 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.42 1gx7 h ASP 54 CO 0.08 0.26 0.00 0.00 -2.88 0.00 0.00 179.24 176.70 1gx7 n ALA 55 N -2.45 1.83 0.79 -0.78 0.00 -0.85 -1.61 120.51 117.44 1gx7 n ALA 55 Ca -0.02 -0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.51 1gx7 n ALA 55 Cb 0.32 -1.33 0.17 0.00 0.00 0.00 0.00 19.45 18.62 1gx7 n ALA 55 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1gx7 n LYS 56 N -1.71 2.35 -3.51 0.00 5.02 -0.37 -4.71 118.16 115.22 1gx7 n LYS 56 Ca 0.04 -1.99 -0.42 0.00 -2.02 0.00 0.00 58.31 53.93 1gx7 n LYS 56 Cb 0.23 -1.48 -0.08 0.00 -0.02 0.00 0.00 35.03 33.69 1gx7 n LYS 56 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1gx7 s PHE 57 N -1.82 3.42 -0.99 2.13 0.08 -0.63 -4.95 117.98 115.22 1gx7 s PHE 57 Ca 0.32 -1.84 0.27 0.00 0.12 0.00 0.00 56.93 55.80 1gx7 s PHE 57 Cb 0.21 -3.55 0.89 0.00 -0.57 0.00 0.00 43.02 40.00 1gx7 s PHE 57 CO 0.31 -0.99 1.69 -0.35 -0.10 0.00 0.00 175.22 175.78 1gx7 n PRO 58 N 4.82 0.01 -1.98 0.24 -0.04 -1.26 -3.75 135.00 133.04 1gx7 n PRO 58 Ca -0.07 0.01 -0.42 0.00 -0.04 0.00 0.00 63.50 62.99 1gx7 n PRO 58 Cb 0.41 -1.51 -0.00 0.00 -0.04 0.00 0.00 33.50 32.36 1gx7 n PRO 58 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1gx7 n VAL 59 N -1.53 4.24 0.01 0.52 0.31 -1.26 -4.68 118.33 115.95 1gx7 n VAL 59 Ca 0.06 -3.78 -0.11 0.00 -0.01 0.00 0.00 64.34 60.51 1gx7 n VAL 59 Cb 0.34 -2.41 0.03 0.00 -0.91 0.00 0.00 33.84 30.89 1gx7 n VAL 59 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1gx7 h ARG 60 N 5.53 0.55 -6.23 5.55 2.47 -1.94 -3.43 114.38 116.87 1gx7 h ARG 60 Ca 0.55 -0.38 -0.55 0.00 -1.26 0.00 0.00 59.98 58.34 1gx7 h ARG 60 Cb 0.53 0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.90 1gx7 h ARG 60 CO 1.70 1.00 1.04 0.00 0.56 0.00 0.00 179.97 184.27 1gx7 s ALA 61 N -3.88 3.61 -1.31 0.04 0.00 -1.26 -4.88 121.76 114.09 1gx7 s ALA 61 Ca -0.07 0.80 0.29 0.00 0.00 0.00 0.00 51.96 52.97 1gx7 s ALA 61 Cb 0.11 -3.72 1.24 0.00 0.00 0.00 0.00 23.12 20.75 1gx7 s ALA 61 CO 0.85 -1.37 1.89 -1.13 0.00 0.00 0.00 175.76 176.01 1gx7 n SER 62 N 7.06 0.18 -0.00 0.00 3.41 -1.26 -1.67 113.62 121.34 1gx7 n SER 62 Ca 0.16 -0.07 0.08 0.00 -0.26 0.00 0.00 58.87 58.78 1gx7 n SER 62 Cb 0.43 -0.23 -0.10 0.00 -0.26 0.00 0.00 64.21 64.05 1gx7 n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1gx7 n GLN 63 N -1.29 1.48 -0.96 4.33 0.00 -1.26 -4.56 117.38 115.12 1gx7 n GLN 63 Ca 0.11 -0.03 -0.11 0.00 0.00 0.00 0.00 57.00 56.98 1gx7 n GLN 63 Cb 0.29 -1.28 0.19 0.00 0.00 0.00 0.00 30.24 29.44 1gx7 n GLN 63 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1gx7 n ASP 64 N -1.50 2.89 -4.68 2.61 8.00 -0.67 -4.51 116.55 118.69 1gx7 n ASP 64 Ca 0.02 -3.74 -0.42 0.00 0.71 0.00 0.00 54.79 51.35 1gx7 n ASP 64 Cb 0.28 -0.70 -0.03 0.00 -0.02 0.00 0.00 41.12 40.65 1gx7 n ASP 64 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1gx7 s ASN 65 N -2.17 6.87 0.29 -2.24 3.84 -1.25 -4.91 114.94 115.38 1gx7 s ASN 65 Ca 0.49 2.01 0.08 0.00 0.21 0.00 0.00 52.86 55.64 1gx7 s ASN 65 Cb 0.43 -2.55 0.43 0.00 -0.55 0.00 0.00 41.25 39.01 1gx7 s ASN 65 CO 0.03 -0.73 1.67 0.74 -2.79 0.00 0.00 177.10 176.02 1gx7 h THR 66 N 5.12 1.34 -0.19 -5.21 2.02 -1.96 -0.36 112.91 113.67 1gx7 h THR 66 Ca -0.35 -1.69 -0.06 0.00 0.77 0.00 0.00 66.41 65.08 1gx7 h THR 66 Cb 1.16 1.83 -0.00 0.00 -1.74 0.00 0.00 68.15 69.40 1gx7 h THR 66 CO 0.92 0.50 -0.13 1.56 0.37 0.00 0.00 175.52 178.73 1gx7 h GLN 67 N 0.13 0.42 -0.20 6.66 4.20 -1.97 -2.27 115.11 122.09 1gx7 h GLN 67 Ca 0.01 -0.20 -0.12 0.00 0.06 0.00 0.00 58.65 58.39 1gx7 h GLN 67 Cb 0.90 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.67 1gx7 h GLN 67 CO 0.07 0.75 -0.39 0.28 -0.67 0.00 0.00 178.83 178.87 1gx7 h VAL 68 N 0.10 1.30 -0.43 -0.54 2.07 -1.82 0.16 116.25 117.09 1gx7 h VAL 68 Ca 0.04 -1.53 -0.03 0.00 0.82 0.00 0.00 66.70 66.00 1gx7 h VAL 68 Cb 0.64 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 1gx7 h VAL 68 CO 0.04 0.47 0.16 0.11 0.02 0.00 0.00 177.57 178.37 1gx7 h LYS 69 N 0.37 0.65 -0.58 1.57 1.57 -0.99 0.29 116.57 119.44 1gx7 h LYS 69 Ca 0.04 -0.12 -0.06 0.00 -1.87 0.00 0.00 60.65 58.63 1gx7 h LYS 69 Cb 0.85 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.04 1gx7 h LYS 69 CO 0.07 0.61 0.12 0.00 -0.57 0.00 0.00 179.45 179.68 1gx7 h ALA 70 N 1.01 0.77 -0.42 3.86 0.00 -0.78 -0.15 119.26 123.56 1gx7 h ALA 70 Ca 0.14 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1gx7 h ALA 70 Cb 0.21 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1gx7 h ALA 70 CO -0.01 0.50 0.25 1.25 0.00 0.00 0.00 179.25 181.25 1gx7 h LEU 71 N 0.86 0.42 -0.07 0.00 5.85 -0.46 0.11 115.31 122.02 1gx7 h LEU 71 Ca 0.18 -0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.71 1gx7 h LEU 71 Cb 0.39 -0.09 0.01 0.00 0.37 0.00 0.00 40.66 41.34 1gx7 h LEU 71 CO 0.01 0.30 -0.71 0.22 -0.34 0.00 0.00 178.44 177.92 1gx7 h TYR 72 N 0.51 0.84 0.07 1.25 5.03 0.07 0.20 116.97 124.94 1gx7 h TYR 72 Ca 0.16 -0.41 -0.00 0.00 2.58 0.00 0.00 58.73 61.06 1gx7 h TYR 72 Cb -0.01 -0.12 0.00 0.00 1.55 0.00 0.00 36.73 38.16 1gx7 h TYR 72 CO -0.06 1.22 -0.03 0.87 -1.32 0.00 0.00 178.16 178.84 1gx7 h LYS 73 N 0.22 -0.08 -0.60 1.82 1.57 -1.02 0.37 116.57 118.85 1gx7 h LYS 73 Ca -0.07 0.01 -0.30 0.00 -1.87 0.00 0.00 60.65 58.41 1gx7 h LYS 73 Cb 1.37 0.02 -0.18 0.00 0.08 0.00 0.00 32.23 33.51 1gx7 h LYS 73 CO 0.14 0.49 0.20 0.43 -0.57 0.00 0.00 179.45 180.15 1gx7 n SER 74 N -4.79 3.06 0.14 0.86 7.64 0.38 -3.41 113.62 117.51 1gx7 n SER 74 Ca -0.08 -3.68 0.00 0.00 1.01 0.00 0.00 58.87 56.12 1gx7 n SER 74 Cb 0.30 -0.71 0.00 0.00 -1.01 0.00 0.00 64.21 62.79 1gx7 n SER 74 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1gx7 n TYR 75 N -1.08 -3.57 -0.01 1.43 9.36 -1.05 -4.92 117.16 117.33 1gx7 n TYR 75 Ca 0.43 0.92 -0.17 0.00 3.32 0.00 0.00 57.90 62.40 1gx7 n TYR 75 Cb 1.28 2.41 -0.09 0.00 -0.63 0.00 0.00 39.34 42.32 1gx7 n TYR 75 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1gx7 h LEU 76 N 0.00 0.70 0.00 2.98 3.38 -0.86 -3.45 115.31 118.06 1gx7 h LEU 76 Ca 0.00 -0.68 0.00 0.00 0.09 0.00 0.00 57.88 57.29 1gx7 h LEU 76 Cb 0.00 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.54 1gx7 h LEU 76 CO 0.00 1.28 0.00 -0.62 0.09 0.00 0.00 178.44 179.19 1gx7 n GLU 77 N -4.12 0.00 -4.12 1.13 1.02 0.13 -3.62 120.64 111.06 1gx7 n GLU 77 Ca -0.09 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.69 1gx7 n GLU 77 Cb 0.69 -0.01 -0.08 0.00 -0.02 0.00 0.00 31.44 32.02 1gx7 n GLU 77 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1gx7 s LYS 78 N 0.00 3.28 0.09 3.49 1.02 -1.26 -4.88 119.74 121.49 1gx7 s LYS 78 Ca 0.00 -0.28 -0.31 0.00 0.02 0.00 0.00 55.97 55.41 1gx7 s LYS 78 Cb 0.00 -3.01 -0.10 0.00 -0.52 0.00 0.00 37.83 34.20 1gx7 s LYS 78 CO 0.00 0.70 1.82 -1.25 -0.92 0.00 0.00 175.35 175.69 1gx7 s PRO 79 N -0.83 4.15 0.00 -1.68 0.04 -1.26 -4.05 135.00 131.37 1gx7 s PRO 79 Ca 0.13 2.54 0.00 0.00 0.04 0.00 0.00 61.00 63.71 1gx7 s PRO 79 Cb -0.12 -3.70 0.00 0.00 0.04 0.00 0.00 34.50 30.72 1gx7 s PRO 79 CO 0.03 -0.84 0.00 1.28 0.04 0.00 0.00 177.00 177.51 1gx7 n LEU 80 N 6.01 0.00 -4.95 -3.56 4.32 -1.26 -4.84 117.00 112.71 1gx7 n LEU 80 Ca 0.18 0.00 -0.28 0.00 -0.02 0.00 0.00 56.01 55.89 1gx7 n LEU 80 Cb 0.39 0.00 0.17 0.00 -1.62 0.00 0.00 43.42 42.36 1gx7 n LEU 80 CO 0.65 0.00 0.78 -0.83 -1.22 0.00 0.00 177.39 176.78 1gx7 s GLY 81 N 0.00 1.78 0.00 -0.72 0.00 -1.26 -1.55 107.32 105.58 1gx7 s GLY 81 Ca 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 44.72 43.29 1gx7 s GLY 81 CO 0.00 -0.70 0.00 1.57 0.00 0.00 0.00 173.10 173.97 1gx7 n HIS 82 N -3.51 0.00 0.13 1.90 -0.00 -1.26 -3.68 115.22 108.80 1gx7 n HIS 82 Ca 0.16 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 57.86 1gx7 n HIS 82 Cb 0.60 0.00 0.21 0.00 -0.00 0.00 0.00 29.99 30.80 1gx7 n HIS 82 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.34 177.21 1gx7 h LYS 83 N 0.00 0.10 -0.96 1.57 1.57 -1.86 -0.91 116.57 116.07 1gx7 h LYS 83 Ca 0.00 -0.06 0.22 0.00 -1.87 0.00 0.00 60.65 58.95 1gx7 h LYS 83 Cb 0.00 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.24 1gx7 h LYS 83 CO 0.00 0.60 0.63 0.77 -0.57 0.00 0.00 179.45 180.88 1gx7 h SER 84 N 0.08 0.43 0.71 0.86 0.02 -1.76 0.01 113.55 113.90 1gx7 h SER 84 Ca -0.00 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1gx7 h SER 84 Cb 0.95 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.47 1gx7 h SER 84 CO 0.07 0.14 -0.26 1.57 -1.14 0.00 0.00 176.83 177.22 1gx7 n HIS 85 N -4.54 0.00 -0.09 3.45 -0.00 -0.35 -0.51 115.22 113.18 1gx7 n HIS 85 Ca 0.21 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.82 1gx7 n HIS 85 Cb 0.76 -0.36 -0.04 0.00 -0.00 0.00 0.00 29.99 30.35 1gx7 n HIS 85 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 1gx7 n ASP 86 N -1.47 1.86 0.08 0.26 8.00 -0.51 -4.40 116.55 120.38 1gx7 n ASP 86 Ca 0.07 0.50 -0.04 0.00 0.71 0.00 0.00 54.79 56.02 1gx7 n ASP 86 Cb 0.33 -0.85 -0.08 0.00 -0.02 0.00 0.00 41.12 40.51 1gx7 n ASP 86 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1gx7 h LEU 87 N -1.00 0.00 -2.83 0.64 3.38 -0.90 -3.29 115.31 111.32 1gx7 h LEU 87 Ca -0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1gx7 h LEU 87 Cb 0.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1gx7 h LEU 87 CO -0.07 0.84 -0.01 0.18 0.09 0.00 0.00 178.44 179.47 1gx7 n LEU 88 N -3.30 1.88 0.00 1.67 4.77 0.33 -4.97 117.00 117.38 1gx7 n LEU 88 Ca 0.00 -2.07 -0.22 0.00 -0.03 0.00 0.00 56.01 53.68 1gx7 n LEU 88 Cb 0.88 -0.10 -0.06 0.00 -2.33 0.00 0.00 43.42 41.82 1gx7 n LEU 88 CO 0.45 0.50 -0.15 1.41 -1.33 0.00 0.00 177.39 178.27 1gx7 n HIS 89 N -0.66 0.45 -2.94 -1.77 8.25 -1.19 -4.95 115.22 112.41 1gx7 n HIS 89 Ca 0.04 -2.04 0.00 0.00 -0.26 0.00 0.00 57.72 55.46 1gx7 n HIS 89 Cb 0.37 -0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.37 1gx7 n HIS 89 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 1gx7 n THR 90 N -0.84 0.00 -4.25 1.59 5.66 -1.26 -4.88 114.28 110.29 1gx7 n THR 90 Ca -0.10 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.76 1gx7 n THR 90 Cb 0.50 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.17 1gx7 n THR 90 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 1gx7 s HIS 91 N -8.49 1.30 0.43 1.09 3.76 -1.26 -5.12 115.29 107.01 1gx7 s HIS 91 Ca 0.00 -1.21 0.06 0.00 -0.15 0.00 0.00 55.06 53.77 1gx7 s HIS 91 Cb 0.00 -0.72 -0.05 0.00 1.11 0.00 0.00 32.58 32.91 1gx7 s HIS 91 CO 0.00 -0.41 0.11 -1.58 -0.85 0.00 0.00 174.74 172.01 1gx7 s TRP 92 N -3.87 2.43 0.33 1.40 0.23 -1.26 -5.15 118.94 113.04 1gx7 s TRP 92 Ca 0.34 -0.68 0.08 0.00 -2.03 0.00 0.00 56.10 53.81 1gx7 s TRP 92 Cb 0.07 -1.85 -0.06 0.00 0.03 0.00 0.00 33.47 31.66 1gx7 s TRP 92 CO 0.10 0.24 -0.06 -0.06 0.96 0.00 0.00 176.95 178.13 1gx7 s PHE 93 N -2.68 2.23 -0.20 -1.98 0.08 -1.26 -5.12 117.98 109.05 1gx7 s PHE 93 Ca 0.34 -0.61 -0.04 0.00 0.12 0.00 0.00 56.93 56.75 1gx7 s PHE 93 Cb 0.05 -1.32 -0.01 0.00 -0.57 0.00 0.00 43.02 41.17 1gx7 s PHE 93 CO 0.18 0.44 -0.05 -0.51 -0.10 0.00 0.00 175.22 175.19 1gx7 s ASP 94 N -3.55 4.39 0.00 1.36 1.11 -1.26 -4.94 116.67 113.77 1gx7 s ASP 94 Ca 0.32 -0.33 0.15 0.00 0.18 0.00 0.00 52.55 52.86 1gx7 s ASP 94 Cb 0.04 -1.74 0.36 0.00 1.07 0.00 0.00 42.92 42.65 1gx7 s ASP 94 CO 0.15 0.03 1.28 0.29 1.18 0.00 0.00 175.17 178.10 1gx7 n LYS 95 N 4.46 2.53 0.10 8.23 4.76 -1.26 -4.78 118.16 132.20 1gx7 n LYS 95 Ca -0.18 -2.10 0.10 0.00 -2.87 0.00 0.00 58.31 53.26 1gx7 n LYS 95 Cb 0.51 -1.35 0.44 0.00 -1.84 0.00 0.00 35.03 32.79 1gx7 n LYS 95 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1gx7 n SER 96 N 0.87 0.48 0.24 4.39 7.64 -1.26 -0.92 113.62 125.07 1gx7 n SER 96 Ca 0.15 0.62 0.08 0.00 1.01 0.00 0.00 58.87 60.73 1gx7 n SER 96 Cb 0.47 -0.72 0.60 0.00 -1.01 0.00 0.00 64.21 63.55 1gx7 n SER 96 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1gx7 h LYS 97 N 0.00 0.00 -0.43 1.43 3.64 -2.00 -2.04 116.57 117.17 1gx7 h LYS 97 Ca 0.00 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.42 1gx7 h LYS 97 Cb 0.33 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.10 1gx7 h LYS 97 CO 0.00 0.15 0.19 0.78 -2.27 0.00 0.00 179.45 178.30 1gx7 h GLY 98 N 0.61 0.58 -2.45 5.01 0.00 -1.44 -1.29 103.07 104.09 1gx7 h GLY 98 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.21 1gx7 h GLY 98 CO 0.02 0.07 0.00 1.55 0.00 0.00 0.00 176.54 178.18 1gx7 n VAL 99 N -4.95 1.15 -0.08 4.60 3.14 -0.79 0.28 118.33 121.67 1gx7 n VAL 99 Ca 0.03 -0.90 -0.12 0.00 -2.96 0.00 0.00 64.34 60.39 1gx7 n VAL 99 Cb 0.14 0.25 -0.06 0.00 -1.06 0.00 0.00 33.84 33.10 1gx7 n VAL 99 CO 0.00 0.00 0.00 0.11 -6.46 0.00 0.00 176.83 170.48 1gx7 h LYS 100 N 3.53 0.00 0.12 1.45 1.57 -1.14 -3.38 116.57 118.73 1gx7 h LYS 100 Ca 0.00 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.49 1gx7 h LYS 100 Cb 1.02 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.33 1gx7 h LYS 100 CO 0.09 0.49 -1.49 0.93 -0.57 0.00 0.00 179.45 178.90 1gx7 h GLU 101 N -1.00 0.26 0.00 3.15 5.08 -0.86 -3.43 114.58 117.77 1gx7 h GLU 101 Ca -0.15 -0.44 -0.00 0.00 -1.00 0.00 0.00 59.36 57.77 1gx7 h GLU 101 Cb 0.84 0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.25 1gx7 h GLU 101 CO -0.09 1.21 -0.23 1.28 -1.00 0.00 0.00 179.01 180.18 1gx7 n LEU 102 N -3.87 1.26 0.26 1.33 4.77 0.14 -4.75 117.00 116.15 1gx7 n LEU 102 Ca -0.26 0.18 0.14 0.00 -0.03 0.00 0.00 56.01 56.04 1gx7 n LEU 102 Cb 0.92 -0.41 0.66 0.00 -2.33 0.00 0.00 43.42 42.26 1gx7 n LEU 102 CO 0.42 -0.64 0.94 0.74 -1.33 0.00 0.00 177.39 177.52 1gx7 h THR 103 N -0.20 0.29 -1.13 -5.08 2.02 -1.64 -0.59 112.91 106.58 1gx7 h THR 103 Ca -0.00 -0.68 0.32 0.00 0.77 0.00 0.00 66.41 66.81 1gx7 h THR 103 Cb 0.22 1.53 -0.07 0.00 -1.74 0.00 0.00 68.15 68.08 1gx7 h THR 103 CO -0.00 0.10 0.77 0.74 0.37 0.00 0.00 175.52 177.50 1gx7 h THR 104 N 0.00 0.44 -0.45 3.16 2.02 -1.74 0.77 112.91 117.10 1gx7 h THR 104 Ca -0.00 -0.06 -0.31 0.00 0.77 0.00 0.00 66.41 66.80 1gx7 h THR 104 Cb 0.52 0.23 -0.11 0.00 -1.74 0.00 0.00 68.15 67.05 1gx7 h THR 104 CO 0.01 0.03 -0.02 0.00 0.37 0.00 0.00 175.52 175.92 1gx7 n ALA 105 N -2.62 6.25 -1.59 6.16 0.00 -0.23 -4.62 120.51 123.87 1gx7 n ALA 105 Ca 0.26 -2.24 -0.04 0.00 0.00 0.00 0.00 53.44 51.43 1gx7 n ALA 105 Cb 1.10 -2.15 -0.01 0.00 0.00 0.00 0.00 19.45 18.38 1gx7 n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gx7 n GLY 106 N 1.70 0.45 0.13 0.00 0.00 -1.10 -4.90 105.19 101.47 1gx7 n GLY 106 Ca 0.43 -0.81 -0.20 0.00 0.00 0.00 0.00 46.02 45.43 1gx7 n GLY 106 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1gx7 n LYS 107 N -2.14 0.69 -3.59 1.61 5.02 0.20 -3.87 118.16 116.07 1gx7 n LYS 107 Ca -0.04 0.23 -0.11 0.00 -2.02 0.00 0.00 58.31 56.37 1gx7 n LYS 107 Cb 0.33 -1.61 -0.10 0.00 -0.02 0.00 0.00 35.03 33.63 1gx7 n LYS 107 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1gx7 s LEU 108 N -6.88 -0.51 -0.08 -0.35 0.20 -0.80 -3.61 118.68 106.64 1gx7 s LEU 108 Ca -0.30 0.66 -0.30 0.00 0.69 0.00 0.00 54.13 54.88 1gx7 s LEU 108 Cb 0.08 1.06 -0.03 0.00 -0.43 0.00 0.00 46.19 46.88 1gx7 s LEU 108 CO 0.66 -0.25 1.20 -2.16 -0.29 0.00 0.00 176.35 175.51 1gx7 s PRO 109 N 2.53 4.33 0.11 0.98 0.04 -1.26 -4.16 135.00 137.56 1gx7 s PRO 109 Ca 0.03 1.65 -0.30 0.00 0.04 0.00 0.00 61.00 62.42 1gx7 s PRO 109 Cb -0.13 -3.60 -0.06 0.00 0.04 0.00 0.00 34.50 30.75 1gx7 s PRO 109 CO -0.12 -0.50 1.02 1.21 0.04 0.00 0.00 177.00 178.65 1gx7 s ASN 110 N 1.56 7.39 0.27 6.66 2.47 -1.24 -4.33 114.94 127.73 1gx7 s ASN 110 Ca 0.55 1.86 0.23 0.00 0.42 0.00 0.00 52.86 55.93 1gx7 s ASN 110 Cb -0.24 -2.59 1.01 0.00 -1.45 0.00 0.00 41.25 37.99 1gx7 s ASN 110 CO 0.20 -0.17 1.71 -2.65 -3.72 0.00 0.00 177.10 172.47 1gx7 n PRO 111 N 2.96 0.19 -0.13 0.43 -0.02 -1.26 -2.03 135.00 135.13 1gx7 n PRO 111 Ca 0.04 0.45 0.12 0.00 -2.02 0.00 0.00 63.50 62.08 1gx7 n PRO 111 Cb 0.48 -1.89 0.26 0.00 -0.02 0.00 0.00 33.50 32.33 1gx7 n PRO 111 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1gx7 n ARG 112 N -2.25 2.25 -0.28 -0.52 0.63 -1.26 -4.11 116.66 111.12 1gx7 n ARG 112 Ca 0.02 -1.88 0.07 0.00 -0.92 0.00 0.00 57.85 55.14 1gx7 n ARG 112 Cb 0.21 -1.47 0.29 0.00 0.45 0.00 0.00 32.46 31.94 1gx7 n ARG 112 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1gx7 h ALA 113 N 4.40 1.62 -0.51 5.13 0.00 -1.82 -0.10 119.26 127.99 1gx7 h ALA 113 Ca 0.00 -0.01 0.15 0.00 0.00 0.00 0.00 54.91 55.05 1gx7 h ALA 113 Cb 0.83 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1gx7 h ALA 113 CO 0.00 0.21 0.77 0.77 0.00 0.00 0.00 179.25 181.01 1gx7 h SER 114 N 0.90 0.00 -0.44 0.00 0.02 -1.82 0.10 113.55 112.30 1gx7 h SER 114 Ca 0.40 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.35 1gx7 h SER 114 Cb 0.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.89 1gx7 h SER 114 CO -0.16 0.00 0.00 -0.62 -1.14 0.00 0.00 176.83 174.91 1gx7 n GLU 115 N -3.25 2.50 -0.05 3.45 1.02 -0.05 -4.08 120.64 120.19 1gx7 n GLU 115 Ca 0.10 -2.22 0.04 0.00 -0.02 0.00 0.00 57.16 55.07 1gx7 n GLU 115 Cb 0.95 -1.42 0.07 0.00 -0.02 0.00 0.00 31.44 31.02 1gx7 n GLU 115 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1gx7 n PHE 116 N 1.14 0.04 -2.67 -0.32 3.72 0.02 -5.02 117.46 114.37 1gx7 n PHE 116 Ca 0.17 -0.71 -0.42 0.00 -0.05 0.00 0.00 57.45 56.44 1gx7 n PHE 116 Cb 0.52 -0.10 -0.03 0.00 -0.94 0.00 0.00 39.48 38.93 1gx7 n PHE 116 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 1gx7 s GLU 117 N -1.81 3.38 0.25 -1.08 2.12 -1.22 -4.50 118.70 115.83 1gx7 s GLU 117 Ca 0.15 -0.90 -0.07 0.00 0.36 0.00 0.00 54.97 54.51 1gx7 s GLU 117 Cb 0.13 -4.71 0.03 0.00 0.26 0.00 0.00 34.13 29.84 1gx7 s GLU 117 CO 0.02 -2.05 0.46 0.41 -0.54 0.00 0.00 175.26 173.56 1gx7 n GLY 118 N 5.90 1.70 0.31 -1.50 0.00 -1.26 -4.85 105.19 105.49 1gx7 n GLY 118 Ca 0.15 -1.30 -0.14 0.00 0.00 0.00 0.00 46.02 44.73 1gx7 n GLY 118 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1gx7 h PRO 119 N 0.00 -0.56 -5.20 1.61 0.11 -2.05 -3.40 132.00 122.52 1gx7 h PRO 119 Ca -0.21 0.04 -0.43 0.00 0.11 0.00 0.00 66.00 65.51 1gx7 h PRO 119 Cb 0.82 0.13 -0.14 0.00 0.11 0.00 0.00 31.00 31.91 1gx7 h PRO 119 CO 0.27 -0.37 -0.64 0.71 -0.21 0.00 0.00 178.00 177.76 1gx7 s TYR 120 N -6.05 1.77 0.37 0.65 2.02 -1.26 -5.13 117.35 109.72 1gx7 s TYR 120 Ca -0.16 -0.91 -0.28 0.00 -0.37 0.00 0.00 57.07 55.35 1gx7 s TYR 120 Cb 0.06 -1.07 -0.11 0.00 -0.40 0.00 0.00 41.96 40.44 1gx7 s TYR 120 CO 0.64 0.02 1.48 -0.35 -1.57 0.00 0.00 175.55 175.77 1gx7 n PRO 121 N -0.54 2.65 0.00 -1.71 -0.04 -1.26 -4.88 135.00 129.21 1gx7 n PRO 121 Ca -0.04 0.93 0.00 0.00 -0.04 0.00 0.00 63.50 64.35 1gx7 n PRO 121 Cb 0.65 -2.65 0.00 0.00 -0.04 0.00 0.00 33.50 31.46 1gx7 n PRO 121 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1gx7 n TYR 122 N 0.44 0.00 -0.18 0.54 4.01 -1.26 -5.00 117.16 115.71 1gx7 n TYR 122 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 1gx7 n TYR 122 Cb 0.39 0.14 0.00 0.00 -0.31 0.00 0.00 39.34 39.56 1gx7 n TYR 122 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49