#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dgm h ASP 6 N 0.00 0.60 -0.46 1.67 3.32 -2.01 -1.79 116.42 117.75 3dgm h ASP 6 Ca 0.00 -0.03 0.07 0.00 0.02 0.00 0.00 57.03 57.09 3dgm h ASP 6 Cb 0.00 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.37 3dgm h ASP 6 CO 0.00 0.46 0.31 0.44 -1.72 0.00 0.00 179.24 178.73 3dgm h ASP 7 N 0.70 0.31 0.06 6.45 3.45 -1.96 -1.68 116.42 123.75 3dgm h ASP 7 Ca 0.18 0.00 -0.12 0.00 0.43 0.00 0.00 57.03 57.52 3dgm h ASP 7 Cb -0.03 -0.07 -0.01 0.00 -0.56 0.00 0.00 39.33 38.66 3dgm h ASP 7 CO -0.04 0.20 -0.41 0.44 -1.57 0.00 0.00 179.24 177.87 3dgm h ASP 8 N 0.35 0.46 0.04 6.45 3.45 -1.74 -1.58 116.42 123.86 3dgm h ASP 8 Ca 0.20 -0.20 0.00 0.00 0.43 0.00 0.00 57.03 57.47 3dgm h ASP 8 Cb 0.35 -0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 38.99 3dgm h ASP 8 CO -0.05 0.82 -0.05 0.11 -1.57 0.00 0.00 179.24 178.50 3dgm h LYS 9 N 0.37 -0.11 -0.17 3.56 1.57 -1.24 0.44 116.57 120.99 3dgm h LYS 9 Ca 0.03 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.85 3dgm h LYS 9 Cb 0.87 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.17 3dgm h LYS 9 CO 0.07 -0.07 -0.04 -0.22 -0.57 0.00 0.00 179.45 178.62 3dgm h LYS 10 N -0.11 0.00 -0.38 3.15 1.63 -1.32 -1.61 116.57 117.93 3dgm h LYS 10 Ca 0.01 -0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.81 3dgm h LYS 10 Cb 0.12 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.73 3dgm h LYS 10 CO -0.03 0.00 0.23 1.15 -3.45 0.00 0.00 179.45 177.35 3dgm h THR 11 N 0.00 1.12 -0.33 1.00 2.02 -1.00 -0.70 112.91 115.03 3dgm h THR 11 Ca 0.08 -0.28 -0.09 0.00 0.77 0.00 0.00 66.41 66.90 3dgm h THR 11 Cb 0.12 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 3dgm h THR 11 CO -0.17 0.12 -0.15 0.78 0.37 0.00 0.00 175.52 176.47 3dgm h ASN 12 N 0.50 0.58 -0.66 4.18 2.35 -0.83 -0.12 115.58 121.57 3dgm h ASN 12 Ca 0.14 -0.17 -0.05 0.00 -0.55 0.00 0.00 56.30 55.67 3dgm h ASN 12 Cb -0.00 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.19 3dgm h ASN 12 CO -0.03 0.75 0.22 -0.50 -1.65 0.00 0.00 177.43 176.23 3dgm h TRP 13 N 0.53 1.04 -0.72 1.19 -0.00 -0.80 -2.11 115.95 115.09 3dgm h TRP 13 Ca 0.09 -0.10 -0.06 0.00 -0.00 0.00 0.00 58.89 58.82 3dgm h TRP 13 Cb 0.57 -0.30 -0.03 0.00 -0.00 0.00 0.00 29.16 29.40 3dgm h TRP 13 CO 0.02 0.83 0.20 -0.07 -0.00 0.00 0.00 178.44 179.43 3dgm h LEU 14 N 0.94 1.06 -0.30 -4.49 3.38 -0.49 0.45 115.31 115.88 3dgm h LEU 14 Ca 0.21 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3dgm h LEU 14 Cb 0.27 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3dgm h LEU 14 CO -0.01 1.00 0.01 0.11 0.09 0.00 0.00 178.44 179.64 3dgm h LYS 15 N 1.08 0.51 0.04 1.13 1.57 -1.01 -1.63 116.57 118.26 3dgm h LYS 15 Ca 0.23 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3dgm h LYS 15 Cb 0.33 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 3dgm h LYS 15 CO -0.00 0.65 -0.05 -0.09 -0.57 0.00 0.00 179.45 179.39 3dgm h ARG 16 N 0.31 -0.10 -0.56 3.15 2.43 -1.27 -1.45 114.38 116.90 3dgm h ARG 16 Ca 0.09 0.01 0.11 0.00 -0.81 0.00 0.00 59.98 59.37 3dgm h ARG 16 Cb 0.41 0.02 -0.09 0.00 -0.42 0.00 0.00 29.97 29.90 3dgm h ARG 16 CO 0.01 -0.06 0.06 0.82 -1.51 0.00 0.00 179.97 179.29 3dgm h ILE 17 N -0.10 0.61 -0.67 1.20 2.04 -0.87 -0.88 117.51 118.84 3dgm h ILE 17 Ca 0.01 -0.06 -0.05 0.00 1.00 0.00 0.00 64.86 65.75 3dgm h ILE 17 Cb 0.10 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 36.57 3dgm h ILE 17 CO -0.02 0.03 0.21 0.22 0.00 0.00 0.00 178.15 178.59 3dgm h TYR 18 N 0.18 1.05 -0.06 1.37 3.20 -1.21 -3.23 116.97 118.27 3dgm h TYR 18 Ca 0.29 -0.09 -0.10 0.00 3.14 0.00 0.00 58.73 61.97 3dgm h TYR 18 Cb 0.44 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.40 3dgm h TYR 18 CO -0.29 0.83 -0.34 -0.09 -1.64 0.00 0.00 178.16 176.63 3dgm h ARG 19 N 0.98 0.34 0.00 1.82 2.43 -0.33 -3.36 114.38 116.26 3dgm h ARG 19 Ca 0.22 -0.28 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3dgm h ARG 19 Cb 0.28 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 3dgm h ARG 19 CO -0.01 0.93 -0.38 1.33 -1.51 0.00 0.00 179.97 180.34 3dgm n VAL 20 N -4.41 0.20 -3.95 0.20 0.24 -0.43 -4.49 118.33 105.70 3dgm n VAL 20 Ca -0.09 -0.13 -0.30 0.00 -2.04 0.00 0.00 64.34 61.78 3dgm n VAL 20 Cb 0.52 -0.14 -0.15 0.00 -1.47 0.00 0.00 33.84 32.60 3dgm n VAL 20 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3dgm s ARG 21 N -3.07 1.50 1.19 7.34 0.52 -1.22 -5.11 118.95 120.11 3dgm s ARG 21 Ca 0.10 -1.99 -0.17 0.00 -0.52 0.00 0.00 55.73 53.15 3dgm s ARG 21 Cb 0.16 -3.03 0.28 0.00 0.52 0.00 0.00 34.95 32.87 3dgm s ARG 21 CO 0.66 -1.01 1.07 -1.25 0.02 0.00 0.00 175.30 174.79 3dgm s PRO 22 N 0.64 -1.10 0.03 3.54 0.04 -1.26 -4.66 135.00 132.23 3dgm s PRO 22 Ca 0.13 0.19 -0.37 0.00 0.04 0.00 0.00 61.00 60.98 3dgm s PRO 22 Cb -0.21 -1.59 -0.19 0.00 0.04 0.00 0.00 34.50 32.55 3dgm s PRO 22 CO -0.07 -3.68 0.97 0.00 0.04 0.00 0.00 177.00 174.25 3dgm h VAL 24 N 2.64 0.00 0.00 0.00 -1.51 -1.43 -0.20 116.25 115.75 3dgm h VAL 24 Ca -0.47 -0.18 -0.22 0.00 -1.23 0.00 0.00 66.70 64.61 3dgm h VAL 24 Cb 1.41 0.86 -0.03 0.00 -2.13 0.00 0.00 31.29 31.39 3dgm h VAL 24 CO 0.63 0.00 -1.68 1.17 -1.23 0.00 0.00 177.57 176.45 3dgm n LYS 25 N -2.32 0.51 0.08 5.19 3.00 -1.26 -4.60 118.16 118.76 3dgm n LYS 25 Ca 0.01 0.22 0.12 0.00 -0.00 0.00 0.00 58.31 58.65 3dgm n LYS 25 Cb 0.17 -1.38 0.08 0.00 0.00 0.00 0.00 35.03 33.91 3dgm n LYS 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3dgm n LYS 27 N -2.34 -1.29 0.03 0.00 4.76 -0.09 -4.76 118.16 114.47 3dgm n LYS 27 Ca 0.02 0.32 -0.01 0.00 -2.87 0.00 0.00 58.31 55.77 3dgm n LYS 27 Cb 0.49 -4.53 -0.00 0.00 -1.84 0.00 0.00 35.03 29.14 3dgm n LYS 27 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3dgm n VAL 28 N -2.14 1.22 -2.01 -0.18 0.31 -1.26 -4.75 118.33 109.52 3dgm n VAL 28 Ca 0.00 0.35 -0.38 0.00 -0.01 0.00 0.00 64.34 64.30 3dgm n VAL 28 Cb 0.32 -1.68 0.01 0.00 -0.91 0.00 0.00 33.84 31.59 3dgm n VAL 28 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3dgm s ALA 29 N -2.11 2.94 0.86 3.52 0.00 -1.26 -4.68 121.76 121.03 3dgm s ALA 29 Ca -0.04 1.16 -0.11 0.00 0.00 0.00 0.00 51.96 52.98 3dgm s ALA 29 Cb 0.01 -3.48 0.11 0.00 0.00 0.00 0.00 23.12 19.75 3dgm s ALA 29 CO 0.06 -1.02 1.15 -2.14 0.00 0.00 0.00 175.76 173.81 3dgm s PRO 30 N -2.73 1.41 0.46 0.00 0.02 -1.26 0.15 135.00 133.04 3dgm s PRO 30 Ca 0.66 1.55 -0.22 0.00 0.02 0.00 0.00 61.00 63.02 3dgm s PRO 30 Cb -0.35 -1.77 -0.08 0.00 0.02 0.00 0.00 34.50 32.31 3dgm s PRO 30 CO 0.43 -2.34 1.08 1.03 -0.33 0.00 0.00 177.00 176.87 3dgm s ARG 31 N -4.52 3.86 0.82 5.54 0.52 -1.26 -4.00 118.95 119.92 3dgm s ARG 31 Ca 0.68 1.53 -0.11 0.00 -0.52 0.00 0.00 55.73 57.31 3dgm s ARG 31 Cb -0.24 -2.30 0.09 0.00 0.52 0.00 0.00 34.95 33.02 3dgm s ARG 31 CO 0.55 -0.41 1.12 0.34 0.02 0.00 0.00 175.30 176.93 3dgm s ASP 32 N -1.68 3.86 0.10 0.23 2.15 -0.30 -4.85 116.67 116.17 3dgm s ASP 32 Ca 0.64 2.01 -0.25 0.00 0.43 0.00 0.00 52.55 55.38 3dgm s ASP 32 Cb -0.22 -2.55 0.08 0.00 -0.30 0.00 0.00 42.92 39.94 3dgm s ASP 32 CO 0.26 -2.47 0.72 -1.66 -0.17 0.00 0.00 175.17 171.85 3dgm s TRP 33 N -2.72 -0.45 0.11 -5.34 1.48 -1.26 -1.33 118.94 109.43 3dgm s TRP 33 Ca 0.64 0.27 -0.14 0.00 -1.06 0.00 0.00 56.10 55.82 3dgm s TRP 33 Cb -0.20 0.55 0.02 0.00 -1.16 0.00 0.00 33.47 32.68 3dgm s TRP 33 CO 0.55 -0.73 0.33 -1.59 -4.06 0.00 0.00 176.95 171.45 3dgm s LYS 34 N -3.50 0.98 -0.09 3.25 -2.85 -0.42 -4.98 119.74 112.13 3dgm s LYS 34 Ca 0.03 -0.78 -0.21 0.00 -1.00 0.00 0.00 55.97 54.01 3dgm s LYS 34 Cb -0.01 0.42 -0.04 0.00 -2.06 0.00 0.00 37.83 36.14 3dgm s LYS 34 CO -0.11 -0.36 0.60 0.08 0.10 0.00 0.00 175.35 175.66 3dgm s VAL 35 N -3.75 5.11 -0.43 1.79 1.01 -1.26 -0.81 120.40 122.05 3dgm s VAL 35 Ca 0.03 1.23 0.02 0.00 0.00 0.00 0.00 61.98 63.26 3dgm s VAL 35 Cb 0.03 -3.94 0.15 0.00 0.00 0.00 0.00 36.38 32.61 3dgm s VAL 35 CO -0.11 0.28 0.28 -0.75 0.00 0.00 0.00 175.10 174.80 3dgm s LYS 36 N 0.72 1.10 4.02 2.72 2.47 -0.17 -4.97 119.74 125.62 3dgm s LYS 36 Ca 0.32 -1.96 0.00 0.00 -1.56 0.00 0.00 55.97 52.78 3dgm s LYS 36 Cb -0.17 -1.93 0.00 0.00 -1.46 0.00 0.00 37.83 34.27 3dgm s LYS 36 CO 0.15 -1.24 0.00 0.27 0.16 0.00 0.00 175.35 174.69 3dgm n ASN 37 N 3.39 0.00 -0.87 1.43 0.23 -1.26 -1.30 115.26 116.88 3dgm n ASN 37 Ca 0.15 0.00 0.08 0.00 -0.53 0.00 0.00 54.58 54.28 3dgm n ASN 37 Cb 0.38 0.00 0.23 0.00 -2.08 0.00 0.00 39.78 38.32 3dgm n ASN 37 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 3dgm n LYS 38 N 0.00 3.02 -4.40 -3.83 5.02 -1.26 -4.99 118.16 111.72 3dgm n LYS 38 Ca 0.00 -2.58 -0.32 0.00 -2.02 0.00 0.00 58.31 53.40 3dgm n LYS 38 Cb 0.00 -1.66 -0.10 0.00 -0.02 0.00 0.00 35.03 33.25 3dgm n LYS 38 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3dgm s HIS 39 N -2.13 2.87 -0.24 2.13 3.76 -0.42 -1.14 115.29 120.13 3dgm s HIS 39 Ca 0.36 -0.06 -0.15 0.00 -0.15 0.00 0.00 55.06 55.06 3dgm s HIS 39 Cb 0.27 -1.57 -0.04 0.00 1.11 0.00 0.00 32.58 32.34 3dgm s HIS 39 CO 0.12 0.39 0.39 -1.17 -0.85 0.00 0.00 174.74 173.62 3dgm s LEU 40 N -1.60 4.09 -0.34 0.89 2.96 0.92 -1.00 118.68 124.60 3dgm s LEU 40 Ca 0.18 0.39 -0.15 0.00 -0.22 0.00 0.00 54.13 54.34 3dgm s LEU 40 Cb -0.11 -2.47 -0.01 0.00 0.50 0.00 0.00 46.19 44.10 3dgm s LEU 40 CO 0.09 -0.14 0.36 -0.60 -1.32 0.00 0.00 176.35 174.74 3dgm s ARG 41 N 1.75 3.59 -0.35 1.98 3.52 0.01 -0.09 118.95 129.35 3dgm s ARG 41 Ca 0.17 -0.40 -0.11 0.00 -0.13 0.00 0.00 55.73 55.26 3dgm s ARG 41 Cb -0.15 -3.80 0.01 0.00 -1.56 0.00 0.00 34.95 29.46 3dgm s ARG 41 CO 0.09 -0.51 0.19 0.42 -0.81 0.00 0.00 175.30 174.68 3dgm s ILE 42 N 2.01 4.62 0.65 4.11 1.01 -0.42 -1.30 121.20 131.88 3dgm s ILE 42 Ca 0.12 -0.69 -0.13 0.00 0.00 0.00 0.00 60.65 59.94 3dgm s ILE 42 Cb -0.17 -3.50 -0.01 0.00 0.01 0.00 0.00 42.46 38.80 3dgm s ILE 42 CO 0.12 -0.13 1.07 -0.31 0.00 0.00 0.00 174.94 175.68 3dgm s TYR 43 N 1.58 2.95 0.34 3.97 2.02 -0.44 -1.28 117.35 126.50 3dgm s TYR 43 Ca 0.03 1.49 0.17 0.00 -0.37 0.00 0.00 57.07 58.39 3dgm s TYR 43 Cb -0.18 -2.98 0.86 0.00 -0.40 0.00 0.00 41.96 39.26 3dgm s TYR 43 CO 0.07 -1.28 1.86 -0.91 -1.57 0.00 0.00 175.55 173.72 3dgm h ASN 44 N -0.16 0.00 -2.94 2.29 2.35 -1.40 -3.40 115.58 112.32 3dgm h ASN 44 Ca -0.45 0.00 -0.63 0.00 -0.55 0.00 0.00 56.30 54.66 3dgm h ASN 44 Cb 1.22 0.00 -0.16 0.00 0.05 0.00 0.00 38.32 39.43 3dgm h ASN 44 CO 0.56 0.32 -0.77 -0.04 -1.65 0.00 0.00 177.43 175.85 3dgm s MET 45 N -4.09 1.79 1.10 0.81 -1.94 -1.26 -1.03 119.30 114.68 3dgm s MET 45 Ca -0.02 -1.45 -0.13 0.00 -1.71 0.00 0.00 55.69 52.37 3dgm s MET 45 Cb 0.14 -1.97 0.24 0.00 2.01 0.00 0.00 34.83 35.25 3dgm s MET 45 CO 0.69 0.40 1.06 0.00 -0.01 0.00 0.00 175.02 177.16 3dgm h LYS 47 N -2.31 0.83 -0.49 0.00 1.63 -1.92 -0.98 116.57 113.33 3dgm h LYS 47 Ca -0.57 -0.43 0.04 0.00 -0.85 0.00 0.00 60.65 58.84 3dgm h LYS 47 Cb 1.33 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 32.93 3dgm h LYS 47 CO 0.53 1.07 0.24 1.15 -3.45 0.00 0.00 179.45 178.99 3dgm h THR 48 N 0.62 0.95 -0.30 1.00 2.02 -1.97 0.49 112.91 115.72 3dgm h THR 48 Ca 0.06 -0.16 -0.17 0.00 0.77 0.00 0.00 66.41 66.90 3dgm h THR 48 Cb 0.90 0.44 -0.00 0.00 -1.74 0.00 0.00 68.15 67.75 3dgm h THR 48 CO 0.08 0.09 -0.50 0.00 0.37 0.00 0.00 175.52 175.56 3dgm h PHE 50 N 0.65 -0.78 -0.71 0.00 3.57 -0.64 0.58 116.94 119.62 3dgm h PHE 50 Ca 0.03 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.64 3dgm h PHE 50 Cb 1.09 0.31 -0.08 0.00 2.79 0.00 0.00 35.95 40.06 3dgm h PHE 50 CO 0.06 -0.41 0.33 -0.91 -2.23 0.00 0.00 178.31 175.15 3dgm h ASN 51 N -0.59 0.39 -0.71 0.41 2.35 -0.94 -1.95 115.58 114.56 3dgm h ASN 51 Ca -0.00 0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.82 3dgm h ASN 51 Cb 0.56 0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.91 3dgm h ASN 51 CO -0.08 0.21 0.43 -1.13 -1.65 0.00 0.00 177.43 175.20 3dgm h ASN 52 N 0.54 0.85 0.03 5.81 -1.24 -1.10 -2.50 115.58 117.97 3dgm h ASN 52 Ca 0.36 -0.06 -0.01 0.00 0.71 0.00 0.00 56.30 57.30 3dgm h ASN 52 Cb 0.42 -0.21 -0.00 0.00 0.73 0.00 0.00 38.32 39.26 3dgm h ASN 52 CO -0.30 0.66 -0.03 0.77 -1.29 0.00 0.00 177.43 177.24 3dgm h SER 53 N 0.96 0.00 -0.27 1.15 4.64 -0.10 -0.61 113.55 119.33 3dgm h SER 53 Ca 0.25 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.48 3dgm h SER 53 Cb -0.03 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.05 3dgm h SER 53 CO -0.05 0.03 -0.19 0.40 -0.87 0.00 0.00 176.83 176.14 3dgm h ILE 54 N 0.00 1.31 -0.64 0.95 1.08 -1.18 0.12 117.51 119.15 3dgm h ILE 54 Ca -0.00 -1.33 -0.07 0.00 -0.39 0.00 0.00 64.86 63.07 3dgm h ILE 54 Cb 0.05 1.58 -0.03 0.00 -3.07 0.00 0.00 36.82 35.35 3dgm h ILE 54 CO 0.00 0.42 0.13 0.44 -0.69 0.00 0.00 178.15 178.45 3dgm h ASP 55 N 0.33 0.99 1.09 1.72 3.32 -0.88 -3.00 116.42 119.99 3dgm h ASP 55 Ca 0.05 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 56.85 3dgm h ASP 55 Cb 0.73 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.02 3dgm h ASP 55 CO 0.05 0.98 -0.08 2.30 -1.72 0.00 0.00 179.24 180.78 3dgm n ILE 56 N -4.29 0.19 -2.09 0.35 -5.35 -0.37 -4.94 119.36 102.86 3dgm n ILE 56 Ca 0.04 -0.10 -0.00 0.00 -0.27 0.00 0.00 62.75 62.42 3dgm n ILE 56 Cb 0.27 -0.44 0.00 0.00 -1.74 0.00 0.00 39.64 37.73 3dgm n ILE 56 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3dgm n GLY 57 N 1.44 0.45 3.30 3.28 0.00 -0.73 -5.05 105.19 107.87 3dgm n GLY 57 Ca 0.06 -0.84 -0.35 0.00 0.00 0.00 0.00 46.02 44.89 3dgm n GLY 57 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3dgm s ASP 58 N -2.99 4.45 -0.05 1.61 2.15 0.33 -4.96 116.67 117.21 3dgm s ASP 58 Ca 0.00 -0.52 0.19 0.00 0.43 0.00 0.00 52.55 52.65 3dgm s ASP 58 Cb -0.00 -1.75 0.61 0.00 -0.30 0.00 0.00 42.92 41.48 3dgm s ASP 58 CO 0.00 -0.06 1.52 -0.90 -0.17 0.00 0.00 175.17 175.56 3dgm n ASP 59 N 4.79 4.07 -0.22 -0.34 5.75 -1.26 -4.58 116.55 124.75 3dgm n ASP 59 Ca -0.17 -2.19 0.02 0.00 -0.01 0.00 0.00 54.79 52.43 3dgm n ASP 59 Cb 0.50 -0.48 0.14 0.00 -1.03 0.00 0.00 41.12 40.24 3dgm n ASP 59 CO 0.00 0.00 0.00 0.74 -0.11 0.00 0.00 177.20 177.83 3dgm h THR 60 N 3.76 0.71 -0.20 2.12 2.02 -1.97 -2.45 112.91 116.89 3dgm h THR 60 Ca 0.00 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.04 3dgm h THR 60 Cb 1.13 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.81 3dgm h THR 60 CO 0.09 0.07 0.00 -1.22 0.37 0.00 0.00 175.52 174.83 3dgm n TYR 61 N -5.02 0.24 -1.74 3.16 4.01 -1.26 -4.96 117.16 111.59 3dgm n TYR 61 Ca 0.11 -0.12 -0.41 0.00 -0.16 0.00 0.00 57.90 57.32 3dgm n TYR 61 Cb 0.33 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.37 3dgm n TYR 61 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 3dgm n HIS 62 N 1.15 2.53 0.00 -0.72 8.25 -0.93 -4.60 115.22 120.91 3dgm n HIS 62 Ca 0.17 0.47 0.00 0.00 -0.26 0.00 0.00 57.72 58.10 3dgm n HIS 62 Cb 0.54 -2.44 0.00 0.00 1.12 0.00 0.00 29.99 29.21 3dgm n HIS 62 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3dgm n GLY 63 N 0.65 1.04 3.78 -1.41 0.00 -1.26 -4.98 105.19 103.01 3dgm n GLY 63 Ca 0.05 -1.88 -0.04 0.00 0.00 0.00 0.00 46.02 44.15 3dgm n GLY 63 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3dgm s HIS 64 N -1.15 -0.13 -0.04 1.61 -3.43 -1.26 -1.16 115.29 109.72 3dgm s HIS 64 Ca 0.00 -0.21 -0.01 0.00 -0.80 0.00 0.00 55.06 54.04 3dgm s HIS 64 Cb 0.00 0.66 0.03 0.00 -1.43 0.00 0.00 32.58 31.84 3dgm s HIS 64 CO 0.00 -0.92 0.02 0.08 -2.00 0.00 0.00 174.74 171.92 3dgm s VAL 65 N -3.35 0.17 0.04 -5.38 1.01 -0.40 -4.94 120.40 107.54 3dgm s VAL 65 Ca 0.12 0.18 -0.20 0.00 0.00 0.00 0.00 61.98 62.09 3dgm s VAL 65 Cb -0.02 -0.32 -0.06 0.00 0.00 0.00 0.00 36.38 35.98 3dgm s VAL 65 CO 0.03 0.19 0.58 -1.81 0.00 0.00 0.00 175.10 174.09 3dgm s ASP 66 N 1.59 7.03 -0.09 3.32 1.01 -1.26 -1.30 116.67 126.96 3dgm s ASP 66 Ca -0.02 1.22 0.01 0.00 0.71 0.00 0.00 52.55 54.47 3dgm s ASP 66 Cb -0.13 -2.36 0.02 0.00 1.01 0.00 0.00 42.92 41.46 3dgm s ASP 66 CO -0.03 0.20 -0.10 0.26 0.21 0.00 0.00 175.17 175.71 3dgm s TRP 67 N -0.70 1.50 0.17 4.23 0.52 0.87 -4.95 118.94 120.58 3dgm s TRP 67 Ca 0.30 -0.67 -0.32 0.00 0.02 0.00 0.00 56.10 55.43 3dgm s TRP 67 Cb -0.19 -1.18 -0.12 0.00 -1.15 0.00 0.00 33.47 30.84 3dgm s TRP 67 CO 0.18 -0.41 1.76 -0.11 0.02 0.00 0.00 176.95 178.39 3dgm n LEU 68 N 4.42 3.94 0.10 2.99 7.94 -1.26 -0.06 117.00 135.07 3dgm n LEU 68 Ca -0.18 1.03 0.13 0.00 -1.11 0.00 0.00 56.01 55.89 3dgm n LEU 68 Cb 0.51 -1.55 0.36 0.00 0.53 0.00 0.00 43.42 43.27 3dgm n LEU 68 CO 0.21 0.14 0.81 0.24 -1.11 0.00 0.00 177.39 177.68 3dgm h MET 69 N 7.43 0.00 -6.26 1.96 2.86 -1.49 -3.46 114.93 115.97 3dgm h MET 69 Ca -0.45 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 56.63 3dgm h MET 69 Cb 1.21 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 32.79 3dgm h MET 69 CO 0.95 0.00 -0.62 0.71 1.06 0.00 0.00 176.91 179.01 3dgm s TYR 70 N -3.12 2.90 0.29 -0.22 1.51 -1.26 -4.63 117.35 112.83 3dgm s TYR 70 Ca 0.10 -0.13 0.06 0.00 -1.01 0.00 0.00 57.07 56.08 3dgm s TYR 70 Cb 0.12 -1.36 0.44 0.00 -0.11 0.00 0.00 41.96 41.06 3dgm s TYR 70 CO 0.62 0.54 1.70 0.00 -1.11 0.00 0.00 175.55 177.30 3dgm h ALA 71 N 2.23 1.10 -3.09 3.71 0.00 -1.86 -3.43 119.26 117.92 3dgm h ALA 71 Ca -0.47 -0.40 -0.67 0.00 0.00 0.00 0.00 54.91 53.37 3dgm h ALA 71 Cb 1.22 -0.09 -0.30 0.00 0.00 0.00 0.00 17.79 18.62 3dgm h ALA 71 CO 0.60 0.58 -0.73 0.34 0.00 0.00 0.00 179.25 180.04 3dgm s ASP 72 N -6.87 4.29 0.00 0.00 -1.08 -1.26 -5.03 116.67 106.72 3dgm s ASP 72 Ca -0.05 -0.61 0.32 0.00 -0.52 0.00 0.00 52.55 51.69 3dgm s ASP 72 Cb 0.13 -1.71 1.90 0.00 -1.46 0.00 0.00 42.92 41.79 3dgm s ASP 72 CO 0.78 -0.07 2.22 -1.54 0.52 0.00 0.00 175.17 177.08