#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dgo h ASP 6 N 0.00 0.54 0.06 1.67 3.32 -2.01 -2.63 116.42 117.37 3dgo h ASP 6 Ca 0.00 -0.24 -0.02 0.00 0.02 0.00 0.00 57.03 56.79 3dgo h ASP 6 Cb 0.00 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.40 3dgo h ASP 6 CO 0.00 0.89 -0.07 0.44 -1.72 0.00 0.00 179.24 178.78 3dgo h ASP 7 N 0.42 0.01 0.80 6.45 3.45 -1.95 -1.76 116.42 123.84 3dgo h ASP 7 Ca 0.03 -0.00 -0.12 0.00 0.43 0.00 0.00 57.03 57.37 3dgo h ASP 7 Cb 0.91 -0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.66 3dgo h ASP 7 CO 0.08 0.09 -0.58 0.44 -1.57 0.00 0.00 179.24 177.70 3dgo h ASP 8 N 0.01 0.00 -0.42 6.45 3.45 -1.87 -1.08 116.42 122.96 3dgo h ASP 8 Ca 0.00 0.00 -0.08 0.00 0.43 0.00 0.00 57.03 57.39 3dgo h ASP 8 Cb 0.13 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.89 3dgo h ASP 8 CO 0.01 0.58 -0.03 0.11 -1.57 0.00 0.00 179.24 178.34 3dgo h LYS 9 N 0.00 0.77 0.42 3.56 1.57 -1.27 -0.70 116.57 120.92 3dgo h LYS 9 Ca -0.01 -0.26 -0.02 0.00 -1.87 0.00 0.00 60.65 58.49 3dgo h LYS 9 Cb 1.13 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.38 3dgo h LYS 9 CO 0.08 0.86 -0.20 -0.22 -0.57 0.00 0.00 179.45 179.39 3dgo h LYS 10 N 0.60 -0.55 -0.76 3.15 1.63 -1.28 -0.77 116.57 118.60 3dgo h LYS 10 Ca 0.12 0.04 0.11 0.00 -0.85 0.00 0.00 60.65 60.06 3dgo h LYS 10 Cb 0.53 0.12 -0.08 0.00 -0.60 0.00 0.00 32.23 32.21 3dgo h LYS 10 CO 0.03 -0.28 0.38 1.15 -3.45 0.00 0.00 179.45 177.28 3dgo h THR 11 N -0.73 0.82 -0.42 1.00 2.02 -1.21 0.60 112.91 114.98 3dgo h THR 11 Ca -0.06 -0.21 -0.14 0.00 0.77 0.00 0.00 66.41 66.77 3dgo h THR 11 Cb 0.52 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 3dgo h THR 11 CO 0.10 0.11 -0.29 0.78 0.37 0.00 0.00 175.52 176.59 3dgo h ASN 12 N 0.62 0.99 -0.40 4.18 2.35 -1.02 0.56 115.58 122.85 3dgo h ASN 12 Ca 0.39 -0.43 0.05 0.00 -0.55 0.00 0.00 56.30 55.76 3dgo h ASN 12 Cb 0.45 -0.27 -0.05 0.00 0.05 0.00 0.00 38.32 38.49 3dgo h ASN 12 CO -0.30 1.20 0.12 -0.50 -1.65 0.00 0.00 177.43 176.31 3dgo h TRP 13 N 0.77 0.21 -0.12 1.19 4.06 -0.51 -0.50 115.95 121.06 3dgo h TRP 13 Ca 0.08 0.02 -0.09 0.00 2.06 0.00 0.00 58.89 60.97 3dgo h TRP 13 Cb 0.87 -0.03 -0.01 0.00 -1.00 0.00 0.00 29.16 28.99 3dgo h TRP 13 CO 0.06 0.07 -0.32 -0.07 -3.56 0.00 0.00 178.44 174.62 3dgo h LEU 14 N 0.27 0.23 -0.31 -4.49 3.38 -0.35 -0.01 115.31 114.03 3dgo h LEU 14 Ca 0.19 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 3dgo h LEU 14 Cb 0.20 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3dgo h LEU 14 CO -0.21 0.54 0.09 0.50 0.09 0.00 0.00 178.44 179.45 3dgo h LYS 15 N 0.20 0.48 -0.02 1.13 3.64 -0.42 -1.51 116.57 120.07 3dgo h LYS 15 Ca 0.03 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3dgo h LYS 15 Cb 0.67 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.42 3dgo h LYS 15 CO 0.05 0.54 0.00 -0.09 -2.27 0.00 0.00 179.45 177.68 3dgo h ARG 16 N 0.34 0.04 -0.81 1.90 2.43 -0.42 -1.75 114.38 116.11 3dgo h ARG 16 Ca 0.10 -0.01 0.17 0.00 -0.81 0.00 0.00 59.98 59.43 3dgo h ARG 16 Cb 0.26 -0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 29.70 3dgo h ARG 16 CO -0.00 0.28 0.33 0.82 -1.51 0.00 0.00 179.97 179.89 3dgo h ILE 17 N -0.21 0.59 -0.11 1.20 2.04 -1.02 -0.57 117.51 119.43 3dgo h ILE 17 Ca 0.01 -0.15 -0.18 0.00 1.00 0.00 0.00 64.86 65.54 3dgo h ILE 17 Cb 0.26 0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 36.46 3dgo h ILE 17 CO 0.00 0.08 -0.69 0.22 0.00 0.00 0.00 178.15 177.76 3dgo h TYR 18 N 0.43 0.63 -0.01 1.37 3.20 -1.14 -3.22 116.97 118.22 3dgo h TYR 18 Ca 0.47 -0.27 -0.08 0.00 3.14 0.00 0.00 58.73 61.99 3dgo h TYR 18 Cb 0.78 -0.10 0.01 0.00 1.54 0.00 0.00 36.73 38.95 3dgo h TYR 18 CO -0.16 1.02 -0.32 -0.09 -1.64 0.00 0.00 178.16 176.97 3dgo h ARG 19 N 0.34 0.24 -0.00 1.82 2.43 -0.36 -3.36 114.38 115.47 3dgo h ARG 19 Ca -0.02 -0.24 0.00 0.00 -0.81 0.00 0.00 59.98 58.90 3dgo h ARG 19 Cb 1.26 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.88 3dgo h ARG 19 CO 0.12 0.95 -0.15 1.33 -1.51 0.00 0.00 179.97 180.71 3dgo n VAL 20 N -4.44 0.00 -3.88 0.20 0.24 -0.32 -4.47 118.33 105.66 3dgo n VAL 20 Ca -0.10 -0.06 -0.30 0.00 -2.04 0.00 0.00 64.34 61.85 3dgo n VAL 20 Cb 0.53 -0.05 -0.14 0.00 -1.47 0.00 0.00 33.84 32.71 3dgo n VAL 20 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3dgo s ARG 21 N -2.57 1.61 1.12 7.34 0.52 -1.22 -5.10 118.95 120.65 3dgo s ARG 21 Ca 0.25 -2.23 -0.14 0.00 -0.52 0.00 0.00 55.73 53.09 3dgo s ARG 21 Cb 0.20 -2.93 0.25 0.00 0.52 0.00 0.00 34.95 32.99 3dgo s ARG 21 CO 0.51 -1.09 1.06 -1.25 0.02 0.00 0.00 175.30 174.55 3dgo s PRO 22 N 0.21 -0.58 -0.32 3.54 0.04 -1.26 -4.67 135.00 131.95 3dgo s PRO 22 Ca 0.16 0.46 -0.35 0.00 0.04 0.00 0.00 61.00 61.31 3dgo s PRO 22 Cb -0.24 -1.62 -0.15 0.00 0.04 0.00 0.00 34.50 32.52 3dgo s PRO 22 CO -0.03 -3.40 1.15 0.00 0.04 0.00 0.00 177.00 174.76 3dgo h VAL 24 N 3.55 0.00 0.00 0.00 -1.51 -1.37 -0.59 116.25 116.33 3dgo h VAL 24 Ca -0.34 0.00 -0.11 0.00 -1.23 0.00 0.00 66.70 65.02 3dgo h VAL 24 Cb 1.05 0.49 -0.02 0.00 -2.13 0.00 0.00 31.29 30.68 3dgo h VAL 24 CO 0.70 0.00 -1.28 1.17 -1.23 0.00 0.00 177.57 176.93 3dgo n LYS 25 N -2.36 0.49 0.04 5.19 3.00 -1.26 -4.56 118.16 118.70 3dgo n LYS 25 Ca -0.01 0.20 0.13 0.00 -0.00 0.00 0.00 58.31 58.62 3dgo n LYS 25 Cb 0.21 -1.35 0.32 0.00 0.00 0.00 0.00 35.03 34.21 3dgo n LYS 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3dgo n LYS 27 N -1.89 -0.54 0.04 0.00 4.76 -0.23 -4.69 118.16 115.61 3dgo n LYS 27 Ca 0.05 0.13 0.00 0.00 -2.87 0.00 0.00 58.31 55.62 3dgo n LYS 27 Cb 0.40 -4.00 0.00 0.00 -1.84 0.00 0.00 35.03 29.59 3dgo n LYS 27 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3dgo n VAL 28 N -2.15 0.63 -1.80 -0.18 0.31 -1.26 -4.82 118.33 109.06 3dgo n VAL 28 Ca 0.00 0.21 -0.39 0.00 -0.01 0.00 0.00 64.34 64.15 3dgo n VAL 28 Cb 0.13 -1.34 0.04 0.00 -0.91 0.00 0.00 33.84 31.76 3dgo n VAL 28 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3dgo s ALA 29 N -2.00 2.89 0.77 3.52 0.00 -1.26 -4.74 121.76 120.93 3dgo s ALA 29 Ca 0.00 1.34 -0.11 0.00 0.00 0.00 0.00 51.96 53.18 3dgo s ALA 29 Cb 0.00 -3.56 0.05 0.00 0.00 0.00 0.00 23.12 19.61 3dgo s ALA 29 CO 0.00 -1.32 1.09 -1.25 0.00 0.00 0.00 175.76 174.28 3dgo s PRO 30 N -2.83 2.29 0.53 0.00 0.04 -1.26 0.49 135.00 134.25 3dgo s PRO 30 Ca 0.70 0.62 -0.17 0.00 0.04 0.00 0.00 61.00 62.19 3dgo s PRO 30 Cb -0.40 -1.94 -0.07 0.00 0.04 0.00 0.00 34.50 32.12 3dgo s PRO 30 CO 0.48 -1.47 1.02 1.03 0.04 0.00 0.00 177.00 178.10 3dgo s ARG 31 N -5.19 3.74 0.89 4.56 0.52 -1.26 -4.05 118.95 118.16 3dgo s ARG 31 Ca 0.60 1.13 -0.11 0.00 -0.52 0.00 0.00 55.73 56.84 3dgo s ARG 31 Cb -0.14 -2.10 0.13 0.00 0.52 0.00 0.00 34.95 33.36 3dgo s ARG 31 CO 0.54 -0.45 1.10 0.34 0.02 0.00 0.00 175.30 176.85 3dgo s ASP 32 N -2.67 3.34 -0.05 0.23 2.15 -0.43 -4.83 116.67 114.42 3dgo s ASP 32 Ca 0.62 1.85 -0.29 0.00 0.43 0.00 0.00 52.55 55.16 3dgo s ASP 32 Cb -0.13 -2.44 0.10 0.00 -0.30 0.00 0.00 42.92 40.16 3dgo s ASP 32 CO 0.29 -2.78 0.87 -1.66 -0.17 0.00 0.00 175.17 171.72 3dgo s TRP 33 N -2.77 -0.41 0.03 -5.34 1.48 -1.26 -0.31 118.94 110.35 3dgo s TRP 33 Ca 0.64 0.49 -0.09 0.00 -1.06 0.00 0.00 56.10 56.08 3dgo s TRP 33 Cb -0.20 0.49 0.00 0.00 -1.16 0.00 0.00 33.47 32.60 3dgo s TRP 33 CO 0.58 -0.51 0.18 -1.59 -4.06 0.00 0.00 176.95 171.55 3dgo s LYS 34 N -2.24 0.63 0.07 3.25 -2.85 -0.43 -4.96 119.74 113.20 3dgo s LYS 34 Ca 0.00 -0.55 -0.25 0.00 -1.00 0.00 0.00 55.97 54.17 3dgo s LYS 34 Cb -0.01 0.26 -0.06 0.00 -2.06 0.00 0.00 37.83 35.96 3dgo s LYS 34 CO -0.03 -0.17 0.75 0.08 0.10 0.00 0.00 175.35 176.08 3dgo s VAL 35 N -2.18 4.65 -0.43 1.79 1.01 -1.26 -1.11 120.40 122.87 3dgo s VAL 35 Ca -0.08 1.61 0.10 0.00 0.00 0.00 0.00 61.98 63.61 3dgo s VAL 35 Cb -0.03 -4.10 0.33 0.00 0.00 0.00 0.00 36.38 32.57 3dgo s VAL 35 CO -0.02 0.42 0.74 1.17 0.00 0.00 0.00 175.10 177.41 3dgo n LYS 36 N 2.45 1.44 0.00 2.72 3.00 0.92 -4.96 118.16 123.74 3dgo n LYS 36 Ca -0.04 -3.70 0.00 0.00 -0.00 0.00 0.00 58.31 54.57 3dgo n LYS 36 Cb 0.50 -1.76 0.00 0.00 0.00 0.00 0.00 35.03 33.77 3dgo n LYS 36 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 3dgo n ASN 37 N 0.38 0.00 -0.39 3.14 2.85 -1.26 -2.78 115.26 117.20 3dgo n ASN 37 Ca 0.26 0.00 0.05 0.00 -0.11 0.00 0.00 54.58 54.77 3dgo n ASN 37 Cb 0.58 0.00 0.05 0.00 1.24 0.00 0.00 39.78 41.65 3dgo n ASN 37 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 3dgo n LYS 38 N 0.00 0.65 -4.21 1.20 5.02 -1.26 -5.02 118.16 114.54 3dgo n LYS 38 Ca 0.00 -1.18 -0.30 0.00 -2.02 0.00 0.00 58.31 54.82 3dgo n LYS 38 Cb 0.00 -1.18 -0.10 0.00 -0.02 0.00 0.00 35.03 33.73 3dgo n LYS 38 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3dgo s HIS 39 N -0.80 2.78 -0.30 2.13 3.76 -1.12 -1.64 115.29 120.11 3dgo s HIS 39 Ca 0.12 -0.13 -0.11 0.00 -0.15 0.00 0.00 55.06 54.79 3dgo s HIS 39 Cb 0.08 -1.45 -0.03 0.00 1.11 0.00 0.00 32.58 32.29 3dgo s HIS 39 CO 0.12 0.44 0.18 -1.17 -0.85 0.00 0.00 174.74 173.45 3dgo s LEU 40 N -2.22 4.11 -0.41 0.89 2.96 0.16 -0.05 118.68 124.11 3dgo s LEU 40 Ca 0.22 -0.28 -0.21 0.00 -0.22 0.00 0.00 54.13 53.65 3dgo s LEU 40 Cb -0.11 -2.07 0.02 0.00 0.50 0.00 0.00 46.19 44.52 3dgo s LEU 40 CO 0.14 -0.14 0.64 -0.60 -1.32 0.00 0.00 176.35 175.08 3dgo s ARG 41 N 1.69 3.42 -0.36 1.98 3.52 -0.27 -0.86 118.95 128.08 3dgo s ARG 41 Ca 0.06 -0.22 -0.20 0.00 -0.13 0.00 0.00 55.73 55.24 3dgo s ARG 41 Cb -0.17 -3.90 0.00 0.00 -1.56 0.00 0.00 34.95 29.33 3dgo s ARG 41 CO 0.09 -0.92 0.63 0.42 -0.81 0.00 0.00 175.30 174.71 3dgo s ILE 42 N 2.80 4.89 0.70 4.11 1.01 0.38 -1.32 121.20 133.76 3dgo s ILE 42 Ca 0.23 0.58 -0.11 0.00 0.00 0.00 0.00 60.65 61.36 3dgo s ILE 42 Cb -0.14 -4.07 0.01 0.00 0.01 0.00 0.00 42.46 38.27 3dgo s ILE 42 CO 0.18 -0.31 1.06 -0.36 0.00 0.00 0.00 174.94 175.51 3dgo s PHE 43 N 2.70 3.11 0.21 3.97 0.08 0.58 -1.65 117.98 126.99 3dgo s PHE 43 Ca 0.24 1.40 0.20 0.00 0.12 0.00 0.00 56.93 58.89 3dgo s PHE 43 Cb -0.14 -2.89 0.80 0.00 -0.57 0.00 0.00 43.02 40.21 3dgo s PHE 43 CO 0.15 -1.26 1.79 -0.91 -0.10 0.00 0.00 175.22 174.89 3dgo h ASN 44 N -0.73 0.00 -3.24 1.36 2.35 -1.37 -3.39 115.58 110.56 3dgo h ASN 44 Ca -0.44 0.00 -0.52 0.00 -0.55 0.00 0.00 56.30 54.79 3dgo h ASN 44 Cb 1.21 0.00 -0.16 0.00 0.05 0.00 0.00 38.32 39.42 3dgo h ASN 44 CO 0.57 0.33 -0.77 -0.04 -1.65 0.00 0.00 177.43 175.87 3dgo s MET 45 N -3.74 1.36 1.09 0.81 -1.94 -1.26 -0.92 119.30 114.70 3dgo s MET 45 Ca -0.01 -1.52 -0.13 0.00 -1.71 0.00 0.00 55.69 52.33 3dgo s MET 45 Cb 0.11 -1.36 0.24 0.00 2.01 0.00 0.00 34.83 35.83 3dgo s MET 45 CO 0.67 0.26 1.06 0.00 -0.01 0.00 0.00 175.02 177.01 3dgo h LYS 47 N -2.28 0.55 0.02 0.00 3.64 -1.92 -2.06 116.57 114.51 3dgo h LYS 47 Ca -0.58 -0.19 -0.00 0.00 -1.27 0.00 0.00 60.65 58.61 3dgo h LYS 47 Cb 1.34 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 3dgo h LYS 47 CO 0.55 0.71 -0.01 1.15 -2.27 0.00 0.00 179.45 179.58 3dgo h THR 48 N 0.49 1.17 -0.54 1.00 2.02 -1.98 0.39 112.91 115.47 3dgo h THR 48 Ca 0.08 -0.57 -0.04 0.00 0.77 0.00 0.00 66.41 66.65 3dgo h THR 48 Cb 0.61 1.55 -0.03 0.00 -1.74 0.00 0.00 68.15 68.54 3dgo h THR 48 CO 0.04 0.15 0.16 0.00 0.37 0.00 0.00 175.52 176.24 3dgo h PHE 50 N 0.78 -0.44 -0.76 0.00 3.57 -1.06 0.62 116.94 119.66 3dgo h PHE 50 Ca 0.18 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.79 3dgo h PHE 50 Cb 0.24 0.14 -0.08 0.00 2.79 0.00 0.00 35.95 39.04 3dgo h PHE 50 CO 0.01 -0.22 0.36 -0.91 -2.23 0.00 0.00 178.31 175.33 3dgo h ASN 51 N -0.55 0.44 -0.51 0.41 2.35 -0.84 -1.17 115.58 115.70 3dgo h ASN 51 Ca -0.05 0.08 0.02 0.00 -0.55 0.00 0.00 56.30 55.81 3dgo h ASN 51 Cb 0.41 0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.76 3dgo h ASN 51 CO 0.08 0.22 0.30 -1.13 -1.65 0.00 0.00 177.43 175.25 3dgo h ASN 52 N 0.57 0.49 -0.88 5.81 -1.24 -1.06 -2.26 115.58 117.01 3dgo h ASN 52 Ca 0.40 0.01 0.09 0.00 0.71 0.00 0.00 56.30 57.50 3dgo h ASN 52 Cb 0.51 -0.10 -0.06 0.00 0.73 0.00 0.00 38.32 39.40 3dgo h ASN 52 CO -0.33 0.35 0.57 0.77 -1.29 0.00 0.00 177.43 177.50 3dgo h SER 53 N 0.60 0.81 0.23 1.15 4.64 0.38 0.23 113.55 121.60 3dgo h SER 53 Ca 0.21 0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.53 3dgo h SER 53 Cb 0.02 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 3dgo h SER 53 CO -0.09 0.49 -0.11 0.40 -0.87 0.00 0.00 176.83 176.64 3dgo h ILE 54 N 0.90 0.80 -0.77 0.95 1.08 -1.03 0.35 117.51 119.78 3dgo h ILE 54 Ca 0.40 -0.13 0.12 0.00 -0.39 0.00 0.00 64.86 64.86 3dgo h ILE 54 Cb 0.37 0.87 -0.05 0.00 -3.07 0.00 0.00 36.82 34.94 3dgo h ILE 54 CO -0.17 0.03 0.51 0.44 -0.69 0.00 0.00 178.15 178.27 3dgo h ASP 55 N -0.37 0.55 0.46 1.72 3.32 -0.86 -2.22 116.42 119.03 3dgo h ASP 55 Ca -0.03 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3dgo h ASP 55 Cb 0.28 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.74 3dgo h ASP 55 CO 0.05 0.31 -0.41 2.30 -1.72 0.00 0.00 179.24 179.77 3dgo n ILE 56 N -4.50 0.00 -1.59 0.35 -5.35 -0.04 -4.94 119.36 103.29 3dgo n ILE 56 Ca 0.14 -0.03 0.00 0.00 -0.27 0.00 0.00 62.75 62.59 3dgo n ILE 56 Cb 0.40 0.23 0.00 0.00 -1.74 0.00 0.00 39.64 38.54 3dgo n ILE 56 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3dgo n GLY 57 N 1.46 0.61 3.18 3.28 0.00 -0.29 -5.05 105.19 108.38 3dgo n GLY 57 Ca 0.07 -0.77 -0.34 0.00 0.00 0.00 0.00 46.02 44.98 3dgo n GLY 57 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3dgo s ASP 58 N -2.84 3.86 -0.03 1.61 2.15 -0.04 -4.97 116.67 116.40 3dgo s ASP 58 Ca 0.00 -0.72 0.16 0.00 0.43 0.00 0.00 52.55 52.41 3dgo s ASP 58 Cb 0.00 -1.60 0.48 0.00 -0.30 0.00 0.00 42.92 41.50 3dgo s ASP 58 CO 0.00 -0.06 1.40 -0.90 -0.17 0.00 0.00 175.17 175.44 3dgo n ASP 59 N 4.66 3.57 -0.31 -0.34 5.75 -1.26 -4.51 116.55 124.11 3dgo n ASP 59 Ca -0.18 -2.16 0.05 0.00 -0.01 0.00 0.00 54.79 52.48 3dgo n ASP 59 Cb 0.49 -0.38 0.25 0.00 -1.03 0.00 0.00 41.12 40.44 3dgo n ASP 59 CO 0.00 0.00 0.00 0.74 -0.11 0.00 0.00 177.20 177.83 3dgo h THR 60 N 2.91 1.04 -0.46 2.12 2.02 -1.97 -2.71 112.91 115.85 3dgo h THR 60 Ca 0.00 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 66.84 3dgo h THR 60 Cb 0.98 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.33 3dgo h THR 60 CO 0.06 0.18 0.00 -1.22 0.37 0.00 0.00 175.52 174.91 3dgo n TYR 61 N -4.51 0.60 -2.07 3.16 4.01 -1.26 -4.97 117.16 112.12 3dgo n TYR 61 Ca 0.14 -0.30 -0.42 0.00 -0.16 0.00 0.00 57.90 57.16 3dgo n TYR 61 Cb 0.23 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.23 3dgo n TYR 61 CO 0.00 0.00 0.00 -1.01 -0.46 0.00 0.00 176.86 175.39 3dgo s HIS 62 N -1.39 3.15 -5.00 -0.72 3.76 -1.03 -4.56 115.29 109.51 3dgo s HIS 62 Ca 0.41 0.87 0.00 0.00 -0.15 0.00 0.00 55.06 56.19 3dgo s HIS 62 Cb 0.23 -3.78 0.00 0.00 1.11 0.00 0.00 32.58 30.14 3dgo s HIS 62 CO 0.32 -2.74 0.00 0.41 -0.85 0.00 0.00 174.74 171.88 3dgo n GLY 63 N 3.29 -0.89 3.82 -2.22 0.00 -1.26 -4.99 105.19 102.94 3dgo n GLY 63 Ca 0.11 -1.53 -0.06 0.00 0.00 0.00 0.00 46.02 44.54 3dgo n GLY 63 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3dgo s HIS 64 N -2.14 -0.19 -0.04 1.61 -3.43 -1.26 -1.12 115.29 108.72 3dgo s HIS 64 Ca 0.00 -0.23 0.00 0.00 -0.80 0.00 0.00 55.06 54.04 3dgo s HIS 64 Cb 0.00 0.69 0.02 0.00 -1.43 0.00 0.00 32.58 31.86 3dgo s HIS 64 CO 0.00 -1.13 -0.02 0.08 -2.00 0.00 0.00 174.74 171.67 3dgo s VAL 65 N -3.76 0.37 0.02 -5.38 1.01 -0.66 -4.96 120.40 107.05 3dgo s VAL 65 Ca 0.11 0.00 -0.11 0.00 0.00 0.00 0.00 61.98 61.98 3dgo s VAL 65 Cb -0.05 -0.45 -0.05 0.00 0.00 0.00 0.00 36.38 35.83 3dgo s VAL 65 CO 0.05 0.20 0.36 -1.81 0.00 0.00 0.00 175.10 173.91 3dgo s ASP 66 N 1.14 6.67 -0.07 3.32 1.01 -1.26 -0.47 116.67 127.01 3dgo s ASP 66 Ca -0.08 0.81 0.01 0.00 0.71 0.00 0.00 52.55 54.00 3dgo s ASP 66 Cb -0.14 -2.19 0.02 0.00 1.01 0.00 0.00 42.92 41.62 3dgo s ASP 66 CO -0.01 0.27 -0.08 0.26 0.21 0.00 0.00 175.17 175.82 3dgo s TRP 67 N -1.21 1.24 0.11 4.23 0.52 -0.04 -4.97 118.94 118.81 3dgo s TRP 67 Ca 0.27 -0.49 -0.31 0.00 0.02 0.00 0.00 56.10 55.59 3dgo s TRP 67 Cb -0.15 -1.00 -0.09 0.00 -1.15 0.00 0.00 33.47 31.09 3dgo s TRP 67 CO 0.14 -0.32 1.60 -1.17 0.02 0.00 0.00 176.95 177.22 3dgo s LEU 68 N 1.10 4.37 0.00 2.99 2.96 -1.26 -0.67 118.68 128.17 3dgo s LEU 68 Ca -0.07 2.53 0.29 0.00 -0.22 0.00 0.00 54.13 56.66 3dgo s LEU 68 Cb -0.14 -3.58 1.30 0.00 0.50 0.00 0.00 46.19 44.27 3dgo s LEU 68 CO -0.01 -0.85 1.93 0.23 -1.32 0.00 0.00 176.35 176.34 3dgo n MET 69 N 4.85 0.28 -4.34 1.98 2.81 -0.65 -4.85 117.12 117.20 3dgo n MET 69 Ca 0.15 -0.04 -0.24 0.00 -1.81 0.00 0.00 57.70 55.76 3dgo n MET 69 Cb 0.40 -1.50 -0.08 0.00 -0.71 0.00 0.00 33.22 31.32 3dgo n MET 69 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 3dgo s TYR 70 N -2.74 2.55 -0.02 2.03 1.51 -1.26 -4.63 117.35 114.78 3dgo s TYR 70 Ca 0.22 -0.40 0.11 0.00 -1.01 0.00 0.00 57.07 55.99 3dgo s TYR 70 Cb 0.20 -1.41 -0.07 0.00 -0.11 0.00 0.00 41.96 40.57 3dgo s TYR 70 CO 0.51 0.52 1.37 0.00 -1.11 0.00 0.00 175.55 176.83 3dgo h ALA 71 N 1.86 0.52 -3.63 3.71 0.00 -1.86 -3.45 119.26 116.40 3dgo h ALA 71 Ca -0.43 -0.68 -0.67 0.00 0.00 0.00 0.00 54.91 53.13 3dgo h ALA 71 Cb 1.25 -0.12 -0.26 0.00 0.00 0.00 0.00 17.79 18.66 3dgo h ALA 71 CO 0.65 0.94 -0.77 0.34 0.00 0.00 0.00 179.25 180.40 3dgo s ASP 72 N -6.59 3.95 0.00 0.00 -1.08 -1.26 -5.02 116.67 106.67 3dgo s ASP 72 Ca 0.02 -0.29 0.28 0.00 -0.52 0.00 0.00 52.55 52.05 3dgo s ASP 72 Cb 0.09 -1.27 1.07 0.00 -1.46 0.00 0.00 42.92 41.34 3dgo s ASP 72 CO 0.78 0.24 1.76 -1.54 0.52 0.00 0.00 175.17 176.93