#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1grx s GLN 2 N 0.00 0.48 -0.31 2.12 0.74 -1.26 -3.61 119.66 117.82 1grx s GLN 2 Ca 0.00 -0.02 0.02 0.00 0.05 0.00 0.00 55.36 55.41 1grx s GLN 2 Cb 0.00 0.22 0.08 0.00 1.10 0.00 0.00 33.01 34.41 1grx s GLN 2 CO 0.00 -0.11 0.00 0.99 -0.55 0.00 0.00 175.29 175.62 1grx s THR 3 N -0.76 2.47 -0.23 -0.34 2.01 -0.47 -0.62 115.64 117.69 1grx s THR 3 Ca -0.08 -1.90 -0.08 0.00 0.31 0.00 0.00 61.69 59.94 1grx s THR 3 Cb -0.04 -2.61 -0.04 0.00 0.01 0.00 0.00 72.50 69.82 1grx s THR 3 CO 0.02 -0.32 0.09 -0.69 -0.69 0.00 0.00 174.62 173.02 1grx s VAL 4 N 1.06 4.60 -0.51 3.82 1.01 0.21 -0.76 120.40 129.82 1grx s VAL 4 Ca 0.01 -0.08 -0.02 0.00 0.00 0.00 0.00 61.98 61.88 1grx s VAL 4 Cb -0.20 -3.13 0.13 0.00 0.00 0.00 0.00 36.38 33.18 1grx s VAL 4 CO -0.05 0.36 0.31 -0.63 0.00 0.00 0.00 175.10 175.09 1grx s ILE 5 N 1.27 3.42 -0.30 2.22 1.01 0.40 -0.57 121.20 128.65 1grx s ILE 5 Ca 0.05 -2.54 -0.19 0.00 0.00 0.00 0.00 60.65 57.97 1grx s ILE 5 Cb -0.15 -3.29 -0.01 0.00 0.01 0.00 0.00 42.46 39.02 1grx s ILE 5 CO 0.04 -0.78 0.59 -0.36 0.00 0.00 0.00 174.94 174.43 1grx s PHE 6 N 0.51 3.22 0.09 3.97 0.40 0.32 -0.50 117.98 125.99 1grx s PHE 6 Ca 0.13 0.55 0.00 0.00 -0.60 0.00 0.00 56.93 57.01 1grx s PHE 6 Cb -0.22 -2.92 0.00 0.00 0.51 0.00 0.00 43.02 40.39 1grx s PHE 6 CO -0.04 -0.44 0.00 0.41 0.70 0.00 0.00 175.22 175.86 1grx n GLY 7 N 4.46 -2.80 0.00 4.36 0.00 -0.40 -0.70 105.19 110.11 1grx n GLY 7 Ca -0.02 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.65 1grx n GLY 7 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1grx n ARG 8 N -2.18 0.00 -1.00 1.61 0.63 -1.26 -4.36 116.66 110.11 1grx n ARG 8 Ca -0.01 0.00 0.13 0.00 -0.92 0.00 0.00 57.85 57.05 1grx n ARG 8 Cb 0.10 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 32.96 1grx n ARG 8 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1grx n SER 9 N 0.00 -6.00 -0.06 6.15 7.64 -1.26 -4.85 113.62 115.24 1grx n SER 9 Ca 0.00 0.69 -0.01 0.00 1.01 0.00 0.00 58.87 60.56 1grx n SER 9 Cb 0.00 -3.22 -0.00 0.00 -1.01 0.00 0.00 64.21 59.98 1grx n SER 9 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1grx n GLY 10 N -3.71 0.21 3.30 0.23 0.00 -1.26 -4.89 105.19 99.06 1grx n GLY 10 Ca -0.02 -0.02 0.03 0.00 0.00 0.00 0.00 46.02 46.01 1grx n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1grx h PRO 12 N 7.56 -0.08 -0.55 0.00 0.13 -2.02 -3.22 132.00 133.81 1grx h PRO 12 Ca -0.15 0.01 0.16 0.00 -0.87 0.00 0.00 66.00 65.15 1grx h PRO 12 Cb 1.13 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 1grx h PRO 12 CO 0.04 0.39 0.40 -0.92 -0.23 0.00 0.00 178.00 177.68 1grx h TYR 13 N -0.60 0.00 -0.43 1.56 3.20 -1.99 -0.12 116.97 118.59 1grx h TYR 13 Ca -0.01 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 1grx h TYR 13 Cb 0.51 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.76 1grx h TYR 13 CO 0.09 0.00 0.17 1.03 -1.64 0.00 0.00 178.16 177.81 1grx h SER 14 N 0.00 0.60 -0.90 -2.11 0.87 -1.89 -2.23 113.55 107.89 1grx h SER 14 Ca 0.26 -0.17 0.15 0.00 -1.23 0.00 0.00 61.79 60.80 1grx h SER 14 Cb 1.06 -0.15 -0.07 0.00 -0.44 0.00 0.00 62.40 62.80 1grx h SER 14 CO -0.00 0.61 0.58 0.58 -0.53 0.00 0.00 176.83 178.07 1grx h VAL 15 N 0.55 0.81 -0.60 2.23 2.07 -1.09 -0.93 116.25 119.28 1grx h VAL 15 Ca 0.14 -0.23 0.16 0.00 0.82 0.00 0.00 66.70 67.60 1grx h VAL 15 Cb 0.20 0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.03 1grx h VAL 15 CO -0.01 0.12 0.43 -0.09 0.02 0.00 0.00 177.57 178.04 1grx h ARG 16 N 0.67 0.07 -0.07 1.57 2.43 -1.42 0.15 114.38 117.77 1grx h ARG 16 Ca 0.46 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.61 1grx h ARG 16 Cb 0.78 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.32 1grx h ARG 16 CO -0.22 0.04 0.00 0.00 -1.51 0.00 0.00 179.97 178.29 1grx h ALA 17 N 1.70 0.10 -0.46 2.80 0.00 -1.28 0.69 119.26 122.80 1grx h ALA 17 Ca 0.29 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1grx h ALA 17 Cb 1.06 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1grx h ALA 17 CO -0.02 -0.23 0.12 -0.22 0.00 0.00 0.00 179.25 178.90 1grx h LYS 18 N -0.16 0.73 -0.57 0.00 3.11 -0.98 -2.09 116.57 116.61 1grx h LYS 18 Ca 0.02 -0.17 0.09 0.00 -2.81 0.00 0.00 60.65 57.78 1grx h LYS 18 Cb 0.34 -0.10 -0.07 0.00 -1.00 0.00 0.00 32.23 31.40 1grx h LYS 18 CO 0.00 0.72 0.17 0.22 -2.81 0.00 0.00 179.45 177.75 1grx h ASP 19 N 0.61 0.13 0.00 4.20 3.58 -0.80 0.00 116.42 124.15 1grx h ASP 19 Ca 0.15 0.09 0.03 0.00 0.42 0.00 0.00 57.03 57.71 1grx h ASP 19 Cb 0.31 0.09 -0.03 0.00 1.72 0.00 0.00 39.33 41.41 1grx h ASP 19 CO -0.00 0.08 -0.17 0.25 -2.88 0.00 0.00 179.24 176.52 1grx h LEU 20 N 0.33 -0.51 -0.81 2.28 5.85 -0.18 0.14 115.31 122.41 1grx h LEU 20 Ca 0.29 0.07 0.12 0.00 0.84 0.00 0.00 57.88 59.20 1grx h LEU 20 Cb 0.37 0.21 -0.08 0.00 0.37 0.00 0.00 40.66 41.54 1grx h LEU 20 CO -0.32 -0.24 0.43 0.00 -0.34 0.00 0.00 178.44 177.97 1grx h ALA 21 N 0.63 1.18 -0.72 1.25 0.00 -1.05 -1.78 119.26 118.78 1grx h ALA 21 Ca 0.05 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1grx h ALA 21 Cb 0.36 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1grx h ALA 21 CO -0.16 -0.01 0.47 1.49 0.00 0.00 0.00 179.25 181.04 1grx h GLU 22 N 0.68 0.95 0.47 0.00 4.81 0.11 0.21 114.58 121.82 1grx h GLU 22 Ca 0.42 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.57 1grx h GLU 22 Cb 0.49 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.66 1grx h GLU 22 CO -0.30 0.63 -0.23 0.87 -0.73 0.00 0.00 179.01 179.25 1grx h LYS 23 N 0.98 -0.62 -0.97 1.92 1.79 -0.26 -2.08 116.57 117.33 1grx h LYS 23 Ca 0.26 0.04 0.18 0.00 -2.18 0.00 0.00 60.65 58.96 1grx h LYS 23 Cb -0.11 0.14 -0.10 0.00 -1.58 0.00 0.00 32.23 30.58 1grx h LYS 23 CO -0.06 -0.41 0.57 -0.07 -1.08 0.00 0.00 179.45 178.40 1grx h LEU 24 N -0.64 0.73 -0.74 2.94 3.38 -0.92 -0.83 115.31 119.23 1grx h LEU 24 Ca -0.06 0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 1grx h LEU 24 Cb 0.49 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1grx h LEU 24 CO 0.10 0.26 -0.28 0.77 0.09 0.00 0.00 178.44 179.39 1grx h SER 25 N 0.73 0.00 0.95 -0.43 4.64 0.06 0.15 113.55 119.65 1grx h SER 25 Ca 0.56 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.78 1grx h SER 25 Cb 0.85 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.92 1grx h SER 25 CO -0.38 0.28 -0.45 0.78 -0.87 0.00 0.00 176.83 176.18 1grx h ASN 26 N 0.00 0.00 0.00 4.97 2.35 -0.58 -3.36 115.58 118.96 1grx h ASN 26 Ca -0.00 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.68 1grx h ASN 26 Cb 0.93 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.29 1grx h ASN 26 CO 0.04 0.45 -0.51 -0.33 -1.65 0.00 0.00 177.43 175.43 1grx h GLU 27 N 0.00 0.00 -6.26 0.81 5.08 -0.49 -3.49 114.58 110.24 1grx h GLU 27 Ca -0.00 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.87 1grx h GLU 27 Cb 1.05 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.28 1grx h GLU 27 CO 0.06 0.49 -0.32 1.03 -1.00 0.00 0.00 179.01 179.27 1grx s ARG 28 N -2.12 2.56 0.00 2.33 0.52 0.40 -5.05 118.95 117.59 1grx s ARG 28 Ca -0.16 -1.52 0.00 0.00 -0.52 0.00 0.00 55.73 53.53 1grx s ARG 28 Cb 0.02 -2.47 0.00 0.00 0.52 0.00 0.00 34.95 33.02 1grx s ARG 28 CO 0.37 -0.31 0.00 -0.40 0.02 0.00 0.00 175.30 174.98 1grx n ASP 29 N -1.70 0.00 0.06 0.23 5.75 -1.26 -4.55 116.55 115.08 1grx n ASP 29 Ca 0.05 -0.86 -0.23 0.00 -0.01 0.00 0.00 54.79 53.75 1grx n ASP 29 Cb 0.61 0.00 -0.15 0.00 -1.03 0.00 0.00 41.12 40.56 1grx n ASP 29 CO 0.00 0.00 0.00 -2.24 -0.11 0.00 0.00 177.20 174.85 1grx h ASP 30 N 0.00 0.57 -3.96 -1.12 2.03 -1.96 -3.43 116.42 108.55 1grx h ASP 30 Ca 0.00 -0.91 -0.48 0.00 -0.73 0.00 0.00 57.03 54.91 1grx h ASP 30 Cb 0.43 -0.19 0.07 0.00 -0.83 0.00 0.00 39.33 38.81 1grx h ASP 30 CO 0.00 1.67 0.27 0.72 -1.03 0.00 0.00 179.24 180.87 1grx s PHE 31 N -2.53 3.19 0.16 4.15 -0.71 -1.26 -4.73 117.98 116.24 1grx s PHE 31 Ca -0.16 0.72 -0.04 0.00 -1.04 0.00 0.00 56.93 56.42 1grx s PHE 31 Cb 0.04 -2.97 -0.03 0.00 -1.21 0.00 0.00 43.02 38.85 1grx s PHE 31 CO 0.84 -1.10 0.15 -0.65 -1.34 0.00 0.00 175.22 173.12 1grx s GLN 32 N -5.18 1.08 0.29 1.99 -1.52 -1.24 -4.99 119.66 110.09 1grx s GLN 32 Ca 0.57 -1.41 0.03 0.00 -1.95 0.00 0.00 55.36 52.59 1grx s GLN 32 Cb -0.11 0.29 -0.06 0.00 -0.22 0.00 0.00 33.01 32.92 1grx s GLN 32 CO 0.47 -0.35 0.07 1.52 -0.25 0.00 0.00 175.29 176.75 1grx s TYR 33 N -4.05 1.74 -0.07 0.91 1.13 -1.26 -1.37 117.35 114.37 1grx s TYR 33 Ca 0.26 -1.07 -0.06 0.00 -1.41 0.00 0.00 57.07 54.79 1grx s TYR 33 Cb 0.06 -1.08 0.02 0.00 -1.10 0.00 0.00 41.96 39.86 1grx s TYR 33 CO 0.04 -0.16 0.19 -1.14 -2.51 0.00 0.00 175.55 171.97 1grx s GLN 34 N -3.96 0.22 -0.17 -3.49 2.00 0.06 -4.89 119.66 109.43 1grx s GLN 34 Ca 0.37 0.26 -0.07 0.00 -2.00 0.00 0.00 55.36 53.92 1grx s GLN 34 Cb 0.08 0.10 -0.04 0.00 0.80 0.00 0.00 33.01 33.96 1grx s GLN 34 CO 0.14 -0.03 0.07 -0.47 -0.50 0.00 0.00 175.29 174.51 1grx s TYR 35 N 0.11 3.30 -0.17 1.67 5.04 -1.26 -0.45 117.35 125.58 1grx s TYR 35 Ca -0.00 0.17 0.01 0.00 -2.44 0.00 0.00 57.07 54.80 1grx s TYR 35 Cb -0.01 -2.05 0.03 0.00 0.35 0.00 0.00 41.96 40.28 1grx s TYR 35 CO 0.00 0.27 -0.14 0.08 -1.34 0.00 0.00 175.55 174.42 1grx s VAL 36 N 0.09 1.72 -0.69 3.14 1.01 0.34 -4.90 120.40 121.11 1grx s VAL 36 Ca 0.06 -0.84 -0.24 0.00 0.00 0.00 0.00 61.98 60.96 1grx s VAL 36 Cb -0.12 -1.65 0.05 0.00 0.00 0.00 0.00 36.38 34.66 1grx s VAL 36 CO 0.00 0.38 1.09 -1.81 0.00 0.00 0.00 175.10 174.76 1grx s ASP 37 N 1.41 6.17 0.55 3.32 1.01 -1.26 -1.27 116.67 126.60 1grx s ASP 37 Ca 0.03 -0.76 0.22 0.00 0.71 0.00 0.00 52.55 52.75 1grx s ASP 37 Cb -0.14 -2.48 1.21 0.00 1.01 0.00 0.00 42.92 42.52 1grx s ASP 37 CO -0.10 -1.60 1.65 0.16 0.21 0.00 0.00 175.17 175.49 1grx h ILE 38 N 6.00 0.00 0.00 0.77 3.07 -1.93 -0.78 117.51 124.64 1grx h ILE 38 Ca -0.28 0.00 -0.10 0.00 1.55 0.00 0.00 64.86 66.03 1grx h ILE 38 Cb 1.06 0.49 -0.01 0.00 -0.27 0.00 0.00 36.82 38.09 1grx h ILE 38 CO 1.22 0.00 -0.47 0.08 -1.05 0.00 0.00 178.15 177.93 1grx h ARG 39 N 0.00 0.00 -0.12 0.16 0.11 -1.93 0.10 114.38 112.71 1grx h ARG 39 Ca 0.00 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.06 1grx h ARG 39 Cb 0.75 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.82 1grx h ARG 39 CO 0.00 0.47 0.00 0.00 0.10 0.00 0.00 179.97 180.54 1grx h ALA 40 N 1.53 0.16 0.32 0.08 0.00 -1.56 -3.34 119.26 116.46 1grx h ALA 40 Ca -0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1grx h ALA 40 Cb 0.99 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1grx h ALA 40 CO 0.06 -0.15 -0.16 0.93 0.00 0.00 0.00 179.25 179.94 1grx h GLU 41 N -0.06 -0.42 0.00 0.00 4.39 -1.56 -3.50 114.58 113.43 1grx h GLU 41 Ca 0.03 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.76 1grx h GLU 41 Cb 0.36 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1grx h GLU 41 CO 0.01 -0.28 0.00 0.41 -1.16 0.00 0.00 179.01 177.99 1grx n GLY 42 N 0.68 0.49 2.69 -3.84 0.00 0.33 -5.13 105.19 100.41 1grx n GLY 42 Ca -0.05 -0.68 -0.20 0.00 0.00 0.00 0.00 46.02 45.09 1grx n GLY 42 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1grx s ILE 43 N 0.00 -0.05 0.96 -0.61 1.01 -1.24 -5.07 121.20 116.20 1grx s ILE 43 Ca 0.00 0.37 -0.15 0.00 0.00 0.00 0.00 60.65 60.87 1grx s ILE 43 Cb 0.00 -0.18 0.18 0.00 0.01 0.00 0.00 42.46 42.47 1grx s ILE 43 CO 0.00 0.18 1.22 0.42 0.00 0.00 0.00 174.94 176.76 1grx s THR 44 N 2.01 1.93 0.04 2.92 -4.23 -1.26 -4.87 115.64 112.18 1grx s THR 44 Ca 0.03 0.00 -0.16 0.00 -1.18 0.00 0.00 61.69 60.39 1grx s THR 44 Cb -0.12 -2.86 -0.30 0.00 1.34 0.00 0.00 72.50 70.55 1grx s THR 44 CO -0.03 0.00 1.07 0.50 -0.54 0.00 0.00 174.62 175.62 1grx h LYS 45 N -1.67 0.59 -0.61 3.99 3.64 -1.97 -1.50 116.57 119.04 1grx h LYS 45 Ca -0.46 -0.83 0.11 0.00 -1.27 0.00 0.00 60.65 58.20 1grx h LYS 45 Cb 1.28 0.28 -0.12 0.00 -0.41 0.00 0.00 32.23 33.27 1grx h LYS 45 CO 0.47 1.38 -0.34 1.05 -2.27 0.00 0.00 179.45 179.74 1grx h GLU 46 N 0.21 -0.15 0.06 1.90 4.11 -1.95 -0.20 114.58 118.57 1grx h GLU 46 Ca -0.20 0.01 -0.00 0.00 0.07 0.00 0.00 59.36 59.24 1grx h GLU 46 Cb 1.93 0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.21 1grx h GLU 46 CO 0.24 -0.10 -0.03 0.22 0.07 0.00 0.00 179.01 179.41 1grx h ASP 47 N -0.15 -0.07 -0.66 3.06 3.58 -1.91 -0.18 116.42 120.08 1grx h ASP 47 Ca 0.24 -0.13 0.11 0.00 0.42 0.00 0.00 57.03 57.67 1grx h ASP 47 Cb 0.55 0.02 -0.12 0.00 1.72 0.00 0.00 39.33 41.50 1grx h ASP 47 CO -0.70 0.08 -0.35 -0.07 -2.88 0.00 0.00 179.24 175.33 1grx h LEU 48 N -0.23 -1.23 -0.96 2.28 3.38 -1.12 0.60 115.31 118.04 1grx h LEU 48 Ca -0.01 0.24 0.07 0.00 0.09 0.00 0.00 57.88 58.28 1grx h LEU 48 Cb 0.20 0.61 -0.07 0.00 0.09 0.00 0.00 40.66 41.50 1grx h LEU 48 CO 0.01 -0.30 0.61 -0.61 0.09 0.00 0.00 178.44 178.24 1grx h GLN 49 N -0.14 1.05 0.29 1.13 4.15 -0.26 0.96 115.11 122.29 1grx h GLN 49 Ca 0.25 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.59 1grx h GLN 49 Cb 0.56 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 28.01 1grx h GLN 49 CO -0.74 0.70 -0.14 0.37 -1.93 0.00 0.00 178.83 177.09 1grx h GLN 50 N 1.08 -0.37 -0.54 1.69 5.75 0.64 0.35 115.11 123.72 1grx h GLN 50 Ca 0.42 0.03 0.09 0.00 -0.15 0.00 0.00 58.65 59.03 1grx h GLN 50 Cb 0.21 0.08 -0.07 0.00 1.07 0.00 0.00 27.48 28.78 1grx h GLN 50 CO -0.19 -0.15 0.16 0.87 -2.65 0.00 0.00 178.83 176.87 1grx h LYS 51 N -0.52 0.31 -0.73 1.69 1.57 -0.58 -1.29 116.57 117.01 1grx h LYS 51 Ca -0.04 -0.02 0.09 0.00 -1.87 0.00 0.00 60.65 58.81 1grx h LYS 51 Cb 0.39 -0.07 -0.07 0.00 0.08 0.00 0.00 32.23 32.56 1grx h LYS 51 CO 0.06 0.21 0.39 0.00 -0.57 0.00 0.00 179.45 179.54 1grx h ALA 52 N 1.39 1.02 -3.93 3.86 0.00 -0.61 -3.47 119.26 117.52 1grx h ALA 52 Ca 0.27 0.04 -0.22 0.00 0.00 0.00 0.00 54.91 55.01 1grx h ALA 52 Cb 0.34 -0.08 0.09 0.00 0.00 0.00 0.00 17.79 18.14 1grx h ALA 52 CO -0.30 0.00 -0.41 0.41 0.00 0.00 0.00 179.25 178.95 1grx n GLY 53 N -1.30 0.04 3.51 0.00 0.00 0.09 -4.47 105.19 103.07 1grx n GLY 53 Ca 0.11 -0.14 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 1grx n GLY 53 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1grx s LYS 54 N -5.41 0.67 -1.40 1.61 2.20 -1.09 -5.07 119.74 111.26 1grx s LYS 54 Ca 0.22 0.93 -0.12 0.00 -0.36 0.00 0.00 55.97 56.64 1grx s LYS 54 Cb -0.10 0.25 -0.05 0.00 -1.51 0.00 0.00 37.83 36.43 1grx s LYS 54 CO 0.42 -0.11 2.53 -0.35 -0.36 0.00 0.00 175.35 177.49 1grx n PRO 55 N 3.30 3.02 -3.33 4.03 -0.04 -1.26 -4.59 135.00 136.13 1grx n PRO 55 Ca -0.16 -2.17 -0.32 0.00 -0.04 0.00 0.00 63.50 60.81 1grx n PRO 55 Cb 0.56 -2.90 -0.05 0.00 -0.04 0.00 0.00 33.50 31.07 1grx n PRO 55 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1grx s VAL 56 N 2.90 4.88 -0.34 0.52 0.11 -1.26 -5.00 120.40 122.21 1grx s VAL 56 Ca 0.58 0.54 0.15 0.00 -2.93 0.00 0.00 61.98 60.31 1grx s VAL 56 Cb 0.15 -3.63 0.43 0.00 -1.53 0.00 0.00 36.38 31.81 1grx s VAL 56 CO -0.05 -0.13 1.20 1.21 -3.33 0.00 0.00 175.10 174.00 1grx n GLU 57 N -0.28 1.26 -1.58 1.54 2.13 -1.26 -4.51 120.64 117.94 1grx n GLU 57 Ca 0.01 -2.49 0.00 0.00 0.66 0.00 0.00 57.16 55.34 1grx n GLU 57 Cb 0.53 -0.63 0.00 0.00 0.27 0.00 0.00 31.44 31.61 1grx n GLU 57 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1grx n THR 58 N -0.52 0.00 -4.44 6.31 -2.24 -1.26 -5.11 114.28 107.03 1grx n THR 58 Ca 0.01 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.49 1grx n THR 58 Cb 0.84 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 69.01 1grx n THR 58 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1grx s VAL 59 N -0.85 1.46 0.39 2.28 -7.23 -1.26 -4.87 120.40 110.32 1grx s VAL 59 Ca 0.00 -1.82 -0.07 0.00 -1.81 0.00 0.00 61.98 58.28 1grx s VAL 59 Cb 0.00 -2.29 0.09 0.00 0.56 0.00 0.00 36.38 34.75 1grx s VAL 59 CO 0.00 0.00 0.49 -0.81 -0.31 0.00 0.00 175.10 174.47 1grx n PRO 60 N -1.39 -0.77 -3.84 4.82 -0.04 -1.26 -4.86 135.00 127.66 1grx n PRO 60 Ca -0.12 -0.76 -0.30 0.00 -0.04 0.00 0.00 63.50 62.28 1grx n PRO 60 Cb 0.66 -0.54 -0.15 0.00 -0.04 0.00 0.00 33.50 33.43 1grx n PRO 60 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1grx s GLN 61 N -4.08 1.16 -0.30 0.54 -0.21 0.12 -4.13 119.66 112.76 1grx s GLN 61 Ca 0.28 -1.62 -0.26 0.00 0.02 0.00 0.00 55.36 53.78 1grx s GLN 61 Cb -0.01 -2.54 0.01 0.00 1.00 0.00 0.00 33.01 31.46 1grx s GLN 61 CO 0.20 -1.02 0.91 0.42 -2.12 0.00 0.00 175.29 173.68 1grx s ILE 62 N 1.00 4.70 0.02 1.08 1.01 -0.27 -0.52 121.20 128.22 1grx s ILE 62 Ca 0.12 1.48 -0.20 0.00 0.00 0.00 0.00 60.65 62.05 1grx s ILE 62 Cb -0.20 -4.24 -0.06 0.00 0.01 0.00 0.00 42.46 37.97 1grx s ILE 62 CO -0.13 -0.30 0.58 -0.36 0.00 0.00 0.00 174.94 174.73 1grx s PHE 63 N 3.18 3.73 -0.18 3.97 0.40 0.27 -0.60 117.98 128.75 1grx s PHE 63 Ca 0.38 1.22 -0.02 0.00 -0.60 0.00 0.00 56.93 57.90 1grx s PHE 63 Cb -0.14 -2.56 -0.01 0.00 0.51 0.00 0.00 43.02 40.83 1grx s PHE 63 CO 0.12 0.45 -0.09 0.08 0.70 0.00 0.00 175.22 176.48 1grx s VAL 64 N -0.55 3.19 -1.42 -0.44 1.01 0.31 -0.62 120.40 121.88 1grx s VAL 64 Ca 0.30 -0.58 -0.06 0.00 0.00 0.00 0.00 61.98 61.64 1grx s VAL 64 Cb -0.19 -2.40 0.04 0.00 0.00 0.00 0.00 36.38 33.83 1grx s VAL 64 CO 0.18 0.48 0.81 -0.67 0.00 0.00 0.00 175.10 175.90 1grx n ASP 65 N 4.20 -2.78 -2.89 3.32 2.03 0.21 -0.99 116.55 119.65 1grx n ASP 65 Ca -0.18 -0.81 -0.20 0.00 0.52 0.00 0.00 54.79 54.12 1grx n ASP 65 Cb 0.52 -3.92 0.01 0.00 -0.72 0.00 0.00 41.12 37.00 1grx n ASP 65 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1grx n GLN 66 N -4.47 -3.34 -5.15 -0.67 6.02 -1.26 -5.00 117.38 103.51 1grx n GLN 66 Ca -0.14 0.71 -0.30 0.00 -0.01 0.00 0.00 57.00 57.26 1grx n GLN 66 Cb 0.61 -5.44 -0.16 0.00 1.02 0.00 0.00 30.24 26.27 1grx n GLN 66 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 1grx s GLN 67 N -5.54 2.25 -0.30 -1.09 0.74 -0.16 -5.10 119.66 110.47 1grx s GLN 67 Ca 0.21 -0.82 -0.29 0.00 0.05 0.00 0.00 55.36 54.51 1grx s GLN 67 Cb -0.10 -1.96 -0.02 0.00 1.10 0.00 0.00 33.01 32.03 1grx s GLN 67 CO 0.26 0.37 1.72 -1.58 -0.55 0.00 0.00 175.29 175.52 1grx s HIS 68 N -0.18 1.92 -0.06 1.67 5.65 -1.26 -0.53 115.29 122.50 1grx s HIS 68 Ca -0.01 0.58 -0.02 0.00 0.25 0.00 0.00 55.06 55.86 1grx s HIS 68 Cb -0.12 -4.11 -0.01 0.00 -1.18 0.00 0.00 32.58 27.16 1grx s HIS 68 CO 0.03 -2.93 -0.03 0.82 -0.65 0.00 0.00 174.74 171.97 1grx h ILE 69 N 6.59 0.00 0.00 0.89 1.08 -1.65 -3.48 117.51 120.94 1grx h ILE 69 Ca -0.34 -0.48 0.00 0.00 -0.39 0.00 0.00 64.86 63.66 1grx h ILE 69 Cb 1.16 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.91 1grx h ILE 69 CO 1.02 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 179.09 1grx n GLY 70 N 1.82 1.39 3.85 5.37 0.00 0.23 -4.79 105.19 113.06 1grx n GLY 70 Ca -0.01 -0.90 -0.30 0.00 0.00 0.00 0.00 46.02 44.81 1grx n GLY 70 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1grx s GLY 71 N 0.00 1.68 0.16 -0.02 0.00 -1.26 -1.11 107.32 106.77 1grx s GLY 71 Ca 0.00 -0.96 -0.16 0.00 0.00 0.00 0.00 44.72 43.60 1grx s GLY 71 CO 0.00 -0.25 1.81 -1.82 0.00 0.00 0.00 173.10 172.83 1grx h TYR 72 N -1.66 0.47 -0.41 1.90 5.03 -1.90 0.37 116.97 120.78 1grx h TYR 72 Ca -0.46 0.01 0.04 0.00 2.58 0.00 0.00 58.73 60.91 1grx h TYR 72 Cb 1.28 -0.15 -0.04 0.00 1.55 0.00 0.00 36.73 39.36 1grx h TYR 72 CO -0.81 0.28 0.17 1.79 -1.32 0.00 0.00 178.16 178.27 1grx h THR 73 N 0.51 0.92 -0.27 1.81 1.35 -1.98 0.13 112.91 115.37 1grx h THR 73 Ca 0.16 -0.12 -0.14 0.00 -0.55 0.00 0.00 66.41 65.75 1grx h THR 73 Cb -0.02 0.54 -0.01 0.00 -1.73 0.00 0.00 68.15 66.93 1grx h THR 73 CO -0.06 0.06 -0.42 0.44 -0.25 0.00 0.00 175.52 175.29 1grx h ASP 74 N 0.35 0.71 0.08 5.36 5.19 -1.84 0.24 116.42 126.52 1grx h ASP 74 Ca 0.18 -0.33 -0.00 0.00 -0.62 0.00 0.00 57.03 56.26 1grx h ASP 74 Cb 0.13 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 39.44 1grx h ASP 74 CO -0.16 1.04 -0.04 0.15 -3.12 0.00 0.00 179.24 177.11 1grx h PHE 75 N 0.54 -0.10 -0.66 4.55 3.57 -0.61 0.81 116.94 125.05 1grx h PHE 75 Ca 0.04 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.66 1grx h PHE 75 Cb 0.96 0.03 -0.08 0.00 2.79 0.00 0.00 35.95 39.64 1grx h PHE 75 CO 0.04 0.33 0.23 0.00 -2.23 0.00 0.00 178.31 176.68 1grx h ALA 76 N 0.29 0.87 -0.05 2.41 0.00 -0.64 -0.51 119.26 121.62 1grx h ALA 76 Ca -0.01 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1grx h ALA 76 Cb 0.47 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1grx h ALA 76 CO 0.02 -0.23 0.02 0.00 0.00 0.00 0.00 179.25 179.06 1grx h ALA 77 N 1.48 0.06 0.30 0.00 0.00 -0.34 0.22 119.26 120.99 1grx h ALA 77 Ca 0.35 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1grx h ALA 77 Cb 0.49 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1grx h ALA 77 CO -0.37 -0.46 -0.48 2.35 0.00 0.00 0.00 179.25 180.29 1grx h TRP 78 N 0.04 -1.36 -0.69 0.00 7.01 0.05 -0.72 115.95 120.28 1grx h TRP 78 Ca 0.02 0.02 0.14 0.00 2.11 0.00 0.00 58.89 61.18 1grx h TRP 78 Cb 0.01 0.55 -0.13 0.00 -2.10 0.00 0.00 29.16 27.49 1grx h TRP 78 CO -0.09 -0.61 -0.19 0.28 -2.79 0.00 0.00 178.44 175.04 1grx h VAL 79 N -0.84 0.29 0.00 2.65 2.07 -0.99 0.28 116.25 119.71 1grx h VAL 79 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1grx h VAL 79 Cb 0.79 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1grx h VAL 79 CO -0.17 0.00 0.00 1.17 0.02 0.00 0.00 177.57 178.59 1grx n LYS 80 N -5.47 0.96 0.00 1.57 0.00 0.05 -0.62 118.16 114.66 1grx n LYS 80 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.40 1grx n LYS 80 Cb 0.36 -1.42 0.00 0.00 0.00 0.00 0.00 35.03 33.97 1grx n LYS 80 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1grx n GLU 81 N -0.05 0.00 -0.11 1.64 2.13 0.80 -4.44 120.64 120.61 1grx n GLU 81 Ca 0.00 0.00 -0.23 0.00 0.66 0.00 0.00 57.16 57.59 1grx n GLU 81 Cb 0.21 -0.69 -0.11 0.00 0.27 0.00 0.00 31.44 31.12 1grx n GLU 81 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1grx n ASN 82 N -2.29 1.89 0.00 4.31 0.23 -0.07 -4.63 115.26 114.69 1grx n ASN 82 Ca 0.00 0.39 0.00 0.00 -0.53 0.00 0.00 54.58 54.44 1grx n ASN 82 Cb 0.31 -0.93 0.00 0.00 -2.08 0.00 0.00 39.78 37.08 1grx n ASN 82 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1grx n LEU 83 N -4.35 0.87 -3.46 -4.53 4.77 0.21 -4.64 117.00 105.88 1grx n LEU 83 Ca -0.36 0.03 -0.40 0.00 -0.03 0.00 0.00 56.01 55.25 1grx n LEU 83 Cb 0.74 -0.09 -0.01 0.00 -2.33 0.00 0.00 43.42 41.72 1grx n LEU 83 CO 0.17 -0.09 2.73 -0.67 -1.33 0.00 0.00 177.39 178.20 1grx n ASP 84 N -1.36 7.95 0.00 -1.43 2.03 0.14 -4.98 116.55 118.90 1grx n ASP 84 Ca 0.00 -2.93 0.00 0.00 0.52 0.00 0.00 54.79 52.38 1grx n ASP 84 Cb 0.00 -1.45 0.00 0.00 -0.72 0.00 0.00 41.12 38.95 1grx n ASP 84 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28