#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 0.95 2.15 -5.12 0.00 -1.26 -4.97 105.19 96.94 2gdx n GLY 2 Ca 0.00 -0.42 -0.20 0.00 0.00 0.00 0.00 46.02 45.39 2gdx n GLY 2 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2gdx n VAL 3 N -2.35 3.40 -0.02 1.61 0.24 -1.26 -3.46 118.33 116.48 2gdx n VAL 3 Ca 0.00 -2.03 -0.03 0.00 -2.04 0.00 0.00 64.34 60.24 2gdx n VAL 3 Cb 0.07 -2.07 -0.02 0.00 -1.47 0.00 0.00 33.84 30.36 2gdx n VAL 3 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2gdx n THR 4 N 2.45 0.25 -3.61 3.34 -1.04 -1.26 -4.95 114.28 109.46 2gdx n THR 4 Ca 0.52 -0.11 -0.06 0.00 -2.04 0.00 0.00 64.05 62.36 2gdx n THR 4 Cb 0.71 -0.71 -0.08 0.00 -1.82 0.00 0.00 70.33 68.43 2gdx n THR 4 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2gdx s GLU 5 N -2.09 0.40 0.00 -2.82 2.02 -1.22 -3.95 118.70 111.03 2gdx s GLU 5 Ca -0.05 1.10 0.00 0.00 0.02 0.00 0.00 54.97 56.04 2gdx s GLU 5 Cb 0.01 0.42 0.00 0.00 0.10 0.00 0.00 34.13 34.66 2gdx s GLU 5 CO 0.11 -0.28 0.00 0.00 0.02 0.00 0.00 175.26 175.11 2gdx n ALA 6 N 5.41 0.01 0.08 5.21 0.00 0.12 -5.02 120.51 126.32 2gdx n ALA 6 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2gdx n ALA 6 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 2gdx n ALA 6 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2gdx n GLN 7 N 0.00 0.00 0.00 0.00 6.02 -1.26 -5.01 117.38 117.13 2gdx n GLN 7 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2gdx n GLN 7 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 2gdx n GLN 7 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 2gdx n TYR 8 N -3.05 0.00 -3.67 1.08 9.36 -1.26 -4.80 117.16 114.82 2gdx n TYR 8 Ca 0.00 0.00 -0.26 0.00 3.32 0.00 0.00 57.90 60.96 2gdx n TYR 8 Cb 0.00 -0.11 -0.04 0.00 -0.63 0.00 0.00 39.34 38.57 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 -1.22 -0.30 -3.64 2.97 3.14 -0.13 -4.89 118.33 114.25 2gdx n VAL 9 Ca 0.00 0.00 -0.28 0.00 -2.96 0.00 0.00 64.34 61.10 2gdx n VAL 9 Cb 0.00 -0.76 -0.12 0.00 -1.06 0.00 0.00 33.84 31.91 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 -2.82 2.23 0.27 1.55 0.00 -1.26 -5.05 121.76 116.68 2gdx s ALA 10 Ca 0.49 -2.80 -0.30 0.00 0.00 0.00 0.00 51.96 49.34 2gdx s ALA 10 Cb -0.28 -1.84 -0.12 0.00 0.00 0.00 0.00 23.12 20.88 2gdx s ALA 10 CO 0.60 -2.05 1.63 -2.30 0.00 0.00 0.00 175.76 173.65 2gdx n PRO 11 N 2.97 2.72 -0.00 0.00 -0.02 -1.26 -4.94 135.00 134.46 2gdx n PRO 11 Ca 0.18 0.97 -0.17 0.00 -2.02 0.00 0.00 63.50 62.47 2gdx n PRO 11 Cb 0.39 -2.77 -0.12 0.00 -0.02 0.00 0.00 33.50 30.98 2gdx n PRO 11 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 2gdx h THR 12 N 3.45 1.51 -3.13 3.45 2.02 -1.99 -3.45 112.91 114.78 2gdx h THR 12 Ca -0.46 -2.13 -0.51 0.00 0.77 0.00 0.00 66.41 64.08 2gdx h THR 12 Cb 1.22 2.82 -0.40 0.00 -1.74 0.00 0.00 68.15 70.05 2gdx h THR 12 CO 0.83 0.60 -0.76 0.21 0.37 0.00 0.00 175.52 176.77 2gdx s ASN 13 N -6.59 2.99 0.00 4.18 2.47 -1.26 -5.04 114.94 111.70 2gdx s ASN 13 Ca -0.15 -0.93 0.00 0.00 0.42 0.00 0.00 52.86 52.20 2gdx s ASN 13 Cb 0.02 -0.50 0.00 0.00 -1.45 0.00 0.00 41.25 39.32 2gdx s ASN 13 CO 0.78 -0.35 0.00 0.00 -3.72 0.00 0.00 177.10 173.81 2gdx n ALA 14 N 5.12 0.00 -0.20 1.71 0.00 -1.26 -0.79 120.51 125.08 2gdx n ALA 14 Ca -0.07 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.54 2gdx n ALA 14 Cb 0.46 0.00 0.51 0.00 0.00 0.00 0.00 19.45 20.42 2gdx n ALA 14 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2gdx h VAL 15 N 0.00 0.74 -0.36 0.00 2.07 -1.99 0.60 116.25 117.31 2gdx h VAL 15 Ca 0.00 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 2gdx h VAL 15 Cb 0.00 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.04 2gdx h VAL 15 CO 0.00 0.08 0.19 -0.33 0.02 0.00 0.00 177.57 177.53 2gdx h GLU 16 N 0.42 0.51 -0.44 1.57 5.08 -1.31 -2.73 114.58 117.68 2gdx h GLU 16 Ca 0.42 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.67 2gdx h GLU 16 Cb 0.99 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.12 2gdx h GLU 16 CO -0.14 0.43 0.10 0.77 -1.00 0.00 0.00 179.01 179.17 2gdx h SER 17 N 0.45 0.61 0.98 1.42 0.02 -1.09 -0.72 113.55 115.23 2gdx h SER 17 Ca 0.13 -0.10 -0.05 0.00 -0.84 0.00 0.00 61.79 60.93 2gdx h SER 17 Cb 0.07 -0.16 0.01 0.00 0.14 0.00 0.00 62.40 62.47 2gdx h SER 17 CO -0.02 0.61 -0.47 0.50 -1.14 0.00 0.00 176.83 176.31 2gdx h LYS 18 N 0.64 -1.27 -0.40 3.45 1.63 -1.10 -1.15 116.57 118.37 2gdx h LYS 18 Ca 0.15 0.09 -0.16 0.00 -0.85 0.00 0.00 60.65 59.88 2gdx h LYS 18 Cb 0.25 0.29 -0.01 0.00 -0.60 0.00 0.00 32.23 32.16 2gdx h LYS 18 CO -0.00 -0.85 -0.36 -0.07 -3.45 0.00 0.00 179.45 174.72 2gdx h LEU 19 N -1.35 1.02 0.06 5.20 3.38 -1.44 -2.91 115.31 119.26 2gdx h LEU 19 Ca -0.13 -0.46 -0.00 0.00 0.09 0.00 0.00 57.88 57.38 2gdx h LEU 19 Cb 1.01 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.48 2gdx h LEU 19 CO 0.22 1.26 -0.03 0.00 0.09 0.00 0.00 178.44 179.98 2gdx h ALA 20 N 0.79 -0.08 -0.76 1.53 0.00 -1.17 -2.48 119.26 117.08 2gdx h ALA 20 Ca 0.07 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2gdx h ALA 20 Cb 0.96 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 2gdx h ALA 20 CO 0.09 -0.43 0.36 0.93 0.00 0.00 0.00 179.25 180.20 2gdx h GLU 21 N -0.30 1.10 -0.57 0.00 5.08 -1.24 0.12 114.58 118.78 2gdx h GLU 21 Ca -0.01 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 2gdx h GLU 21 Cb 0.27 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 2gdx h GLU 21 CO 0.01 0.87 0.30 0.82 -1.00 0.00 0.00 179.01 180.01 2gdx h ILE 22 N 1.08 1.19 -0.03 3.13 2.04 -1.51 -0.12 117.51 123.30 2gdx h ILE 22 Ca 0.26 -0.51 -0.03 0.00 1.00 0.00 0.00 64.86 65.59 2gdx h ILE 22 Cb 0.14 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 2gdx h ILE 22 CO -0.03 0.21 -0.09 -0.50 0.00 0.00 0.00 178.15 177.74 2gdx h TRP 23 N 0.76 0.14 0.00 1.37 4.06 -0.94 -0.12 115.95 121.23 2gdx h TRP 23 Ca 0.20 -0.06 -0.17 0.00 2.06 0.00 0.00 58.89 60.92 2gdx h TRP 23 Cb 0.07 -0.02 -0.03 0.00 -1.00 0.00 0.00 29.16 28.18 2gdx h TRP 23 CO -0.01 0.72 -1.11 1.05 -3.56 0.00 0.00 178.44 175.53 2gdx h GLU 24 N -0.48 0.00 0.00 0.49 -0.00 -0.80 0.47 114.58 114.25 2gdx h GLU 24 Ca -0.00 0.00 -0.44 0.00 -0.00 0.00 0.00 59.36 58.92 2gdx h GLU 24 Cb 0.73 0.00 -0.07 0.00 -0.00 0.00 0.00 28.75 29.41 2gdx h GLU 24 CO 0.02 0.46 -2.46 0.54 -0.00 0.00 0.00 179.01 177.57 2gdx n ARG 25 N -3.06 0.60 -0.05 1.06 1.74 -0.07 -0.75 116.66 116.14 2gdx n ARG 25 Ca -0.06 0.26 -0.19 0.00 -0.77 0.00 0.00 57.85 57.09 2gdx n ARG 25 Cb 0.84 -1.51 -0.13 0.00 -1.02 0.00 0.00 32.46 30.64 2gdx n ARG 25 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2gdx h VAL 26 N -0.80 1.27 0.01 1.55 2.07 -1.32 -3.28 116.25 115.75 2gdx h VAL 26 Ca -0.66 -2.33 -0.00 0.00 0.82 0.00 0.00 66.70 64.53 2gdx h VAL 26 Cb 1.66 2.81 0.00 0.00 -1.52 0.00 0.00 31.29 34.24 2gdx h VAL 26 CO -0.35 0.55 -0.00 -0.07 0.02 0.00 0.00 177.57 177.72 2gdx h LEU 27 N -0.74 -0.01 0.12 2.57 -0.00 -0.94 -3.41 115.31 112.90 2gdx h LEU 27 Ca -0.21 0.00 -0.25 0.00 -0.00 0.00 0.00 57.88 57.42 2gdx h LEU 27 Cb 1.37 0.00 0.03 0.00 -0.00 0.00 0.00 40.66 42.06 2gdx h LEU 27 CO -0.04 0.21 -1.07 1.23 -0.00 0.00 0.00 178.44 178.78 2gdx h GLY 28 N -0.45 0.59 -4.81 0.83 0.00 -0.24 -3.49 103.07 95.50 2gdx h GLY 28 Ca -0.00 -1.25 0.00 0.00 0.00 0.00 0.00 47.33 46.08 2gdx h GLY 28 CO 0.00 1.10 -0.54 -0.62 0.00 0.00 0.00 176.54 176.48 2gdx n VAL 29 N -3.93 -9.69 0.00 4.60 0.31 0.07 -4.98 118.33 104.71 2gdx n VAL 29 Ca -0.13 1.00 0.00 0.00 -0.01 0.00 0.00 64.34 65.19 2gdx n VAL 29 Cb 0.91 -6.60 0.00 0.00 -0.91 0.00 0.00 33.84 27.24 2gdx n VAL 29 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2gdx n SER 30 N -0.03 0.00 0.00 4.52 3.41 -0.31 -5.00 113.62 116.21 2gdx n SER 30 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 2gdx n SER 30 Cb 0.25 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 2gdx n SER 30 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2gdx n GLY 31 N -0.08 0.50 4.00 5.00 0.00 -1.25 -4.65 105.19 108.70 2gdx n GLY 31 Ca 0.00 -0.51 -0.20 0.00 0.00 0.00 0.00 46.02 45.31 2gdx n GLY 31 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2gdx s ILE 32 N 0.00 2.54 0.30 -0.61 1.10 -1.26 0.15 121.20 123.41 2gdx s ILE 32 Ca 0.00 -0.84 -0.11 0.00 -0.51 0.00 0.00 60.65 59.20 2gdx s ILE 32 Cb 0.00 -2.70 0.01 0.00 0.15 0.00 0.00 42.46 39.92 2gdx s ILE 32 CO 0.00 0.00 0.54 -0.83 -2.11 0.00 0.00 174.94 172.54 2gdx s GLY 33 N -4.52 0.75 -1.36 1.50 0.00 -1.26 -0.96 107.32 101.47 2gdx s GLY 33 Ca 0.59 -1.01 -0.11 0.00 0.00 0.00 0.00 44.72 44.20 2gdx s GLY 33 CO 0.38 -0.66 2.08 1.39 0.00 0.00 0.00 173.10 176.30 2gdx n ILE 34 N -0.46 4.12 0.04 0.90 2.08 -1.26 -4.10 119.36 120.68 2gdx n ILE 34 Ca -0.02 -3.85 0.00 0.00 0.56 0.00 0.00 62.75 59.44 2gdx n ILE 34 Cb 0.61 -2.43 0.00 0.00 -0.75 0.00 0.00 39.64 37.07 2gdx n ILE 34 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 2gdx n LEU 35 N 4.42 -0.15 -4.14 1.39 4.77 -1.26 -5.12 117.00 116.92 2gdx n LEU 35 Ca 0.47 0.15 -0.19 0.00 -0.03 0.00 0.00 56.01 56.41 2gdx n LEU 35 Cb 0.36 0.23 -0.13 0.00 -2.33 0.00 0.00 43.42 41.55 2gdx n LEU 35 CO 0.84 -0.56 -0.45 -0.62 -1.33 0.00 0.00 177.39 175.27 2gdx s ASP 36 N -4.02 1.55 0.09 -1.43 2.15 -1.26 -5.14 116.67 108.61 2gdx s ASP 36 Ca 0.00 -0.51 -0.06 0.00 0.43 0.00 0.00 52.55 52.41 2gdx s ASP 36 Cb 0.00 -0.07 -0.02 0.00 -0.30 0.00 0.00 42.92 42.53 2gdx s ASP 36 CO 0.00 -0.03 0.13 0.21 -0.17 0.00 0.00 175.17 175.32 2gdx s ASN 37 N -1.35 0.22 -0.02 -0.34 3.84 -1.26 -4.54 114.94 111.49 2gdx s ASN 37 Ca -0.01 -0.81 0.21 0.00 0.21 0.00 0.00 52.86 52.46 2gdx s ASN 37 Cb -0.09 0.31 -0.29 0.00 -0.55 0.00 0.00 41.25 40.63 2gdx s ASN 37 CO 0.01 -0.71 0.57 2.22 -2.79 0.00 0.00 177.10 176.40 2gdx n PHE 38 N -0.04 0.00 0.00 0.43 -1.74 -1.26 -4.72 117.46 110.13 2gdx n PHE 38 Ca -0.13 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.76 2gdx n PHE 38 Cb 0.62 -0.34 0.00 0.00 1.52 0.00 0.00 39.48 41.28 2gdx n PHE 38 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 2gdx n PHE 39 N -2.01 0.00 -1.58 2.97 7.35 -1.26 -4.00 117.46 118.93 2gdx n PHE 39 Ca -0.02 0.00 -0.40 0.00 -0.76 0.00 0.00 57.45 56.27 2gdx n PHE 39 Cb 0.48 0.13 -0.02 0.00 0.35 0.00 0.00 39.48 40.42 2gdx n PHE 39 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 2gdx n GLN 40 N -2.42 3.75 0.00 -4.13 6.02 -1.26 -3.35 117.38 115.98 2gdx n GLN 40 Ca 0.00 -2.60 0.00 0.00 -0.01 0.00 0.00 57.00 54.39 2gdx n GLN 40 Cb 0.26 -2.85 0.00 0.00 1.02 0.00 0.00 30.24 28.67 2gdx n GLN 40 CO 0.00 0.00 0.00 1.51 -1.01 0.00 0.00 177.06 177.56 2gdx n ILE 41 N 3.43 0.00 0.00 5.09 0.13 -1.25 -4.57 119.36 122.19 2gdx n ILE 41 Ca 0.69 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 62.34 2gdx n ILE 41 Cb 0.27 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 39.07 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 -0.06 1.69 3.73 4.50 0.00 -0.87 -4.61 105.19 109.57 2gdx n GLY 42 Ca 0.00 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 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 1.66 -0.40 -0.02 0.00 -1.26 -4.91 107.32 102.39 2gdx s GLY 43 Ca 0.00 1.42 -0.03 0.00 0.00 0.00 0.00 44.72 46.12 2gdx s GLY 43 CO 0.00 2.62 0.19 -2.38 0.00 0.00 0.00 173.10 173.53 2gdx s HIS 44 N 0.88 3.57 0.75 1.90 -3.43 -1.26 -4.26 115.29 113.43 2gdx s HIS 44 Ca 0.69 -2.38 -0.14 0.00 -0.80 0.00 0.00 55.06 52.43 2gdx s HIS 44 Cb -0.45 -3.15 0.05 0.00 -1.43 0.00 0.00 32.58 27.60 2gdx s HIS 44 CO 0.35 -0.96 1.20 -1.54 -2.00 0.00 0.00 174.74 171.79 2gdx s SER 45 N 1.78 4.04 -0.91 7.38 1.04 -1.26 -4.87 113.70 120.90 2gdx s SER 45 Ca 0.07 2.35 -0.24 0.00 0.48 0.00 0.00 55.95 58.61 2gdx s SER 45 Cb -0.23 -2.59 -0.01 0.00 0.10 0.00 0.00 66.02 63.30 2gdx s SER 45 CO -0.04 -2.37 1.73 -0.22 0.98 0.00 0.00 173.24 173.32 2gdx s LEU 46 N -5.32 3.29 0.07 2.42 2.96 -1.26 -4.57 118.68 116.27 2gdx s LEU 46 Ca 0.74 -0.84 -0.21 0.00 -0.22 0.00 0.00 54.13 53.60 2gdx s LEU 46 Cb -0.29 -2.56 0.05 0.00 0.50 0.00 0.00 46.19 43.89 2gdx s LEU 46 CO 0.47 -2.24 0.51 -0.75 -1.32 0.00 0.00 176.35 173.02 2gdx s LYS 47 N 6.25 1.07 0.59 1.98 2.20 -1.26 -5.02 119.74 125.54 2gdx s LYS 47 Ca 0.60 -0.33 0.29 0.00 -0.36 0.00 0.00 55.97 56.16 2gdx s LYS 47 Cb -0.05 0.48 1.77 0.00 -1.51 0.00 0.00 37.83 38.53 2gdx s LYS 47 CO -0.01 -0.40 2.23 0.00 -0.36 0.00 0.00 175.35 176.81 2gdx h ALA 48 N 2.64 1.59 -0.39 3.13 0.00 -2.00 -0.31 119.26 123.92 2gdx h ALA 48 Ca -0.32 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 2gdx h ALA 48 Cb 1.23 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 2gdx h ALA 48 CO 0.42 -0.04 0.08 1.98 0.00 0.00 0.00 179.25 181.68 2gdx h MET 49 N 0.00 0.57 -0.20 0.00 -1.53 -1.95 -0.11 114.93 111.71 2gdx h MET 49 Ca 0.01 -0.10 -0.20 0.00 -3.44 0.00 0.00 59.70 55.97 2gdx h MET 49 Cb 0.07 -0.09 0.00 0.00 -0.55 0.00 0.00 31.60 31.02 2gdx h MET 49 CO -0.00 0.54 -0.65 0.00 0.14 0.00 0.00 176.91 176.94 2gdx h ALA 50 N 1.53 0.46 -0.63 0.39 0.00 -1.30 -2.32 119.26 117.39 2gdx h ALA 50 Ca 0.13 -0.56 -0.06 0.00 0.00 0.00 0.00 54.91 54.42 2gdx h ALA 50 Cb 0.24 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2gdx h ALA 50 CO -0.00 0.69 0.15 0.28 0.00 0.00 0.00 179.25 180.37 2gdx h VAL 51 N 0.54 1.25 -0.77 0.00 2.07 -1.25 -1.63 116.25 116.45 2gdx h VAL 51 Ca -0.02 -0.91 -0.04 0.00 0.82 0.00 0.00 66.70 66.55 2gdx h VAL 51 Cb 1.25 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 2gdx h VAL 51 CO 0.13 0.35 0.33 0.00 0.02 0.00 0.00 177.57 178.40 2gdx h ALA 52 N 1.21 1.13 -0.80 1.67 0.00 -0.92 -1.69 119.26 119.86 2gdx h ALA 52 Ca 0.20 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 2gdx h ALA 52 Cb 0.34 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 2gdx h ALA 52 CO 0.00 0.64 0.32 0.00 0.00 0.00 0.00 179.25 180.21 2gdx h ALA 53 N 1.25 1.05 -0.12 0.00 0.00 -0.99 -0.82 119.26 119.63 2gdx h ALA 53 Ca 0.26 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.99 2gdx h ALA 53 Cb 0.18 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2gdx h ALA 53 CO -0.03 0.67 0.00 1.96 0.00 0.00 0.00 179.25 181.86 2gdx h GLN 54 N 1.16 0.05 -0.09 0.00 1.08 -0.63 -1.92 115.11 114.76 2gdx h GLN 54 Ca 0.27 -0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.41 2gdx h GLN 54 Cb 0.22 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.63 2gdx h GLN 54 CO -0.02 0.03 -0.18 0.28 -0.95 0.00 0.00 178.83 177.99 2gdx h VAL 55 N 0.05 1.18 0.00 -0.54 2.07 -1.12 0.39 116.25 118.27 2gdx h VAL 55 Ca 0.05 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 66.75 2gdx h VAL 55 Cb 0.06 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 2gdx h VAL 55 CO -0.09 0.25 0.00 0.45 0.02 0.00 0.00 177.57 178.20 2gdx h HIS 56 N 0.14 0.00 0.00 1.57 3.86 -0.36 -2.22 115.15 118.13 2gdx h HIS 56 Ca 0.03 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 2gdx h HIS 56 Cb 0.41 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.88 2gdx h HIS 56 CO 0.00 0.00 -0.02 -2.13 0.86 0.00 0.00 177.93 176.65 2gdx n ARG 57 N -2.92 1.36 -3.60 2.45 3.00 -0.96 -5.00 116.66 110.99 2gdx n ARG 57 Ca 0.00 -2.43 -0.28 0.00 -0.00 0.00 0.00 57.85 55.14 2gdx n ARG 57 Cb 0.26 -1.42 0.05 0.00 0.00 0.00 0.00 32.46 31.34 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 -1.31 -1.37 -2.35 -0.14 2.13 -0.84 -4.01 120.64 112.75 2gdx n GLU 58 Ca 0.14 0.56 -0.02 0.00 0.66 0.00 0.00 57.16 58.51 2gdx n GLU 58 Cb 0.61 -4.37 0.00 0.00 0.27 0.00 0.00 31.44 27.95 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 -3.92 -1.81 -2.54 4.31 4.01 0.13 -4.93 117.16 112.42 2gdx n TYR 59 Ca -0.09 0.70 -0.41 0.00 -0.16 0.00 0.00 57.90 57.95 2gdx n TYR 59 Cb 0.59 -3.00 -0.03 0.00 -0.31 0.00 0.00 39.34 36.60 2gdx n TYR 59 CO 0.00 0.00 0.00 1.14 -0.46 0.00 0.00 176.86 177.54 2gdx s GLN 60 N -2.65 3.28 -0.96 -0.72 -2.07 -1.24 -4.94 119.66 110.37 2gdx s GLN 60 Ca 0.05 -0.45 -0.24 0.00 -1.82 0.00 0.00 55.36 52.90 2gdx s GLN 60 Cb -0.01 -4.50 -0.05 0.00 -1.09 0.00 0.00 33.01 27.36 2gdx s GLN 60 CO 0.43 -2.19 1.93 0.14 -1.32 0.00 0.00 175.29 174.28 2gdx s VAL 61 N 5.66 3.48 -1.39 3.63 -7.23 -1.26 -3.65 120.40 119.63 2gdx s VAL 61 Ca 0.39 -0.49 -0.08 0.00 -1.81 0.00 0.00 61.98 59.99 2gdx s VAL 61 Cb -0.06 -4.15 0.03 0.00 0.56 0.00 0.00 36.38 32.77 2gdx s VAL 61 CO 0.09 -0.99 0.99 1.21 -0.31 0.00 0.00 175.10 176.08 2gdx n GLU 62 N 8.75 -6.26 -2.90 4.82 4.07 -1.26 -4.95 120.64 122.91 2gdx n GLU 62 Ca 0.41 0.70 -0.11 0.00 -0.06 0.00 0.00 57.16 58.10 2gdx n GLU 62 Cb 0.47 -5.59 -0.00 0.00 -0.06 0.00 0.00 31.44 26.26 2gdx n GLU 62 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 2gdx n LEU 63 N -4.62 -2.38 -2.20 4.31 7.94 -1.24 -5.03 117.00 113.78 2gdx n LEU 63 Ca -0.08 -3.50 -0.20 0.00 -1.11 0.00 0.00 56.01 51.13 2gdx n LEU 63 Cb 0.59 0.74 -0.07 0.00 0.53 0.00 0.00 43.42 45.21 2gdx n LEU 63 CO 0.69 1.97 1.49 -0.81 -1.11 0.00 0.00 177.39 179.63 2gdx n PRO 64 N 2.25 2.11 -1.54 1.96 -0.05 -1.26 -4.83 135.00 133.64 2gdx n PRO 64 Ca 0.17 -1.72 -0.39 0.00 -0.05 0.00 0.00 63.50 61.51 2gdx n PRO 64 Cb 0.57 -1.95 -0.05 0.00 -0.05 0.00 0.00 33.50 32.03 2gdx n PRO 64 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 175.50 175.34 2gdx n LEU 65 N 1.25 2.17 -2.57 1.53 7.94 -1.26 -2.34 117.00 123.71 2gdx n LEU 65 Ca 0.41 -0.28 -0.20 0.00 -1.11 0.00 0.00 56.01 54.84 2gdx n LEU 65 Cb 0.65 -1.48 0.00 0.00 0.53 0.00 0.00 43.42 43.12 2gdx n LEU 65 CO 0.26 -1.31 -0.19 0.29 -1.11 0.00 0.00 177.39 175.34 2gdx n LYS 66 N 8.86 -2.52 -0.00 1.96 5.02 -1.26 -4.82 118.16 125.40 2gdx n LYS 66 Ca 0.40 0.91 0.02 0.00 -2.02 0.00 0.00 58.31 57.62 2gdx n LYS 66 Cb 0.45 -5.62 -0.03 0.00 -0.02 0.00 0.00 35.03 29.81 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 -4.03 0.04 0.00 -0.18 3.14 -0.99 -4.87 118.33 111.44 2gdx n VAL 67 Ca -0.20 -0.11 0.00 0.00 -2.96 0.00 0.00 64.34 61.07 2gdx n VAL 67 Cb 0.66 0.22 0.00 0.00 -1.06 0.00 0.00 33.84 33.66 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 -1.72 0.00 -2.58 6.55 -0.00 -1.24 -4.94 117.00 113.07 2gdx n LEU 68 Ca -0.02 0.00 -0.25 0.00 -0.00 0.00 0.00 56.01 55.74 2gdx n LEU 68 Cb 0.19 0.07 -0.09 0.00 -0.00 0.00 0.00 43.42 43.59 2gdx n LEU 68 CO 0.09 -0.07 2.03 0.49 -0.00 0.00 0.00 177.39 179.93 2gdx n PHE 69 N -1.29 1.24 -3.64 1.96 3.72 -1.25 -4.72 117.46 113.47 2gdx n PHE 69 Ca 0.00 -2.09 -0.03 0.00 -0.05 0.00 0.00 57.45 55.28 2gdx n PHE 69 Cb 0.00 -1.73 -0.07 0.00 -0.94 0.00 0.00 39.48 36.75 2gdx n PHE 69 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2gdx s ALA 70 N 0.13 -2.26 -0.12 4.37 0.00 -1.25 -2.04 121.76 120.59 2gdx s ALA 70 Ca 0.63 2.00 -0.01 0.00 0.00 0.00 0.00 51.96 54.59 2gdx s ALA 70 Cb 0.30 -1.70 0.00 0.00 0.00 0.00 0.00 23.12 21.71 2gdx s ALA 70 CO -0.09 -0.27 0.03 0.94 0.00 0.00 0.00 175.76 176.37 2gdx n GLN 71 N 2.89 -1.20 -1.01 0.00 -0.06 -1.26 -4.01 117.38 112.73 2gdx n GLN 71 Ca -0.15 1.29 -0.32 0.00 -2.00 0.00 0.00 57.00 55.82 2gdx n GLN 71 Cb 0.57 -2.64 -0.03 0.00 -4.06 0.00 0.00 30.24 24.08 2gdx n GLN 71 CO 0.00 0.00 0.00 -2.30 -0.20 0.00 0.00 177.06 174.56 2gdx n PRO 72 N 0.15 2.21 -3.49 3.69 -0.02 -1.26 -4.67 135.00 131.61 2gdx n PRO 72 Ca 0.01 -1.76 -0.29 0.00 -2.02 0.00 0.00 63.50 59.44 2gdx n PRO 72 Cb 0.02 -2.70 -0.13 0.00 -0.02 0.00 0.00 33.50 30.68 2gdx n PRO 72 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2gdx s THR 73 N 3.66 0.05 0.29 3.45 2.01 -1.26 -4.94 115.64 118.89 2gdx s THR 73 Ca 0.49 -1.33 0.01 0.00 0.31 0.00 0.00 61.69 61.17 2gdx s THR 73 Cb 0.13 -1.06 0.13 0.00 0.01 0.00 0.00 72.50 71.71 2gdx s THR 73 CO -0.00 -0.88 1.80 0.40 -0.69 0.00 0.00 174.62 175.24 2gdx h ILE 74 N 5.56 1.23 -0.66 1.82 2.04 -1.97 0.51 117.51 126.04 2gdx h ILE 74 Ca -0.04 -0.94 0.02 0.00 1.00 0.00 0.00 64.86 64.90 2gdx h ILE 74 Cb 0.99 0.93 -0.04 0.00 -0.74 0.00 0.00 36.82 37.96 2gdx h ILE 74 CO 0.33 0.33 0.42 0.50 0.00 0.00 0.00 178.15 179.73 2gdx h LYS 75 N 0.63 0.82 -0.23 2.37 1.63 -1.95 0.51 116.57 120.35 2gdx h LYS 75 Ca 0.13 -0.05 -0.13 0.00 -0.85 0.00 0.00 60.65 59.75 2gdx h LYS 75 Cb 0.42 -0.18 -0.00 0.00 -0.60 0.00 0.00 32.23 31.86 2gdx h LYS 75 CO 0.02 0.54 -0.35 0.00 -3.45 0.00 0.00 179.45 176.21 2gdx h ALA 76 N 1.27 0.35 0.00 5.00 0.00 -1.76 -2.90 119.26 121.23 2gdx h ALA 76 Ca 0.26 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 2gdx h ALA 76 Cb -0.03 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 2gdx h ALA 76 CO -0.09 0.41 -0.16 -0.07 0.00 0.00 0.00 179.25 179.35 2gdx h LEU 77 N 0.35 0.00 -0.28 0.00 3.38 -0.72 -0.93 115.31 117.10 2gdx h LEU 77 Ca 0.02 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 2gdx h LEU 77 Cb 0.94 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 2gdx h LEU 77 CO 0.08 0.16 -0.13 0.00 0.09 0.00 0.00 178.44 178.64 2gdx h ALA 78 N 1.84 0.40 0.00 1.53 0.00 -0.70 -0.65 119.26 121.67 2gdx h ALA 78 Ca -0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2gdx h ALA 78 Cb 0.39 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2gdx h ALA 78 CO 0.02 0.27 -0.02 0.00 0.00 0.00 0.00 179.25 179.52 2gdx n GLN 79 N -4.43 0.20 0.00 0.00 10.64 -0.98 -2.59 117.38 120.21 2gdx n GLN 79 Ca -0.03 0.16 0.00 0.00 -1.83 0.00 0.00 57.00 55.30 2gdx n GLN 79 Cb 0.36 -1.73 0.00 0.00 -0.86 0.00 0.00 30.24 28.01 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 -2.08 0.00 0.03 2.61 4.02 -0.39 -4.30 117.16 117.05 2gdx n TYR 80 Ca 0.06 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.73 2gdx n TYR 80 Cb 0.41 -0.24 -0.14 0.00 -0.02 0.00 0.00 39.34 39.34 2gdx n TYR 80 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 2gdx h VAL 81 N 0.00 1.15 -0.18 -0.72 2.07 -1.30 -3.31 116.25 113.95 2gdx h VAL 81 Ca 0.00 -2.45 -0.10 0.00 0.82 0.00 0.00 66.70 64.97 2gdx h VAL 81 Cb 0.00 2.85 -0.06 0.00 -1.52 0.00 0.00 31.29 32.56 2gdx h VAL 81 CO 0.00 0.72 0.12 0.00 0.02 0.00 0.00 177.57 178.43 2gdx n ALA 82 N -2.88 3.14 0.64 1.67 0.00 -1.07 -3.89 120.51 118.12 2gdx n ALA 82 Ca -0.22 -0.53 0.13 0.00 0.00 0.00 0.00 53.44 52.82 2gdx n ALA 82 Cb 0.90 -1.08 0.44 0.00 0.00 0.00 0.00 19.45 19.71 2gdx n ALA 82 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2gdx n THR 83 N 0.25 0.57 -0.49 0.00 5.66 -1.14 -4.74 114.28 114.38 2gdx n THR 83 Ca 0.11 -0.18 0.00 0.00 -3.05 0.00 0.00 64.05 60.93 2gdx n THR 83 Cb 0.70 -0.66 0.00 0.00 -1.55 0.00 0.00 70.33 68.83 2gdx n THR 83 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 175.07 169.91 2gdx n ARG 84 N -2.17 3.54 0.00 1.09 1.85 -1.25 -5.09 116.66 114.63 2gdx n ARG 84 Ca 0.05 0.00 0.01 0.00 -1.00 0.00 0.00 57.85 56.91 2gdx n ARG 84 Cb 0.39 0.00 0.01 0.00 -1.05 0.00 0.00 32.46 31.81 2gdx n ARG 84 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05