#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 -0.16 2.56 3.17 0.00 -1.18 -3.50 105.19 106.08 2gdx n GLY 2 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.37 0.43 -3.76 1.61 0.24 -1.26 -5.01 118.33 110.21 2gdx n VAL 3 Ca -0.05 -1.58 -0.13 0.00 -2.04 0.00 0.00 64.34 60.53 2gdx n VAL 3 Cb 0.57 1.07 -0.14 0.00 -1.47 0.00 0.00 33.84 33.87 2gdx n VAL 3 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2gdx s THR 4 N -1.21 -0.04 0.08 3.34 2.01 -1.26 -5.14 115.64 113.41 2gdx s THR 4 Ca 0.16 0.15 -0.21 0.00 0.31 0.00 0.00 61.69 62.10 2gdx s THR 4 Cb 0.37 -0.23 -0.07 0.00 0.01 0.00 0.00 72.50 72.58 2gdx s THR 4 CO -0.09 0.06 0.62 -1.61 -0.69 0.00 0.00 174.62 172.91 2gdx s GLU 5 N 1.01 4.30 -0.09 4.92 8.01 -1.26 -4.78 118.70 130.81 2gdx s GLU 5 Ca -0.08 0.83 -0.02 0.00 0.01 0.00 0.00 54.97 55.71 2gdx s GLU 5 Cb -0.10 -3.26 0.03 0.00 -4.31 0.00 0.00 34.13 26.49 2gdx s GLU 5 CO -0.05 0.57 0.02 0.00 0.01 0.00 0.00 175.26 175.81 2gdx s ALA 6 N -0.93 0.68 -0.72 5.21 0.00 0.10 -5.01 121.76 121.09 2gdx s ALA 6 Ca 0.31 -0.18 0.01 0.00 0.00 0.00 0.00 51.96 52.10 2gdx s ALA 6 Cb -0.20 -0.80 0.04 0.00 0.00 0.00 0.00 23.12 22.16 2gdx s ALA 6 CO 0.20 -0.59 0.70 1.04 0.00 0.00 0.00 175.76 177.11 2gdx n GLN 7 N 5.16 1.18 0.23 0.00 6.02 -1.26 -3.75 117.38 124.95 2gdx n GLN 7 Ca -0.07 -0.18 -0.14 0.00 -0.01 0.00 0.00 57.00 56.61 2gdx n GLN 7 Cb 0.50 -1.42 -0.08 0.00 1.02 0.00 0.00 30.24 30.26 2gdx n GLN 7 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 2gdx h TYR 8 N 0.18 -0.56 -6.11 1.08 3.20 -1.91 -3.46 116.97 109.40 2gdx h TYR 8 Ca 0.01 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.81 2gdx h TYR 8 Cb 0.72 0.18 -0.00 0.00 1.54 0.00 0.00 36.73 39.17 2gdx h TYR 8 CO 0.07 -0.23 -0.11 1.55 -1.64 0.00 0.00 178.16 177.80 2gdx n VAL 9 N -5.23 -0.29 -3.49 1.81 3.14 -1.25 -4.89 118.33 108.14 2gdx n VAL 9 Ca -0.10 -0.02 -0.27 0.00 -2.96 0.00 0.00 64.34 60.99 2gdx n VAL 9 Cb 0.30 -0.25 -0.10 0.00 -1.06 0.00 0.00 33.84 32.73 2gdx n VAL 9 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2gdx n ALA 10 N -0.97 3.10 -1.90 1.55 0.00 -1.26 -5.03 120.51 116.00 2gdx n ALA 10 Ca -0.02 -3.79 -0.43 0.00 0.00 0.00 0.00 53.44 49.20 2gdx n ALA 10 Cb 0.06 -0.86 -0.03 0.00 0.00 0.00 0.00 19.45 18.63 2gdx n ALA 10 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2gdx s PRO 11 N -0.99 3.78 0.25 0.00 0.02 -1.26 -4.83 135.00 131.97 2gdx s PRO 11 Ca 0.32 2.02 0.01 0.00 0.02 0.00 0.00 61.00 63.37 2gdx s PRO 11 Cb 0.06 -4.13 0.31 0.00 0.02 0.00 0.00 34.50 30.76 2gdx s PRO 11 CO -0.14 -1.33 1.64 1.79 -0.33 0.00 0.00 177.00 178.62 2gdx h THR 12 N 6.17 1.30 -3.27 0.99 1.35 -1.94 -3.44 112.91 114.07 2gdx h THR 12 Ca -0.39 -1.53 -0.64 0.00 -0.55 0.00 0.00 66.41 63.29 2gdx h THR 12 Cb 1.19 1.58 -0.12 0.00 -1.73 0.00 0.00 68.15 69.07 2gdx h THR 12 CO 0.97 0.47 -0.66 0.21 -0.25 0.00 0.00 175.52 176.27 2gdx s ASN 13 N -6.85 5.01 0.39 5.36 3.84 -1.26 -5.02 114.94 116.41 2gdx s ASN 13 Ca -0.06 -0.20 0.08 0.00 0.21 0.00 0.00 52.86 52.88 2gdx s ASN 13 Cb 0.13 -1.18 0.84 0.00 -0.55 0.00 0.00 41.25 40.49 2gdx s ASN 13 CO 0.80 0.16 1.99 0.00 -2.79 0.00 0.00 177.10 177.26 2gdx h ALA 14 N 3.31 1.79 -0.56 1.71 0.00 -2.01 -1.05 119.26 122.45 2gdx h ALA 14 Ca -0.48 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 2gdx h ALA 14 Cb 1.17 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 2gdx h ALA 14 CO 0.60 0.12 0.22 0.28 0.00 0.00 0.00 179.25 180.46 2gdx h VAL 15 N 0.62 1.20 0.00 0.00 2.07 -1.96 -2.49 116.25 115.70 2gdx h VAL 15 Ca 0.27 -0.64 -0.07 0.00 0.82 0.00 0.00 66.70 67.08 2gdx h VAL 15 Cb 0.26 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 2gdx h VAL 15 CO -0.08 0.25 -0.33 -0.33 0.02 0.00 0.00 177.57 177.11 2gdx h GLU 16 N 0.80 0.00 -0.14 1.57 5.08 -1.57 -2.91 114.58 117.41 2gdx h GLU 16 Ca 0.19 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.47 2gdx h GLU 16 Cb 0.16 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 2gdx h GLU 16 CO -0.02 0.33 -0.24 0.77 -1.00 0.00 0.00 179.01 178.85 2gdx h SER 17 N 0.00 0.45 -0.68 1.42 0.02 -1.00 -0.89 113.55 112.87 2gdx h SER 17 Ca -0.00 -0.54 -0.05 0.00 -0.84 0.00 0.00 61.79 60.35 2gdx h SER 17 Cb 1.23 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.61 2gdx h SER 17 CO 0.04 0.91 0.22 0.11 -1.14 0.00 0.00 176.83 176.97 2gdx h LYS 18 N 0.01 1.06 -0.23 3.45 1.79 -1.53 -0.70 116.57 120.43 2gdx h LYS 18 Ca 0.01 -0.21 -0.02 0.00 -2.18 0.00 0.00 60.65 58.25 2gdx h LYS 18 Cb 0.82 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 31.30 2gdx h LYS 18 CO 0.05 0.90 0.08 -0.07 -1.08 0.00 0.00 179.45 179.34 2gdx h LEU 19 N 1.03 0.32 -1.48 2.94 4.07 -1.50 -2.78 115.31 117.92 2gdx h LEU 19 Ca 0.23 -0.18 0.04 0.00 0.08 0.00 0.00 57.88 58.04 2gdx h LEU 19 Cb 0.28 -0.08 -0.03 0.00 1.08 0.00 0.00 40.66 41.90 2gdx h LEU 19 CO -0.01 0.42 0.40 0.00 -1.08 0.00 0.00 178.44 178.17 2gdx h ALA 20 N 0.91 1.72 0.13 1.53 0.00 -0.74 -0.64 119.26 122.18 2gdx h ALA 20 Ca 0.07 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.97 2gdx h ALA 20 Cb 0.21 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2gdx h ALA 20 CO -0.00 0.21 -0.23 0.93 0.00 0.00 0.00 179.25 180.16 2gdx h GLU 21 N 0.67 -0.42 -0.28 0.00 5.08 -0.86 0.42 114.58 119.20 2gdx h GLU 21 Ca 0.25 0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.54 2gdx h GLU 21 Cb 0.14 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2gdx h GLU 21 CO -0.07 -0.28 -0.18 0.82 -1.00 0.00 0.00 179.01 178.30 2gdx h ILE 22 N -0.43 1.30 -0.26 3.13 1.08 -1.29 -2.84 117.51 118.19 2gdx h ILE 22 Ca 0.02 -1.30 -0.19 0.00 -0.39 0.00 0.00 64.86 62.99 2gdx h ILE 22 Cb 0.45 1.53 0.00 0.00 -3.07 0.00 0.00 36.82 35.73 2gdx h ILE 22 CO -0.11 0.41 -0.59 -0.50 -0.69 0.00 0.00 178.15 176.67 2gdx h TRP 23 N 0.36 1.09 0.03 1.37 4.06 -1.03 -0.44 115.95 121.39 2gdx h TRP 23 Ca 0.06 -0.41 -0.22 0.00 2.06 0.00 0.00 58.89 60.38 2gdx h TRP 23 Cb 0.72 -0.20 -0.01 0.00 -1.00 0.00 0.00 29.16 28.67 2gdx h TRP 23 CO 0.07 1.24 -0.97 1.05 -3.56 0.00 0.00 178.44 176.27 2gdx h GLU 24 N 0.64 0.23 0.00 0.49 4.11 -1.00 0.50 114.58 119.55 2gdx h GLU 24 Ca 0.00 -0.28 -0.06 0.00 0.07 0.00 0.00 59.36 59.09 2gdx h GLU 24 Cb 1.21 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 2gdx h GLU 24 CO 0.13 1.03 -0.70 0.54 0.07 0.00 0.00 179.01 180.08 2gdx n ARG 25 N -3.62 0.48 -0.09 1.06 5.12 -1.07 -0.87 116.66 117.66 2gdx n ARG 25 Ca -0.05 0.54 -0.22 0.00 -1.93 0.00 0.00 57.85 56.20 2gdx n ARG 25 Cb 0.86 -1.71 -0.12 0.00 -1.16 0.00 0.00 32.46 30.33 2gdx n ARG 25 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2gdx n VAL 26 N -4.57 1.58 0.00 1.55 0.31 -0.36 -3.86 118.33 112.98 2gdx n VAL 26 Ca -0.14 -0.49 -0.00 0.00 -0.01 0.00 0.00 64.34 63.70 2gdx n VAL 26 Cb 0.37 -1.67 -0.00 0.00 -0.91 0.00 0.00 33.84 31.63 2gdx n VAL 26 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2gdx h LEU 27 N -0.30 -0.01 0.00 7.52 -0.00 -1.16 -3.39 115.31 117.97 2gdx h LEU 27 Ca -0.54 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 57.27 2gdx h LEU 27 Cb 1.81 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 42.46 2gdx h LEU 27 CO -0.13 -0.00 -1.31 0.61 -0.00 0.00 0.00 178.44 177.61 2gdx n GLY 28 N 0.57 -1.31 3.57 0.83 0.00 0.17 -4.98 105.19 104.05 2gdx n GLY 28 Ca -0.00 -0.23 -0.20 0.00 0.00 0.00 0.00 46.02 45.58 2gdx n GLY 28 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2gdx n VAL 29 N -2.70 -5.65 -3.86 1.61 0.31 -1.02 -5.01 118.33 102.01 2gdx n VAL 29 Ca -0.05 -0.67 -0.12 0.00 -0.01 0.00 0.00 64.34 63.49 2gdx n VAL 29 Cb 0.67 -4.52 -0.13 0.00 -0.91 0.00 0.00 33.84 28.95 2gdx n VAL 29 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2gdx s SER 30 N -4.13 -0.05 -1.32 4.52 1.04 -0.05 -5.00 113.70 108.70 2gdx s SER 30 Ca 0.12 0.09 -0.16 0.00 0.48 0.00 0.00 55.95 56.47 2gdx s SER 30 Cb -0.03 0.17 0.08 0.00 0.10 0.00 0.00 66.02 66.35 2gdx s SER 30 CO 0.79 -0.08 1.82 0.61 0.98 0.00 0.00 173.24 177.36 2gdx n GLY 31 N 2.78 3.21 0.00 7.32 0.00 -1.26 -4.56 105.19 112.68 2gdx n GLY 31 Ca -0.14 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.28 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 5.73 0.00 -1.65 -0.61 -6.64 -1.26 0.02 119.36 114.95 2gdx n ILE 32 Ca 0.48 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 61.46 2gdx n ILE 32 Cb 0.44 0.00 0.00 0.00 -1.44 0.00 0.00 39.64 38.64 2gdx n ILE 32 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 2gdx n GLY 33 N 5.00 -1.43 3.57 3.28 0.00 -1.26 -3.95 105.19 110.39 2gdx n GLY 33 Ca 0.00 -1.01 -0.42 0.00 0.00 0.00 0.00 46.02 44.59 2gdx n GLY 33 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2gdx s ILE 34 N -2.50 4.11 0.07 -0.61 -1.09 -1.26 -3.91 121.20 116.00 2gdx s ILE 34 Ca 0.00 -1.59 0.00 0.00 -2.23 0.00 0.00 60.65 56.83 2gdx s ILE 34 Cb 0.00 -5.14 0.00 0.00 -1.58 0.00 0.00 42.46 35.74 2gdx s ILE 34 CO 0.00 -1.98 0.00 0.00 -1.23 0.00 0.00 174.94 171.73 2gdx n LEU 35 N 8.41 -0.61 0.00 2.97 -0.00 -1.26 -4.89 117.00 121.62 2gdx n LEU 35 Ca 0.43 0.15 0.00 0.00 -0.00 0.00 0.00 56.01 56.59 2gdx n LEU 35 Cb 0.47 0.91 0.00 0.00 -0.00 0.00 0.00 43.42 44.81 2gdx n LEU 35 CO 0.73 -0.29 0.00 -0.67 -0.00 0.00 0.00 177.39 177.16 2gdx n ASP 36 N -2.57 0.00 0.00 1.45 -0.08 -1.25 -4.88 116.55 109.21 2gdx n ASP 36 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 2gdx n ASP 36 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 2gdx n ASP 36 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 2gdx n ASN 37 N 0.29 0.00 0.00 1.67 3.02 -1.26 -4.48 115.26 114.50 2gdx n ASN 37 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2gdx n ASN 37 Cb 0.00 -0.62 0.00 0.00 -0.61 0.00 0.00 39.78 38.55 2gdx n ASN 37 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 2gdx n PHE 38 N -2.00 0.00 0.00 3.10 7.35 -1.23 -3.11 117.46 121.57 2gdx n PHE 38 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 2gdx n PHE 38 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 2gdx n PHE 38 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2gdx n PHE 39 N -0.07 0.00 -2.17 -5.13 7.35 -1.26 -4.58 117.46 111.60 2gdx n PHE 39 Ca 0.00 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.27 2gdx n PHE 39 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 2gdx n PHE 39 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2gdx n GLN 40 N 0.00 3.21 -4.14 -4.13 0.00 -1.26 -4.70 117.38 106.36 2gdx n GLN 40 Ca 0.00 -3.12 -0.13 0.00 0.00 0.00 0.00 57.00 53.75 2gdx n GLN 40 Cb 0.00 -3.17 -0.08 0.00 0.00 0.00 0.00 30.24 26.99 2gdx n GLN 40 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.06 178.02 2gdx s ILE 41 N 2.23 0.00 -0.85 -0.39 -4.36 -0.99 -4.79 121.20 112.06 2gdx s ILE 41 Ca 0.45 -1.79 -0.25 0.00 -0.26 0.00 0.00 60.65 58.80 2gdx s ILE 41 Cb 0.10 -2.45 0.01 0.00 1.25 0.00 0.00 42.46 41.37 2gdx s ILE 41 CO -0.03 0.00 1.56 -0.83 0.24 0.00 0.00 174.94 175.88 2gdx s GLY 42 N -3.16 0.77 0.00 6.27 0.00 -1.26 -4.69 107.32 105.24 2gdx s GLY 42 Ca 0.34 -1.59 0.00 0.00 0.00 0.00 0.00 44.72 43.47 2gdx s GLY 42 CO 0.14 2.95 0.00 0.61 0.00 0.00 0.00 173.10 176.80 2gdx n GLY 43 N 6.24 -0.52 3.61 0.20 0.00 -1.21 -4.93 105.19 108.58 2gdx n GLY 43 Ca 0.23 -0.90 -0.03 0.00 0.00 0.00 0.00 46.02 45.32 2gdx n GLY 43 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2gdx s HIS 44 N -3.04 -0.82 0.62 1.61 -3.43 -1.26 -4.80 115.29 104.17 2gdx s HIS 44 Ca 0.00 1.58 -0.09 0.00 -0.80 0.00 0.00 55.06 55.74 2gdx s HIS 44 Cb 0.00 0.49 -0.01 0.00 -1.43 0.00 0.00 32.58 31.62 2gdx s HIS 44 CO 0.00 -0.41 0.99 -1.12 -2.00 0.00 0.00 174.74 172.21 2gdx s SER 45 N 1.73 5.89 -1.18 7.38 0.01 -1.26 -4.99 113.70 121.28 2gdx s SER 45 Ca -0.08 1.14 -0.06 0.00 1.31 0.00 0.00 55.95 58.26 2gdx s SER 45 Cb -0.05 -2.14 0.23 0.00 0.21 0.00 0.00 66.02 64.27 2gdx s SER 45 CO -0.17 -1.00 1.81 0.18 0.41 0.00 0.00 173.24 174.46 2gdx n LEU 46 N -2.73 6.89 -3.64 2.44 4.77 -1.26 -3.78 117.00 119.70 2gdx n LEU 46 Ca 0.05 -4.99 -0.05 0.00 -0.03 0.00 0.00 56.01 50.99 2gdx n LEU 46 Cb 0.56 -1.34 -0.06 0.00 -2.33 0.00 0.00 43.42 40.24 2gdx n LEU 46 CO 0.56 1.69 0.37 -0.75 -1.33 0.00 0.00 177.39 177.93 2gdx s LYS 47 N -1.64 0.64 0.00 3.23 2.20 -1.26 -5.00 119.74 117.91 2gdx s LYS 47 Ca 0.39 1.21 0.00 0.00 -0.36 0.00 0.00 55.97 57.21 2gdx s LYS 47 Cb 0.11 0.31 0.00 0.00 -1.51 0.00 0.00 37.83 36.74 2gdx s LYS 47 CO 0.01 -0.15 0.00 0.00 -0.36 0.00 0.00 175.35 174.85 2gdx n ALA 48 N 4.54 0.00 -0.29 3.13 0.00 -1.26 -0.14 120.51 126.48 2gdx n ALA 48 Ca -0.18 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.31 2gdx n ALA 48 Cb 0.56 0.00 0.19 0.00 0.00 0.00 0.00 19.45 20.20 2gdx n ALA 48 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 2gdx h MET 49 N 0.00 0.71 -0.23 0.00 -1.53 -1.98 0.36 114.93 112.26 2gdx h MET 49 Ca 0.00 -0.04 -0.15 0.00 -3.44 0.00 0.00 59.70 56.07 2gdx h MET 49 Cb 0.00 -0.16 -0.01 0.00 -0.55 0.00 0.00 31.60 30.88 2gdx h MET 49 CO 0.00 0.47 -0.46 0.00 0.14 0.00 0.00 176.91 177.06 2gdx h ALA 50 N 1.49 0.76 -0.23 0.39 0.00 -0.79 -0.39 119.26 120.49 2gdx h ALA 50 Ca 0.42 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 2gdx h ALA 50 Cb 0.48 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2gdx h ALA 50 CO -0.29 0.67 -0.00 0.28 0.00 0.00 0.00 179.25 179.90 2gdx h VAL 51 N 0.48 1.26 0.00 0.00 2.07 -1.11 -2.74 116.25 116.21 2gdx h VAL 51 Ca 0.03 -0.90 -0.03 0.00 0.82 0.00 0.00 66.70 66.62 2gdx h VAL 51 Cb 0.99 1.40 -0.00 0.00 -1.52 0.00 0.00 31.29 32.16 2gdx h VAL 51 CO 0.09 0.28 -0.12 0.00 0.02 0.00 0.00 177.57 177.84 2gdx h ALA 52 N 0.80 1.30 0.00 1.67 0.00 -0.81 -0.87 119.26 121.35 2gdx h ALA 52 Ca 0.06 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 2gdx h ALA 52 Cb 0.41 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2gdx h ALA 52 CO 0.01 0.15 -0.37 0.00 0.00 0.00 0.00 179.25 179.04 2gdx h ALA 53 N 1.88 1.24 0.00 0.00 0.00 -0.77 -1.95 119.26 119.66 2gdx h ALA 53 Ca -0.00 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.47 2gdx h ALA 53 Cb 0.33 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2gdx h ALA 53 CO 0.02 0.46 -0.50 0.37 0.00 0.00 0.00 179.25 179.60 2gdx h GLN 54 N 0.00 0.00 -0.57 0.00 4.15 -1.00 -2.92 115.11 114.77 2gdx h GLN 54 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2gdx h GLN 54 Cb 0.72 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.41 2gdx h GLN 54 CO 0.05 0.50 0.00 0.28 -1.93 0.00 0.00 178.83 177.73 2gdx n VAL 55 N -3.30 1.07 1.17 2.39 0.31 -0.87 -3.39 118.33 115.72 2gdx n VAL 55 Ca 0.01 -0.75 0.10 0.00 -0.01 0.00 0.00 64.34 63.70 2gdx n VAL 55 Cb 0.69 0.08 0.35 0.00 -0.91 0.00 0.00 33.84 34.05 2gdx n VAL 55 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 2gdx n HIS 56 N 0.74 0.24 -2.79 3.52 8.25 -0.79 -4.91 115.22 119.48 2gdx n HIS 56 Ca 0.17 -0.12 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 2gdx n HIS 56 Cb 0.58 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.69 2gdx n HIS 56 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2gdx n ARG 57 N 0.37 0.00 -0.42 -0.41 1.74 -1.25 -5.02 116.66 111.69 2gdx n ARG 57 Ca 0.16 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.24 2gdx n ARG 57 Cb 0.34 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.78 2gdx n ARG 57 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 2gdx n GLU 58 N 0.00 0.98 -2.84 5.56 0.00 -1.26 -4.71 120.64 118.37 2gdx n GLU 58 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 57.16 57.09 2gdx n GLU 58 Cb 0.00 -1.01 0.01 0.00 0.00 0.00 0.00 31.44 30.44 2gdx n GLU 58 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 2gdx n TYR 59 N 1.36 -3.32 0.88 -1.84 4.01 -1.22 -4.85 117.16 112.19 2gdx n TYR 59 Ca 0.00 1.33 0.00 0.00 -0.16 0.00 0.00 57.90 59.07 2gdx n TYR 59 Cb 0.49 -4.03 0.00 0.00 -0.31 0.00 0.00 39.34 35.50 2gdx n TYR 59 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2gdx n GLN 60 N -0.54 0.88 0.00 -0.72 0.00 -1.26 -4.92 117.38 110.83 2gdx n GLN 60 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.10 2gdx n GLN 60 Cb 0.45 -1.32 0.00 0.00 0.00 0.00 0.00 30.24 29.38 2gdx n GLN 60 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 2gdx n VAL 61 N 0.22 0.00 -2.32 -0.39 0.31 -1.26 -0.66 118.33 114.24 2gdx n VAL 61 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.35 2gdx n VAL 61 Cb 0.29 0.00 0.07 0.00 -0.91 0.00 0.00 33.84 33.29 2gdx n VAL 61 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 2gdx n GLU 62 N 0.00 0.84 -3.48 5.55 0.28 -1.26 -4.79 120.64 117.78 2gdx n GLU 62 Ca 0.00 -2.66 -0.43 0.00 -0.16 0.00 0.00 57.16 53.92 2gdx n GLU 62 Cb 0.00 -0.75 -0.08 0.00 1.43 0.00 0.00 31.44 32.05 2gdx n GLU 62 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2gdx s LEU 63 N -1.53 5.77 0.00 -1.84 1.43 0.17 -3.29 118.68 119.39 2gdx s LEU 63 Ca 0.35 -1.79 0.22 0.00 -1.03 0.00 0.00 54.13 51.88 2gdx s LEU 63 Cb 0.38 -2.08 1.10 0.00 0.03 0.00 0.00 46.19 45.62 2gdx s LEU 63 CO -0.12 -0.72 1.74 -0.81 0.23 0.00 0.00 176.35 176.68 2gdx n PRO 64 N 5.03 1.32 -1.44 1.29 -0.04 -1.26 -4.85 135.00 135.04 2gdx n PRO 64 Ca -0.10 -0.48 -0.46 0.00 -0.04 0.00 0.00 63.50 62.42 2gdx n PRO 64 Cb 0.41 -1.38 -0.12 0.00 -0.04 0.00 0.00 33.50 32.37 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 -0.34 0.88 -1.87 1.53 7.94 -1.26 -0.62 117.00 123.26 2gdx n LEU 65 Ca 0.17 0.24 -0.19 0.00 -1.11 0.00 0.00 56.01 55.11 2gdx n LEU 65 Cb 0.19 -1.04 -0.06 0.00 0.53 0.00 0.00 43.42 43.05 2gdx n LEU 65 CO 0.13 -0.84 -0.21 0.29 -1.11 0.00 0.00 177.39 175.65 2gdx n LYS 66 N 8.29 -1.56 -0.12 1.96 5.02 -1.26 -4.82 118.16 125.67 2gdx n LYS 66 Ca 0.57 1.06 -0.24 0.00 -2.02 0.00 0.00 58.31 57.68 2gdx n LYS 66 Cb 0.10 -5.53 -0.09 0.00 -0.02 0.00 0.00 35.03 29.49 2gdx n LYS 66 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2gdx n VAL 67 N -2.86 1.52 0.05 -0.18 0.31 0.21 -5.01 118.33 112.37 2gdx n VAL 67 Ca -0.21 -0.21 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 2gdx n VAL 67 Cb 0.65 -2.00 0.00 0.00 -0.91 0.00 0.00 33.84 31.57 2gdx n VAL 67 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 2gdx n LEU 68 N -4.34 -0.93 -1.49 7.52 7.94 -1.22 -4.92 117.00 119.56 2gdx n LEU 68 Ca -0.42 0.32 -0.06 0.00 -1.11 0.00 0.00 56.01 54.73 2gdx n LEU 68 Cb 0.76 1.11 0.02 0.00 0.53 0.00 0.00 43.42 45.84 2gdx n LEU 68 CO 0.09 -0.06 0.91 0.49 -1.11 0.00 0.00 177.39 177.72 2gdx n PHE 69 N -2.68 0.65 -2.70 1.96 3.72 -1.26 -3.44 117.46 113.71 2gdx n PHE 69 Ca 0.00 -1.14 -0.06 0.00 -0.05 0.00 0.00 57.45 56.20 2gdx n PHE 69 Cb 0.00 -0.57 0.09 0.00 -0.94 0.00 0.00 39.48 38.07 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 0.65 2.18 -3.15 4.37 0.00 -1.23 -2.33 120.51 120.99 2gdx n ALA 70 Ca 0.13 -1.84 0.05 0.00 0.00 0.00 0.00 53.44 51.77 2gdx n ALA 70 Cb 0.62 -0.95 -0.01 0.00 0.00 0.00 0.00 19.45 19.12 2gdx n ALA 70 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2gdx s GLN 71 N -1.01 0.31 0.00 0.00 -0.44 -1.22 -4.08 119.66 113.22 2gdx s GLN 71 Ca 0.22 0.42 -0.00 0.00 -2.50 0.00 0.00 55.36 53.50 2gdx s GLN 71 Cb 0.42 0.22 -0.01 0.00 -1.64 0.00 0.00 33.01 32.00 2gdx s GLN 71 CO -0.06 -0.46 1.55 -0.35 0.50 0.00 0.00 175.29 176.46 2gdx n PRO 72 N 5.34 0.78 -3.33 1.67 -0.04 -1.26 -4.35 135.00 133.81 2gdx n PRO 72 Ca 0.02 -0.03 -0.12 0.00 -0.04 0.00 0.00 63.50 63.32 2gdx n PRO 72 Cb 0.55 -1.16 -0.06 0.00 -0.04 0.00 0.00 33.50 32.78 2gdx n PRO 72 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2gdx s THR 73 N 0.56 -0.52 0.27 0.52 2.01 -1.26 -4.81 115.64 112.42 2gdx s THR 73 Ca 0.02 -0.59 0.01 0.00 0.31 0.00 0.00 61.69 61.45 2gdx s THR 73 Cb 0.01 -0.73 0.07 0.00 0.01 0.00 0.00 72.50 71.86 2gdx s THR 73 CO 0.00 -0.40 1.72 0.40 -0.69 0.00 0.00 174.62 175.64 2gdx h ILE 74 N 5.55 1.26 -0.55 1.82 2.04 -1.96 -1.93 117.51 123.75 2gdx h ILE 74 Ca -0.02 -1.25 -0.02 0.00 1.00 0.00 0.00 64.86 64.58 2gdx h ILE 74 Cb 1.09 1.29 -0.03 0.00 -0.74 0.00 0.00 36.82 38.44 2gdx h ILE 74 CO 0.22 0.40 0.28 0.50 0.00 0.00 0.00 178.15 179.55 2gdx h LYS 75 N 0.48 0.77 -0.42 2.37 1.63 -1.96 -1.10 116.57 118.34 2gdx h LYS 75 Ca 0.07 -0.09 -0.09 0.00 -0.85 0.00 0.00 60.65 59.70 2gdx h LYS 75 Cb 0.65 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 32.11 2gdx h LYS 75 CO 0.05 0.59 -0.10 0.00 -3.45 0.00 0.00 179.45 176.53 2gdx h ALA 76 N 1.54 1.04 -0.20 5.00 0.00 -1.79 -2.36 119.26 122.50 2gdx h ALA 76 Ca 0.19 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 2gdx h ALA 76 Cb 0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2gdx h ALA 76 CO -0.03 0.58 -0.24 -0.07 0.00 0.00 0.00 179.25 179.49 2gdx h LEU 77 N 0.67 0.36 -0.98 0.00 3.38 -0.77 -2.23 115.31 115.74 2gdx h LEU 77 Ca 0.12 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2gdx h LEU 77 Cb 0.56 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2gdx h LEU 77 CO 0.03 0.61 0.00 0.00 0.09 0.00 0.00 178.44 179.17 2gdx h ALA 78 N 1.43 1.00 -0.34 1.53 0.00 -0.71 -1.19 119.26 120.98 2gdx h ALA 78 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2gdx h ALA 78 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2gdx h ALA 78 CO 0.04 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.29 2gdx n GLN 79 N -2.62 2.93 0.00 0.00 10.64 -0.94 -3.13 117.38 124.26 2gdx n GLN 79 Ca 0.02 -2.32 0.00 0.00 -1.83 0.00 0.00 57.00 52.87 2gdx n GLN 79 Cb 0.28 -1.46 0.00 0.00 -0.86 0.00 0.00 30.24 28.20 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 0.28 0.00 0.35 2.61 4.02 -0.55 -4.68 117.16 119.19 2gdx n TYR 80 Ca 0.15 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 58.18 2gdx n TYR 80 Cb 0.58 0.00 0.53 0.00 -0.02 0.00 0.00 39.34 40.43 2gdx n TYR 80 CO 0.00 0.00 0.00 -0.39 -1.01 0.00 0.00 176.86 175.46 2gdx h VAL 81 N 0.00 0.00 -0.53 -0.72 -1.51 -1.54 -3.07 116.25 108.87 2gdx h VAL 81 Ca 0.00 -0.47 -0.36 0.00 -1.23 0.00 0.00 66.70 64.64 2gdx h VAL 81 Cb 0.00 1.38 -0.40 0.00 -2.13 0.00 0.00 31.29 30.14 2gdx h VAL 81 CO 0.00 0.00 -0.97 0.00 -1.23 0.00 0.00 177.57 175.37 2gdx n ALA 82 N -1.95 3.62 0.11 5.19 0.00 -0.61 -4.83 120.51 122.05 2gdx n ALA 82 Ca 0.02 -3.18 -0.01 0.00 0.00 0.00 0.00 53.44 50.27 2gdx n ALA 82 Cb 0.32 -0.62 -0.03 0.00 0.00 0.00 0.00 19.45 19.11 2gdx n ALA 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gdx h THR 83 N 4.09 1.17 0.00 0.00 1.03 -1.48 -3.42 112.91 114.31 2gdx h THR 83 Ca 0.07 -2.67 0.00 0.00 -0.01 0.00 0.00 66.41 63.81 2gdx h THR 83 Cb 1.40 2.58 0.00 0.00 -1.07 0.00 0.00 68.15 71.06 2gdx h THR 83 CO 0.41 0.67 0.00 0.54 -0.01 0.00 0.00 175.52 177.13 2gdx n ARG 84 N -3.27 0.00 0.00 0.00 1.74 -1.26 -4.96 116.66 108.91 2gdx n ARG 84 Ca 0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 2gdx n ARG 84 Cb 0.81 -0.01 0.00 0.00 -1.02 0.00 0.00 32.46 32.25 2gdx n ARG 84 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54