#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gdx n GLY 2 N 0.00 1.10 0.26 -5.12 0.00 -1.26 -4.75 105.19 95.41 2gdx n GLY 2 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 2gdx n GLY 2 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2gdx h VAL 3 N 0.00 0.00 -2.18 1.61 -1.51 -1.98 -3.44 116.25 108.76 2gdx h VAL 3 Ca -0.33 0.00 -0.60 0.00 -1.23 0.00 0.00 66.70 64.54 2gdx h VAL 3 Cb 1.07 0.49 0.17 0.00 -2.13 0.00 0.00 31.29 30.88 2gdx h VAL 3 CO 0.46 0.00 -0.89 0.35 -1.23 0.00 0.00 177.57 176.26 2gdx n THR 4 N -2.50 0.75 -1.66 7.19 -2.24 -1.26 -4.60 114.28 109.95 2gdx n THR 4 Ca -0.01 -0.50 -0.61 0.00 -2.27 0.00 0.00 64.05 60.65 2gdx n THR 4 Cb 0.35 -0.19 -0.09 0.00 -2.10 0.00 0.00 70.33 68.30 2gdx n THR 4 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2gdx n GLU 5 N 1.06 0.62 -2.86 -0.78 4.71 -1.26 -4.74 120.64 117.39 2gdx n GLU 5 Ca 0.10 0.22 -0.41 0.00 -0.01 0.00 0.00 57.16 57.06 2gdx n GLU 5 Cb 0.45 -1.85 -0.04 0.00 -1.01 0.00 0.00 31.44 28.99 2gdx n GLU 5 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2gdx s ALA 6 N 3.87 3.24 -0.75 0.62 0.00 0.04 -4.93 121.76 123.85 2gdx s ALA 6 Ca 1.04 0.36 0.03 0.00 0.00 0.00 0.00 51.96 53.39 2gdx s ALA 6 Cb -1.25 -3.17 0.21 0.00 0.00 0.00 0.00 23.12 18.91 2gdx s ALA 6 CO 0.71 -0.17 0.85 1.04 0.00 0.00 0.00 175.76 178.19 2gdx n GLN 7 N 3.83 1.97 -2.41 0.00 1.13 -1.26 -3.93 117.38 116.70 2gdx n GLN 7 Ca 0.03 -0.81 -0.21 0.00 -1.94 0.00 0.00 57.00 54.07 2gdx n GLN 7 Cb 0.51 -1.67 0.02 0.00 0.11 0.00 0.00 30.24 29.21 2gdx n GLN 7 CO 0.00 0.00 0.00 0.98 -1.44 0.00 0.00 177.06 176.60 2gdx n TYR 8 N 0.16 2.66 1.68 1.08 9.36 -1.26 -4.78 117.16 126.06 2gdx n TYR 8 Ca 0.08 -2.70 0.12 0.00 3.32 0.00 0.00 57.90 58.71 2gdx n TYR 8 Cb 0.52 -0.22 0.56 0.00 -0.63 0.00 0.00 39.34 39.57 2gdx n TYR 8 CO 0.00 0.00 0.00 1.55 0.22 0.00 0.00 176.86 178.63 2gdx n VAL 9 N -0.50 0.07 -1.86 2.97 3.14 -1.25 -3.36 118.33 117.54 2gdx n VAL 9 Ca 0.33 -0.15 -0.43 0.00 -2.96 0.00 0.00 64.34 61.13 2gdx n VAL 9 Cb 0.79 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 33.54 2gdx n VAL 9 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2gdx s ALA 10 N -1.93 2.84 0.39 1.55 0.00 -1.26 -4.88 121.76 118.47 2gdx s ALA 10 Ca 0.34 0.48 -0.03 0.00 0.00 0.00 0.00 51.96 52.75 2gdx s ALA 10 Cb 0.17 -4.03 -0.04 0.00 0.00 0.00 0.00 23.12 19.22 2gdx s ALA 10 CO 0.27 -2.65 0.65 -1.25 0.00 0.00 0.00 175.76 172.78 2gdx s PRO 11 N 5.86 3.54 -0.18 0.00 0.04 -1.26 -4.91 135.00 138.09 2gdx s PRO 11 Ca 0.87 -0.05 -0.11 0.00 0.04 0.00 0.00 61.00 61.75 2gdx s PRO 11 Cb -0.27 -2.54 -0.21 0.00 0.04 0.00 0.00 34.50 31.52 2gdx s PRO 11 CO 0.34 0.02 0.18 2.41 0.04 0.00 0.00 177.00 179.99 2gdx n THR 12 N -1.81 1.65 -4.42 1.26 -1.04 -1.26 -4.97 114.28 103.68 2gdx n THR 12 Ca -0.02 -0.42 -0.26 0.00 -2.04 0.00 0.00 64.05 61.32 2gdx n THR 12 Cb 0.55 -1.81 -0.11 0.00 -1.82 0.00 0.00 70.33 67.14 2gdx n THR 12 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 2gdx s ASN 13 N -6.97 3.63 0.53 8.00 3.84 -1.26 -5.02 114.94 117.69 2gdx s ASN 13 Ca -0.28 -0.88 0.22 0.00 0.21 0.00 0.00 52.86 52.13 2gdx s ASN 13 Cb 0.07 -0.35 1.37 0.00 -0.55 0.00 0.00 41.25 41.80 2gdx s ASN 13 CO 0.66 0.09 2.08 0.00 -2.79 0.00 0.00 177.10 177.14 2gdx h ALA 14 N 2.81 2.19 -0.56 1.71 0.00 -1.99 -1.45 119.26 121.96 2gdx h ALA 14 Ca -0.44 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 2gdx h ALA 14 Cb 1.23 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 2gdx h ALA 14 CO 0.53 -0.31 0.11 0.28 0.00 0.00 0.00 179.25 179.86 2gdx h VAL 15 N 0.00 1.25 -0.36 0.00 2.07 -1.99 -1.51 116.25 115.71 2gdx h VAL 15 Ca 0.12 -0.93 -0.14 0.00 0.82 0.00 0.00 66.70 66.57 2gdx h VAL 15 Cb 0.49 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 2gdx h VAL 15 CO -0.00 0.34 -0.35 -0.33 0.02 0.00 0.00 177.57 177.25 2gdx h GLU 16 N 0.82 0.82 -0.58 1.57 5.08 -1.69 -1.82 114.58 118.78 2gdx h GLU 16 Ca 0.17 -0.40 -0.06 0.00 -1.00 0.00 0.00 59.36 58.08 2gdx h GLU 16 Cb 0.38 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 2gdx h GLU 16 CO 0.01 1.04 0.15 0.77 -1.00 0.00 0.00 179.01 179.97 2gdx h SER 17 N 0.68 0.87 -0.06 1.42 0.02 -1.29 -1.12 113.55 114.07 2gdx h SER 17 Ca 0.07 -0.23 -0.02 0.00 -0.84 0.00 0.00 61.79 60.77 2gdx h SER 17 Cb 0.90 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 63.21 2gdx h SER 17 CO 0.08 0.87 -0.03 0.11 -1.14 0.00 0.00 176.83 176.73 2gdx h LYS 18 N 0.83 0.12 -0.33 3.45 1.57 -1.21 -1.20 116.57 119.80 2gdx h LYS 18 Ca 0.18 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.93 2gdx h LYS 18 Cb 0.34 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 2gdx h LYS 18 CO 0.00 0.49 0.17 -0.07 -0.57 0.00 0.00 179.45 179.48 2gdx h LEU 19 N -0.25 0.27 -1.09 2.94 4.07 -1.30 -1.35 115.31 118.58 2gdx h LEU 19 Ca 0.01 0.01 -0.06 0.00 0.08 0.00 0.00 57.88 57.92 2gdx h LEU 19 Cb 0.46 -0.04 -0.02 0.00 1.08 0.00 0.00 40.66 42.13 2gdx h LEU 19 CO 0.01 0.20 -0.04 0.00 -1.08 0.00 0.00 178.44 177.52 2gdx h ALA 20 N 1.16 1.25 0.12 1.53 0.00 -1.22 -1.46 119.26 120.64 2gdx h ALA 20 Ca 0.13 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2gdx h ALA 20 Cb 0.03 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2gdx h ALA 20 CO -0.08 0.50 -0.06 1.49 0.00 0.00 0.00 179.25 181.10 2gdx h GLU 21 N 0.56 -0.16 -0.27 0.00 4.81 -0.69 -0.40 114.58 118.43 2gdx h GLU 21 Ca 0.11 0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.26 2gdx h GLU 21 Cb 0.42 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 2gdx h GLU 21 CO 0.02 0.15 -0.21 0.82 -0.73 0.00 0.00 179.01 179.05 2gdx h ILE 22 N -0.46 1.26 0.02 2.32 2.04 -1.21 -2.53 117.51 118.93 2gdx h ILE 22 Ca -0.02 -1.20 -0.16 0.00 1.00 0.00 0.00 64.86 64.49 2gdx h ILE 22 Cb 0.38 1.29 0.01 0.00 -0.74 0.00 0.00 36.82 37.76 2gdx h ILE 22 CO 0.03 0.38 -0.64 -0.50 0.00 0.00 0.00 178.15 177.42 2gdx h TRP 23 N 0.44 0.61 -0.16 1.37 4.06 -1.25 -2.56 115.95 118.46 2gdx h TRP 23 Ca 0.07 -0.34 0.00 0.00 2.06 0.00 0.00 58.89 60.68 2gdx h TRP 23 Cb 0.62 -0.06 0.00 0.00 -1.00 0.00 0.00 29.16 28.71 2gdx h TRP 23 CO 0.02 1.17 0.00 -0.85 -3.56 0.00 0.00 178.44 175.22 2gdx n GLU 24 N -4.20 1.38 -0.00 0.49 0.28 -0.16 -1.46 120.64 116.96 2gdx n GLU 24 Ca -0.11 -0.60 0.01 0.00 -0.16 0.00 0.00 57.16 56.30 2gdx n GLU 24 Cb 0.70 -1.14 -0.01 0.00 1.43 0.00 0.00 31.44 32.41 2gdx n GLU 24 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 2gdx n ARG 25 N -0.03 0.70 -0.02 3.44 0.63 -0.96 -0.23 116.66 120.19 2gdx n ARG 25 Ca 0.06 -0.01 0.01 0.00 -0.92 0.00 0.00 57.85 56.99 2gdx n ARG 25 Cb 0.14 -1.04 -0.09 0.00 0.45 0.00 0.00 32.46 31.93 2gdx n ARG 25 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 2gdx n VAL 26 N -1.65 0.30 0.04 5.15 0.31 -0.97 -4.65 118.33 116.87 2gdx n VAL 26 Ca -0.01 -0.34 -0.00 0.00 -0.01 0.00 0.00 64.34 63.98 2gdx n VAL 26 Cb 0.13 -0.15 -0.00 0.00 -0.91 0.00 0.00 33.84 32.91 2gdx n VAL 26 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2gdx n LEU 27 N -2.10 0.98 0.47 7.52 4.32 -0.54 -4.90 117.00 122.75 2gdx n LEU 27 Ca -0.08 0.12 -0.19 0.00 -0.02 0.00 0.00 56.01 55.84 2gdx n LEU 27 Cb 0.52 -0.30 -0.09 0.00 -1.62 0.00 0.00 43.42 41.93 2gdx n LEU 27 CO 0.24 -0.72 0.51 1.23 -1.22 0.00 0.00 177.39 177.43 2gdx h GLY 28 N -0.01 -1.26 -0.28 -0.72 0.00 -1.54 -3.46 103.07 95.80 2gdx h GLY 28 Ca 0.00 0.47 -0.11 0.00 0.00 0.00 0.00 47.33 47.69 2gdx h GLY 28 CO 0.00 -0.46 -0.10 -0.62 0.00 0.00 0.00 176.54 175.36 2gdx n VAL 29 N -5.58 0.00 -0.01 4.60 0.31 0.68 -4.80 118.33 113.52 2gdx n VAL 29 Ca -0.15 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.17 2gdx n VAL 29 Cb 0.48 -1.21 -0.00 0.00 -0.91 0.00 0.00 33.84 32.19 2gdx n VAL 29 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2gdx n SER 30 N -0.94 0.27 0.00 4.52 7.64 -1.25 -5.02 113.62 118.83 2gdx n SER 30 Ca -0.05 0.09 0.00 0.00 1.01 0.00 0.00 58.87 59.91 2gdx n SER 30 Cb 0.53 -0.54 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 2gdx n SER 30 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2gdx n GLY 31 N 1.53 0.00 1.23 0.23 0.00 -1.26 -4.54 105.19 102.38 2gdx n GLY 31 Ca -0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 2gdx n GLY 31 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2gdx n ILE 32 N 0.00 0.00 0.00 -0.61 -5.35 -1.26 -0.78 119.36 111.35 2gdx n ILE 32 Ca 0.00 -0.44 0.00 0.00 -0.27 0.00 0.00 62.75 62.04 2gdx n ILE 32 Cb 0.00 -1.42 0.00 0.00 -1.74 0.00 0.00 39.64 36.48 2gdx n ILE 32 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2gdx n GLY 33 N 2.47 -0.65 2.82 3.28 0.00 -1.26 -4.81 105.19 107.03 2gdx n GLY 33 Ca 0.05 0.62 -0.38 0.00 0.00 0.00 0.00 46.02 46.32 2gdx n GLY 33 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2gdx n ILE 34 N 0.00 3.40 -0.40 -0.61 2.08 -1.21 -4.38 119.36 118.24 2gdx n ILE 34 Ca 0.00 -4.34 0.00 0.00 0.56 0.00 0.00 62.75 58.97 2gdx n ILE 34 Cb 0.00 -1.24 0.00 0.00 -0.75 0.00 0.00 39.64 37.65 2gdx n ILE 34 CO 0.00 0.00 0.00 -0.11 0.56 0.00 0.00 176.55 177.00 2gdx n LEU 35 N -0.55 1.19 -1.12 1.39 0.00 -1.26 -5.02 117.00 111.64 2gdx n LEU 35 Ca 0.52 -1.19 0.01 0.00 0.00 0.00 0.00 56.01 55.35 2gdx n LEU 35 Cb 0.32 0.00 -0.01 0.00 0.00 0.00 0.00 43.42 43.74 2gdx n LEU 35 CO 0.49 0.30 -0.36 -0.67 0.00 0.00 0.00 177.39 177.16 2gdx n ASP 36 N -0.30 -6.02 0.00 1.96 2.03 -1.26 -5.09 116.55 107.87 2gdx n ASP 36 Ca 0.00 1.32 0.00 0.00 0.52 0.00 0.00 54.79 56.63 2gdx n ASP 36 Cb 0.35 -3.36 0.00 0.00 -0.72 0.00 0.00 41.12 37.38 2gdx n ASP 36 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 2gdx n ASN 37 N -2.40 0.00 -0.00 1.67 6.94 -1.26 -4.95 115.26 115.25 2gdx n ASN 37 Ca -0.01 0.00 -0.00 0.00 -0.02 0.00 0.00 54.58 54.55 2gdx n ASN 37 Cb 0.36 0.00 -0.00 0.00 -2.36 0.00 0.00 39.78 37.78 2gdx n ASN 37 CO 0.00 0.00 0.00 2.22 -1.03 0.00 0.00 177.26 178.45 2gdx n PHE 38 N 0.00 0.00 0.00 -2.53 1.16 -1.26 -4.89 117.46 109.94 2gdx n PHE 38 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 2gdx n PHE 38 Cb 0.00 -0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 2gdx n PHE 38 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 2gdx n PHE 39 N -1.91 0.00 -2.27 2.97 7.35 -1.26 -3.37 117.46 118.97 2gdx n PHE 39 Ca -0.00 0.00 -0.34 0.00 -0.76 0.00 0.00 57.45 56.35 2gdx n PHE 39 Cb 0.41 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.20 2gdx n PHE 39 CO 0.00 0.00 0.00 -0.65 -0.76 0.00 0.00 176.76 175.35 2gdx s GLN 40 N -0.04 3.06 0.00 -4.13 1.11 -1.26 -3.50 119.66 114.90 2gdx s GLN 40 Ca 0.00 -1.31 0.00 0.00 0.01 0.00 0.00 55.36 54.06 2gdx s GLN 40 Cb 0.00 -5.32 0.00 0.00 -1.01 0.00 0.00 33.01 26.68 2gdx s GLN 40 CO 0.00 -3.22 0.00 1.51 0.01 0.00 0.00 175.29 173.59 2gdx n ILE 41 N 7.30 0.00 0.00 1.08 0.13 -1.19 -4.42 119.36 122.26 2gdx n ILE 41 Ca 0.44 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 62.09 2gdx n ILE 41 Cb 0.47 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 39.27 2gdx n ILE 41 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 2gdx n GLY 42 N -0.65 0.09 3.66 4.50 0.00 -1.23 -4.75 105.19 106.81 2gdx n GLY 42 Ca 0.00 -0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2gdx n GLY 42 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2gdx s GLY 43 N 0.00 1.52 -0.35 -0.02 0.00 -1.22 -4.70 107.32 102.55 2gdx s GLY 43 Ca 0.00 1.06 0.07 0.00 0.00 0.00 0.00 44.72 45.84 2gdx s GLY 43 CO 0.00 3.13 1.80 -2.39 0.00 0.00 0.00 173.10 175.64 2gdx n HIS 44 N 7.10 2.58 0.00 1.90 1.44 -1.26 -4.78 115.22 122.20 2gdx n HIS 44 Ca 0.18 -1.39 0.00 0.00 -2.01 0.00 0.00 57.72 54.49 2gdx n HIS 44 Cb 0.42 -0.76 0.00 0.00 0.12 0.00 0.00 29.99 29.77 2gdx n HIS 44 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 2gdx n SER 45 N -0.48 0.00 -1.56 4.39 7.64 -1.26 -4.50 113.62 117.85 2gdx n SER 45 Ca 0.46 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.34 2gdx n SER 45 Cb 1.45 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.65 2gdx n SER 45 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2gdx n LEU 46 N 0.00 0.34 -4.90 -3.43 4.77 -1.26 -5.04 117.00 107.47 2gdx n LEU 46 Ca 0.00 -2.17 -0.20 0.00 -0.03 0.00 0.00 56.01 53.61 2gdx n LEU 46 Cb 0.00 0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 41.12 2gdx n LEU 46 CO 0.00 0.91 0.03 -0.54 -1.33 0.00 0.00 177.39 176.46 2gdx s LYS 47 N -0.38 2.61 0.32 3.23 -0.14 -1.26 -5.02 119.74 119.10 2gdx s LYS 47 Ca 0.22 -1.45 0.03 0.00 -1.36 0.00 0.00 55.97 53.41 2gdx s LYS 47 Cb 0.27 -2.47 0.56 0.00 -1.68 0.00 0.00 37.83 34.51 2gdx s LYS 47 CO -0.10 -0.19 1.87 0.00 -0.76 0.00 0.00 175.35 176.17 2gdx h ALA 48 N 0.96 1.35 -0.30 5.17 0.00 -1.99 -2.14 119.26 122.31 2gdx h ALA 48 Ca -0.41 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.34 2gdx h ALA 48 Cb 1.27 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 2gdx h ALA 48 CO 0.55 0.46 0.20 1.98 0.00 0.00 0.00 179.25 182.44 2gdx h MET 49 N 0.60 0.26 -0.03 0.00 -1.53 -1.98 -0.77 114.93 111.49 2gdx h MET 49 Ca 0.13 -0.02 -0.07 0.00 -3.44 0.00 0.00 59.70 56.31 2gdx h MET 49 Cb 0.29 -0.06 0.00 0.00 -0.55 0.00 0.00 31.60 31.28 2gdx h MET 49 CO 0.00 0.18 -0.25 0.00 0.14 0.00 0.00 176.91 176.98 2gdx h ALA 50 N 1.83 0.07 -0.59 0.39 0.00 -1.68 -2.81 119.26 116.47 2gdx h ALA 50 Ca 0.12 -0.44 0.07 0.00 0.00 0.00 0.00 54.91 54.66 2gdx h ALA 50 Cb 0.16 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 2gdx h ALA 50 CO -0.03 0.09 0.39 0.28 0.00 0.00 0.00 179.25 179.99 2gdx h VAL 51 N -0.38 0.98 -0.45 0.00 2.07 -1.15 -0.72 116.25 116.60 2gdx h VAL 51 Ca -0.02 -0.18 -0.06 0.00 0.82 0.00 0.00 66.70 67.25 2gdx h VAL 51 Cb 0.95 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 2gdx h VAL 51 CO 0.05 0.10 0.05 0.00 0.02 0.00 0.00 177.57 177.79 2gdx h ALA 52 N 1.68 0.59 0.00 1.67 0.00 -1.15 -1.68 119.26 120.39 2gdx h ALA 52 Ca 0.26 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2gdx h ALA 52 Cb 0.32 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2gdx h ALA 52 CO -0.07 0.34 -0.22 0.00 0.00 0.00 0.00 179.25 179.30 2gdx h ALA 53 N 0.93 1.29 -0.11 0.00 0.00 -0.95 0.38 119.26 120.81 2gdx h ALA 53 Ca 0.13 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 2gdx h ALA 53 Cb 0.41 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2gdx h ALA 53 CO 0.01 0.27 -0.38 1.96 0.00 0.00 0.00 179.25 181.11 2gdx h GLN 54 N 0.00 0.45 0.00 0.00 4.20 -0.68 -3.17 115.11 115.91 2gdx h GLN 54 Ca -0.00 -0.34 -0.11 0.00 0.06 0.00 0.00 58.65 58.26 2gdx h GLN 54 Cb 0.50 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.33 2gdx h GLN 54 CO 0.03 0.96 -0.54 0.28 -0.67 0.00 0.00 178.83 178.90 2gdx h VAL 55 N 0.03 1.04 0.00 -0.54 2.07 -1.09 0.11 116.25 117.87 2gdx h VAL 55 Ca -0.02 -2.13 0.00 0.00 0.82 0.00 0.00 66.70 65.37 2gdx h VAL 55 Cb 1.01 2.28 0.00 0.00 -1.52 0.00 0.00 31.29 33.06 2gdx h VAL 55 CO 0.08 0.53 0.00 1.57 0.02 0.00 0.00 177.57 179.77 2gdx n HIS 56 N -3.39 0.00 -0.68 1.57 -0.00 0.10 -2.96 115.22 109.86 2gdx n HIS 56 Ca 0.01 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.19 2gdx n HIS 56 Cb 0.67 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.54 2gdx n HIS 56 CO 0.00 0.00 0.00 -2.13 0.46 0.00 0.00 176.34 174.67 2gdx n ARG 57 N -0.87 0.74 -2.71 1.57 3.00 -1.14 -5.03 116.66 112.22 2gdx n ARG 57 Ca 0.15 -0.71 -0.09 0.00 -0.00 0.00 0.00 57.85 57.20 2gdx n ARG 57 Cb 0.07 -0.66 0.05 0.00 0.00 0.00 0.00 32.46 31.92 2gdx n ARG 57 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2gdx n GLU 58 N -0.13 -2.88 -2.80 -0.14 2.13 -1.14 -4.45 120.64 111.23 2gdx n GLU 58 Ca 0.00 0.50 -0.02 0.00 0.66 0.00 0.00 57.16 58.30 2gdx n GLU 58 Cb 0.38 -4.29 0.00 0.00 0.27 0.00 0.00 31.44 27.80 2gdx n GLU 58 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 2gdx n TYR 59 N -2.70 -3.55 0.18 4.31 4.01 0.37 -4.88 117.16 114.90 2gdx n TYR 59 Ca -0.12 1.55 0.02 0.00 -0.16 0.00 0.00 57.90 59.19 2gdx n TYR 59 Cb 0.59 -3.72 0.34 0.00 -0.31 0.00 0.00 39.34 36.24 2gdx n TYR 59 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 2gdx h GLN 60 N 2.93 0.01 0.00 -0.72 4.20 -1.78 -3.46 115.11 116.30 2gdx h GLN 60 Ca -0.01 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.69 2gdx h GLN 60 Cb 0.28 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.05 2gdx h GLN 60 CO 0.11 0.39 0.00 0.28 -0.67 0.00 0.00 178.83 178.94 2gdx n VAL 61 N -4.08 0.00 0.00 -0.54 0.31 -1.26 -3.97 118.33 108.79 2gdx n VAL 61 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 2gdx n VAL 61 Cb 0.42 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.35 2gdx n VAL 61 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2gdx n GLU 62 N 0.00 0.00 -3.88 5.55 -0.58 -1.26 -5.00 120.64 115.47 2gdx n GLU 62 Ca 0.00 0.00 -0.36 0.00 -0.42 0.00 0.00 57.16 56.38 2gdx n GLU 62 Cb 0.00 -0.10 -0.07 0.00 -0.57 0.00 0.00 31.44 30.70 2gdx n GLU 62 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2gdx s LEU 63 N -1.27 4.18 -1.21 -4.62 1.43 -1.25 -4.97 118.68 110.97 2gdx s LEU 63 Ca 0.00 0.31 -0.06 0.00 -1.03 0.00 0.00 54.13 53.35 2gdx s LEU 63 Cb 0.00 -2.04 0.06 0.00 0.03 0.00 0.00 46.19 44.24 2gdx s LEU 63 CO 0.00 0.30 2.58 -0.81 0.23 0.00 0.00 176.35 178.64 2gdx n PRO 64 N 2.74 4.08 -1.66 1.29 -0.04 -1.26 -4.82 135.00 135.33 2gdx n PRO 64 Ca -0.18 -3.02 -0.47 0.00 -0.04 0.00 0.00 63.50 59.78 2gdx n PRO 64 Cb 0.53 -2.57 -0.04 0.00 -0.04 0.00 0.00 33.50 31.38 2gdx n PRO 64 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2gdx n LEU 65 N 1.94 3.51 -3.19 1.53 7.94 -1.26 -3.57 117.00 123.90 2gdx n LEU 65 Ca 0.63 0.90 -0.19 0.00 -1.11 0.00 0.00 56.01 56.24 2gdx n LEU 65 Cb 0.31 -1.40 0.02 0.00 0.53 0.00 0.00 43.42 42.88 2gdx n LEU 65 CO 0.65 -0.07 -0.28 0.29 -1.11 0.00 0.00 177.39 176.87 2gdx n LYS 66 N 6.99 -1.86 0.00 1.96 5.02 -1.23 -4.93 118.16 124.10 2gdx n LYS 66 Ca 0.23 1.61 0.00 0.00 -2.02 0.00 0.00 58.31 58.14 2gdx n LYS 66 Cb 0.32 -3.05 0.00 0.00 -0.02 0.00 0.00 35.03 32.27 2gdx n LYS 66 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 2gdx n VAL 67 N 0.23 0.00 0.00 -0.18 3.14 -1.24 -5.05 118.33 115.22 2gdx n VAL 67 Ca -0.01 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.37 2gdx n VAL 67 Cb 0.51 -0.05 0.00 0.00 -1.06 0.00 0.00 33.84 33.24 2gdx n VAL 67 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 2gdx n LEU 68 N -1.93 0.00 -0.10 6.55 7.94 -1.26 -4.78 117.00 123.42 2gdx n LEU 68 Ca 0.00 0.00 -0.19 0.00 -1.11 0.00 0.00 56.01 54.71 2gdx n LEU 68 Cb 0.00 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 43.86 2gdx n LEU 68 CO 0.00 0.00 -0.63 0.49 -1.11 0.00 0.00 177.39 176.14 2gdx n PHE 69 N -0.56 0.80 -1.50 1.96 3.72 -1.26 -4.61 117.46 116.01 2gdx n PHE 69 Ca 0.00 0.34 -0.42 0.00 -0.05 0.00 0.00 57.45 57.33 2gdx n PHE 69 Cb 0.00 -0.98 -0.04 0.00 -0.94 0.00 0.00 39.48 37.52 2gdx n PHE 69 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2gdx n ALA 70 N -3.64 3.86 0.00 4.37 0.00 -1.23 -3.15 120.51 120.72 2gdx n ALA 70 Ca -0.29 -3.49 0.00 0.00 0.00 0.00 0.00 53.44 49.66 2gdx n ALA 70 Cb 0.61 -3.59 0.00 0.00 0.00 0.00 0.00 19.45 16.47 2gdx n ALA 70 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2gdx n GLN 71 N 6.94 0.00 -0.45 0.00 1.13 -1.26 -3.54 117.38 120.19 2gdx n GLN 71 Ca 0.50 0.00 -0.01 0.00 -1.94 0.00 0.00 57.00 55.55 2gdx n GLN 71 Cb 0.41 0.00 -0.02 0.00 0.11 0.00 0.00 30.24 30.74 2gdx n GLN 71 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 2gdx n PRO 72 N 0.00 0.91 -2.81 -1.09 -0.04 -1.26 -4.15 135.00 126.56 2gdx n PRO 72 Ca 0.00 -0.11 -0.08 0.00 -0.04 0.00 0.00 63.50 63.27 2gdx n PRO 72 Cb 0.00 -1.21 0.02 0.00 -0.04 0.00 0.00 33.50 32.27 2gdx n PRO 72 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2gdx n THR 73 N 1.74 -0.10 -0.34 0.52 -1.04 -1.26 -4.99 114.28 108.81 2gdx n THR 73 Ca 0.05 -1.53 0.05 0.00 -2.04 0.00 0.00 64.05 60.58 2gdx n THR 73 Cb 0.45 0.95 0.21 0.00 -1.82 0.00 0.00 70.33 70.11 2gdx n THR 73 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 2gdx h ILE 74 N 3.83 0.93 -0.07 12.58 5.03 -1.89 -0.77 117.51 137.16 2gdx h ILE 74 Ca -0.03 -0.33 -0.03 0.00 -0.12 0.00 0.00 64.86 64.36 2gdx h ILE 74 Cb 1.05 -0.10 -0.01 0.00 -3.03 0.00 0.00 36.82 34.73 2gdx h ILE 74 CO 0.21 0.17 -0.07 0.07 -0.68 0.00 0.00 178.15 177.85 2gdx h LYS 75 N 0.95 0.10 -0.06 2.37 5.09 -1.95 0.17 116.57 123.25 2gdx h LYS 75 Ca 0.46 -0.02 -0.01 0.00 0.09 0.00 0.00 60.65 61.18 2gdx h LYS 75 Cb 0.41 -0.02 -0.00 0.00 0.10 0.00 0.00 32.23 32.72 2gdx h LYS 75 CO -0.25 0.19 0.00 0.00 -2.09 0.00 0.00 179.45 177.30 2gdx h ALA 76 N 1.83 0.08 0.00 0.07 0.00 -1.56 -2.85 119.26 116.82 2gdx h ALA 76 Ca 0.02 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 2gdx h ALA 76 Cb 0.20 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2gdx h ALA 76 CO 0.01 -0.26 -0.47 -0.07 0.00 0.00 0.00 179.25 178.46 2gdx h LEU 77 N -0.18 0.00 -1.52 0.00 3.38 -1.30 -3.05 115.31 112.63 2gdx h LEU 77 Ca 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 2gdx h LEU 77 Cb 0.32 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2gdx h LEU 77 CO 0.00 0.47 0.24 0.00 0.09 0.00 0.00 178.44 179.24 2gdx h ALA 78 N 1.53 1.64 -0.54 1.53 0.00 -0.51 0.26 119.26 123.17 2gdx h ALA 78 Ca -0.00 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 2gdx h ALA 78 Cb 1.00 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 2gdx h ALA 78 CO 0.06 0.31 0.08 0.00 0.00 0.00 0.00 179.25 179.70 2gdx n GLN 79 N -4.44 3.99 0.00 0.00 10.64 -1.09 -1.74 117.38 124.74 2gdx n GLN 79 Ca 0.03 -3.08 0.00 0.00 -1.83 0.00 0.00 57.00 52.12 2gdx n GLN 79 Cb 0.09 -2.14 0.00 0.00 -0.86 0.00 0.00 30.24 27.32 2gdx n GLN 79 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 2gdx n TYR 80 N 0.06 -0.01 -0.05 2.61 4.01 -0.54 -4.80 117.16 118.44 2gdx n TYR 80 Ca 0.30 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.85 2gdx n TYR 80 Cb 1.18 0.25 -0.13 0.00 -0.31 0.00 0.00 39.34 40.33 2gdx n TYR 80 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2gdx n VAL 81 N -2.51 1.66 0.38 -0.72 0.31 -0.07 -4.18 118.33 113.20 2gdx n VAL 81 Ca 0.00 -0.64 0.14 0.00 -0.01 0.00 0.00 64.34 63.83 2gdx n VAL 81 Cb 0.00 -1.55 0.51 0.00 -0.91 0.00 0.00 33.84 31.88 2gdx n VAL 81 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2gdx h ALA 82 N 0.11 1.00 -0.31 3.52 0.00 -1.28 -2.93 119.26 119.37 2gdx h ALA 82 Ca -0.48 0.00 0.09 0.00 0.00 0.00 0.00 54.91 54.52 2gdx h ALA 82 Cb 1.99 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.77 2gdx h ALA 82 CO 0.02 0.00 0.28 1.15 0.00 0.00 0.00 179.25 180.70 2gdx h THR 83 N 0.00 0.60 0.00 0.00 2.02 -1.50 -3.44 112.91 110.58 2gdx h THR 83 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2gdx h THR 83 Cb 0.53 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 67.73 2gdx h THR 83 CO 0.00 0.00 0.00 -1.14 0.37 0.00 0.00 175.52 174.75 2gdx n ARG 84 N -4.05 0.00 0.00 6.66 0.00 -1.11 -5.05 116.66 113.10 2gdx n ARG 84 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.90 2gdx n ARG 84 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.90 2gdx n ARG 84 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50