#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f1g s VAL 2 N 0.00 3.47 0.21 3.17 0.11 -1.26 -0.20 120.40 125.90 3f1g s VAL 2 Ca 0.00 1.05 -0.09 0.00 -2.93 0.00 0.00 61.98 60.01 3f1g s VAL 2 Cb 0.00 -3.51 -0.01 0.00 -1.53 0.00 0.00 36.38 31.33 3f1g s VAL 2 CO 0.00 -0.06 0.35 -0.54 -3.33 0.00 0.00 175.10 171.52 3f1g s LYS 3 N -2.79 1.36 -0.13 1.54 1.02 0.81 -3.47 119.74 118.09 3f1g s LYS 3 Ca 0.63 -1.30 0.00 0.00 0.02 0.00 0.00 55.97 55.33 3f1g s LYS 3 Cb -0.23 0.40 0.02 0.00 -0.52 0.00 0.00 37.83 37.50 3f1g s LYS 3 CO 0.28 -0.53 -0.12 0.42 -0.92 0.00 0.00 175.35 174.48 3f1g s ILE 4 N -4.03 1.37 0.38 2.17 1.01 -1.04 -1.19 121.20 119.87 3f1g s ILE 4 Ca 0.24 -0.52 -0.14 0.00 0.00 0.00 0.00 60.65 60.24 3f1g s ILE 4 Cb 0.02 -1.30 0.05 0.00 0.01 0.00 0.00 42.46 41.24 3f1g s ILE 4 CO 0.07 0.42 0.75 0.00 0.00 0.00 0.00 174.94 176.18 3f1g s ARG 5 N 1.43 2.20 -0.09 2.79 1.70 0.46 -2.28 118.95 125.17 3f1g s ARG 5 Ca 0.02 -1.49 -0.22 0.00 -0.47 0.00 0.00 55.73 53.57 3f1g s ARG 5 Cb -0.13 0.60 -0.04 0.00 -0.57 0.00 0.00 34.95 34.81 3f1g s ARG 5 CO -0.08 -1.02 0.65 -0.51 -1.08 0.00 0.00 175.30 173.27 3f1g s LEU 6 N -3.10 4.29 -0.17 -1.89 1.02 -1.26 -1.15 118.68 116.42 3f1g s LEU 6 Ca 0.18 1.08 -0.03 0.00 0.02 0.00 0.00 54.13 55.37 3f1g s LEU 6 Cb -0.04 -2.99 -0.02 0.00 0.02 0.00 0.00 46.19 43.16 3f1g s LEU 6 CO 0.13 -0.11 -0.05 0.00 0.02 0.00 0.00 176.35 176.33 3f1g s ALA 7 N 0.89 2.88 0.45 4.21 0.00 -0.66 -4.85 121.76 124.70 3f1g s ALA 7 Ca 0.34 -0.94 -0.22 0.00 0.00 0.00 0.00 51.96 51.14 3f1g s ALA 7 Cb -0.17 -1.55 -0.08 0.00 0.00 0.00 0.00 23.12 21.32 3f1g s ALA 7 CO 0.16 0.02 1.07 0.50 0.00 0.00 0.00 175.76 177.51 3f1g s ARG 8 N 0.70 3.89 0.00 0.00 3.52 -1.26 -0.58 118.95 125.22 3f1g s ARG 8 Ca -0.03 1.51 0.00 0.00 -0.13 0.00 0.00 55.73 57.08 3f1g s ARG 8 Cb -0.15 -2.31 0.00 0.00 -1.56 0.00 0.00 34.95 30.93 3f1g s ARG 8 CO 0.02 -0.38 0.00 1.19 -0.81 0.00 0.00 175.30 175.32 3f1g n PHE 9 N -0.57 0.00 -1.47 5.12 3.72 0.14 -4.90 117.46 119.51 3f1g n PHE 9 Ca 0.07 0.00 0.20 0.00 -0.05 0.00 0.00 57.45 57.67 3f1g n PHE 9 Cb 0.50 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.99 3f1g n PHE 9 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3f1g n GLY 10 N 0.00 -2.14 3.89 1.37 0.00 -1.26 -3.60 105.19 103.44 3f1g n GLY 10 Ca 0.00 -1.13 -0.29 0.00 0.00 0.00 0.00 46.02 44.60 3f1g n GLY 10 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3f1g s SER 11 N -7.23 3.77 0.44 1.61 0.01 -1.02 -4.85 113.70 106.43 3f1g s SER 11 Ca 0.00 0.62 -0.26 0.00 1.31 0.00 0.00 55.95 57.63 3f1g s SER 11 Cb 0.00 -0.96 -0.08 0.00 0.21 0.00 0.00 66.02 65.18 3f1g s SER 11 CO 0.00 -2.36 1.41 -0.75 0.41 0.00 0.00 173.24 171.96 3f1g s LYS 12 N -5.64 3.75 0.00 12.44 2.20 -1.26 -2.16 119.74 129.07 3f1g s LYS 12 Ca 0.67 2.39 0.00 0.00 -0.36 0.00 0.00 55.97 58.67 3f1g s LYS 12 Cb -0.09 -2.69 0.00 0.00 -1.51 0.00 0.00 37.83 33.54 3f1g s LYS 12 CO 0.51 -0.75 0.00 0.72 -0.36 0.00 0.00 175.35 175.47 3f1g n HIS 13 N -0.11 0.00 -3.28 4.03 8.25 -1.26 -4.73 115.22 118.12 3f1g n HIS 13 Ca 0.05 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.21 3f1g n HIS 13 Cb 0.42 -1.14 -0.06 0.00 1.12 0.00 0.00 29.99 30.33 3f1g n HIS 13 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3f1g n ASN 14 N 0.00 4.35 -4.76 0.41 5.15 -0.92 -5.09 115.26 114.39 3f1g n ASN 14 Ca 0.00 -3.48 -0.40 0.00 -0.60 0.00 0.00 54.58 50.10 3f1g n ASN 14 Cb 0.00 -0.76 -0.04 0.00 -0.53 0.00 0.00 39.78 38.45 3f1g n ASN 14 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 3f1g s PRO 15 N -2.70 4.56 -0.04 1.20 0.02 -1.23 -2.42 135.00 134.38 3f1g s PRO 15 Ca 0.40 1.90 -0.02 0.00 0.02 0.00 0.00 61.00 63.30 3f1g s PRO 15 Cb 0.15 -3.15 0.03 0.00 0.02 0.00 0.00 34.50 31.56 3f1g s PRO 15 CO -0.01 0.11 0.06 -1.01 -0.33 0.00 0.00 177.00 175.81 3f1g s HIS 16 N -1.17 0.05 0.49 6.54 3.76 -1.24 -4.43 115.29 119.29 3f1g s HIS 16 Ca 0.46 0.24 0.03 0.00 -0.15 0.00 0.00 55.06 55.64 3f1g s HIS 16 Cb -0.34 -0.43 0.02 0.00 1.11 0.00 0.00 32.58 32.95 3f1g s HIS 16 CO 0.44 -0.17 0.70 0.71 -0.85 0.00 0.00 174.74 175.56 3f1g s TYR 17 N 1.96 2.92 -0.19 1.40 1.51 -1.07 0.28 117.35 124.16 3f1g s TYR 17 Ca 0.02 -0.07 -0.05 0.00 -1.01 0.00 0.00 57.07 55.97 3f1g s TYR 17 Cb -0.12 -2.56 0.07 0.00 -0.11 0.00 0.00 41.96 39.24 3f1g s TYR 17 CO -0.03 -0.64 0.12 0.50 -1.11 0.00 0.00 175.55 174.38 3f1g s ARG 18 N -4.61 0.10 0.08 -0.62 3.52 0.25 -2.98 118.95 114.69 3f1g s ARG 18 Ca 0.55 -0.10 -0.31 0.00 -0.13 0.00 0.00 55.73 55.74 3f1g s ARG 18 Cb -0.10 -1.65 -0.08 0.00 -1.56 0.00 0.00 34.95 31.56 3f1g s ARG 18 CO 0.37 -0.72 1.60 0.42 -0.81 0.00 0.00 175.30 176.16 3f1g s ILE 19 N 2.16 3.03 0.16 4.11 1.09 0.13 -1.65 121.20 130.23 3f1g s ILE 19 Ca 0.04 0.56 -0.21 0.00 -1.10 0.00 0.00 60.65 59.93 3f1g s ILE 19 Cb -0.16 -3.36 0.06 0.00 -1.06 0.00 0.00 42.46 37.94 3f1g s ILE 19 CO -0.13 0.01 0.56 0.54 -0.10 0.00 0.00 174.94 175.81 3f1g s VAL 20 N 2.24 0.02 -0.18 2.92 0.11 -0.30 -1.34 120.40 123.87 3f1g s VAL 20 Ca 0.72 -0.16 -0.08 0.00 -2.93 0.00 0.00 61.98 59.52 3f1g s VAL 20 Cb -0.40 -1.07 -0.05 0.00 -1.53 0.00 0.00 36.38 33.34 3f1g s VAL 20 CO 0.31 -0.07 0.11 0.68 -3.33 0.00 0.00 175.10 172.80 3f1g s VAL 21 N -3.77 5.19 0.28 2.04 -7.23 -0.99 -0.40 120.40 115.53 3f1g s VAL 21 Ca 0.02 0.11 -0.13 0.00 -1.81 0.00 0.00 61.98 60.16 3f1g s VAL 21 Cb -0.00 -3.34 0.01 0.00 0.56 0.00 0.00 36.38 33.60 3f1g s VAL 21 CO -0.12 0.48 0.56 0.42 -0.31 0.00 0.00 175.10 176.12 3f1g s THR 22 N 0.12 0.00 -0.06 5.32 -4.23 -0.34 -0.62 115.64 115.83 3f1g s THR 22 Ca 0.08 -1.31 -0.30 0.00 -1.18 0.00 0.00 61.69 58.98 3f1g s THR 22 Cb -0.12 -2.29 -0.02 0.00 1.34 0.00 0.00 72.50 71.41 3f1g s THR 22 CO -0.00 0.00 1.03 -0.62 -0.54 0.00 0.00 174.62 174.49 3f1g s ASP 23 N -3.03 7.25 0.62 3.99 -1.08 -1.26 -0.13 116.67 123.03 3f1g s ASP 23 Ca 0.20 1.62 0.18 0.00 -0.52 0.00 0.00 52.55 54.04 3f1g s ASP 23 Cb -0.02 -2.56 0.99 0.00 -1.46 0.00 0.00 42.92 39.86 3f1g s ASP 23 CO 0.10 -0.41 1.54 0.00 0.52 0.00 0.00 175.17 176.92 3f1g h ALA 24 N 7.04 1.54 -0.00 3.66 0.00 -0.90 0.63 119.26 131.22 3f1g h ALA 24 Ca -0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3f1g h ALA 24 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3f1g h ALA 24 CO 0.83 -0.54 -0.31 0.54 0.00 0.00 0.00 179.25 179.77 3f1g n ARG 25 N -2.66 0.27 -1.35 0.00 1.74 -1.26 -4.87 116.66 108.53 3f1g n ARG 25 Ca -0.01 -0.13 -0.34 0.00 -0.77 0.00 0.00 57.85 56.59 3f1g n ARG 25 Cb 0.58 -1.50 0.10 0.00 -1.02 0.00 0.00 32.46 30.63 3f1g n ARG 25 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3f1g s ARG 26 N -2.82 1.99 1.13 5.56 1.81 0.22 -4.99 118.95 121.84 3f1g s ARG 26 Ca 0.17 1.83 -0.12 0.00 -1.72 0.00 0.00 55.73 55.89 3f1g s ARG 26 Cb 0.18 -1.81 0.27 0.00 -0.45 0.00 0.00 34.95 33.14 3f1g s ARG 26 CO 0.60 -1.97 1.04 0.15 -0.68 0.00 0.00 175.30 174.45 3f1g s LYS 27 N -3.89 -0.66 0.05 3.54 1.02 -1.26 -4.92 119.74 113.62 3f1g s LYS 27 Ca 0.76 0.93 -0.35 0.00 0.02 0.00 0.00 55.97 57.33 3f1g s LYS 27 Cb -0.31 -1.58 -0.19 0.00 -0.52 0.00 0.00 37.83 35.23 3f1g s LYS 27 CO 0.46 -3.58 1.51 -0.09 -0.92 0.00 0.00 175.35 172.74 3f1g h ARG 28 N -2.52 -1.13 -1.38 1.68 2.43 -1.96 -2.99 114.38 108.51 3f1g h ARG 28 Ca -0.59 0.08 -0.51 0.00 -0.81 0.00 0.00 59.98 58.15 3f1g h ARG 28 Cb 1.32 0.26 -0.21 0.00 -0.42 0.00 0.00 29.97 30.92 3f1g h ARG 28 CO 0.49 -0.75 0.64 -0.25 -1.51 0.00 0.00 179.97 178.60 3f1g n ASP 29 N -5.58 7.04 -1.98 -3.80 9.92 -1.26 -4.74 116.55 116.15 3f1g n ASP 29 Ca -0.15 -3.42 0.00 0.00 -0.53 0.00 0.00 54.79 50.69 3f1g n ASP 29 Cb 0.47 -1.04 0.00 0.00 -0.64 0.00 0.00 41.12 39.90 3f1g n ASP 29 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3f1g n GLY 30 N -0.17 0.03 3.66 0.44 0.00 -1.13 -5.01 105.19 103.00 3f1g n GLY 30 Ca 0.46 -1.81 -0.43 0.00 0.00 0.00 0.00 46.02 44.25 3f1g n GLY 30 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3f1g s LYS 31 N -1.37 4.22 0.26 1.61 2.20 -1.26 -5.00 119.74 120.40 3f1g s LYS 31 Ca 0.00 1.73 0.06 0.00 -0.36 0.00 0.00 55.97 57.41 3f1g s LYS 31 Cb 0.00 -3.80 -0.03 0.00 -1.51 0.00 0.00 37.83 32.49 3f1g s LYS 31 CO 0.00 -0.73 0.28 1.52 -0.36 0.00 0.00 175.35 176.06 3f1g s TYR 32 N 3.58 3.20 -0.31 4.03 1.13 -1.26 -4.88 117.35 122.84 3f1g s TYR 32 Ca 0.57 -0.11 0.22 0.00 -1.41 0.00 0.00 57.07 56.34 3f1g s TYR 32 Cb -0.23 -1.53 0.14 0.00 -1.10 0.00 0.00 41.96 39.23 3f1g s TYR 32 CO 0.17 0.43 1.30 0.82 -2.51 0.00 0.00 175.55 175.75 3f1g h ILE 33 N 1.33 0.10 0.00 -3.49 1.08 -1.26 -3.46 117.51 111.80 3f1g h ILE 33 Ca -0.49 -1.16 0.00 0.00 -0.39 0.00 0.00 64.86 62.82 3f1g h ILE 33 Cb 1.24 1.82 0.00 0.00 -3.07 0.00 0.00 36.82 36.80 3f1g h ILE 33 CO 0.60 0.06 0.00 1.21 -0.69 0.00 0.00 178.15 179.33 3f1g n GLU 34 N -2.91 0.00 -2.55 2.37 2.13 -1.24 -5.00 120.64 113.44 3f1g n GLU 34 Ca 0.01 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.40 3f1g n GLU 34 Cb 0.57 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.26 3f1g n GLU 34 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 3f1g s LYS 35 N 0.00 3.97 -0.12 5.31 2.20 -1.26 -2.34 119.74 127.50 3f1g s LYS 35 Ca 0.00 1.09 0.15 0.00 -0.36 0.00 0.00 55.97 56.85 3f1g s LYS 35 Cb 0.00 -3.81 0.55 0.00 -1.51 0.00 0.00 37.83 33.06 3f1g s LYS 35 CO 0.00 -1.04 1.46 0.44 -0.36 0.00 0.00 175.35 175.85 3f1g n ILE 36 N 6.10 1.89 0.00 5.43 -5.35 -0.45 -5.00 119.36 121.99 3f1g n ILE 36 Ca 0.13 -1.45 0.00 0.00 -0.27 0.00 0.00 62.75 61.16 3f1g n ILE 36 Cb 0.47 0.03 0.00 0.00 -1.74 0.00 0.00 39.64 38.40 3f1g n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3f1g n GLY 37 N 0.25 2.05 3.48 3.28 0.00 -1.07 -2.03 105.19 111.15 3f1g n GLY 37 Ca 0.21 -1.45 -0.23 0.00 0.00 0.00 0.00 46.02 44.54 3f1g n GLY 37 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3f1g s TYR 38 N -1.90 1.83 -0.30 1.61 -0.85 -1.10 0.21 117.35 116.85 3f1g s TYR 38 Ca 0.00 -1.15 -0.01 0.00 -0.52 0.00 0.00 57.07 55.38 3f1g s TYR 38 Cb 0.00 -1.18 0.19 0.00 0.38 0.00 0.00 41.96 41.35 3f1g s TYR 38 CO 0.00 -0.19 0.61 -0.47 -1.52 0.00 0.00 175.55 173.99 3f1g s TYR 39 N -3.29 -1.58 -0.39 -3.49 5.04 -1.16 -2.68 117.35 109.81 3f1g s TYR 39 Ca 0.29 1.68 -0.28 0.00 -2.44 0.00 0.00 57.07 56.33 3f1g s TYR 39 Cb 0.05 0.56 0.02 0.00 0.35 0.00 0.00 41.96 42.94 3f1g s TYR 39 CO 0.15 -0.86 1.03 0.34 -1.34 0.00 0.00 175.55 174.87 3f1g s ASP 40 N 2.86 6.74 0.00 4.32 3.68 0.46 -2.61 116.67 132.12 3f1g s ASP 40 Ca 0.20 0.69 0.04 0.00 2.13 0.00 0.00 52.55 55.61 3f1g s ASP 40 Cb -0.15 -2.51 0.24 0.00 -1.45 0.00 0.00 42.92 39.05 3f1g s ASP 40 CO -0.21 -0.98 0.80 -0.81 0.13 0.00 0.00 175.17 174.10 3f1g n PRO 41 N 7.11 0.60 0.00 4.34 -0.04 -1.26 -2.78 135.00 142.97 3f1g n PRO 41 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 3f1g n PRO 41 Cb 0.48 -1.11 0.00 0.00 -0.04 0.00 0.00 33.50 32.83 3f1g n PRO 41 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3f1g n ARG 42 N -0.61 -0.03 -2.10 0.54 1.74 -1.26 -5.02 116.66 109.92 3f1g n ARG 42 Ca 0.03 -0.24 -0.17 0.00 -0.77 0.00 0.00 57.85 56.70 3f1g n ARG 42 Cb 0.01 -0.61 -0.03 0.00 -1.02 0.00 0.00 32.46 30.82 3f1g n ARG 42 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3f1g n LYS 43 N -0.02 -1.74 0.05 5.56 4.01 -1.12 -4.76 118.16 120.14 3f1g n LYS 43 Ca 0.00 0.89 0.03 0.00 -0.51 0.00 0.00 58.31 58.72 3f1g n LYS 43 Cb 0.25 -5.42 0.17 0.00 -0.51 0.00 0.00 35.03 29.52 3f1g n LYS 43 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 3f1g n THR 44 N -3.19 1.48 -4.27 -0.18 -2.24 -1.26 -4.57 114.28 100.06 3f1g n THR 44 Ca -0.19 0.58 -0.16 0.00 -2.27 0.00 0.00 64.05 62.00 3f1g n THR 44 Cb 0.62 -1.58 -0.09 0.00 -2.10 0.00 0.00 70.33 67.18 3f1g n THR 44 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3f1g s THR 45 N -3.07 0.09 -1.29 4.28 -4.23 -1.26 -5.02 115.64 105.14 3f1g s THR 45 Ca -0.01 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.50 3f1g s THR 45 Cb 0.02 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.35 3f1g s THR 45 CO 0.06 0.00 0.64 -2.65 -0.54 0.00 0.00 174.62 172.13 3f1g n PRO 46 N -0.47 0.99 -0.64 3.99 -0.02 -1.26 -3.68 135.00 133.90 3f1g n PRO 46 Ca 0.04 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.57 3f1g n PRO 46 Cb 0.64 -1.35 0.13 0.00 -0.02 0.00 0.00 33.50 32.91 3f1g n PRO 46 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3f1g n ASP 47 N -0.14 1.55 0.00 2.55 8.00 -1.26 -4.86 116.55 122.38 3f1g n ASP 47 Ca 0.00 -3.15 0.00 0.00 0.71 0.00 0.00 54.79 52.35 3f1g n ASP 47 Cb 0.18 -0.43 0.00 0.00 -0.02 0.00 0.00 41.12 40.85 3f1g n ASP 47 CO 0.00 0.00 0.00 -2.67 -0.39 0.00 0.00 177.20 174.14 3f1g n TRP 48 N -0.76 0.00 -3.53 1.24 4.27 -1.24 -4.60 117.44 112.82 3f1g n TRP 48 Ca 0.14 0.00 -0.10 0.00 -3.89 0.00 0.00 57.50 53.64 3f1g n TRP 48 Cb 0.77 0.00 -0.04 0.00 -1.36 0.00 0.00 31.31 30.69 3f1g n TRP 48 CO 0.00 0.00 0.00 -1.17 -2.29 0.00 0.00 177.69 174.23 3f1g s LEU 49 N -1.77 -0.41 -0.30 5.67 2.96 -1.26 -0.41 118.68 123.17 3f1g s LEU 49 Ca 0.00 0.22 -0.24 0.00 -0.22 0.00 0.00 54.13 53.90 3f1g s LEU 49 Cb 0.00 2.04 0.18 0.00 0.50 0.00 0.00 46.19 48.91 3f1g s LEU 49 CO 0.00 -0.53 1.34 -0.75 -1.32 0.00 0.00 176.35 175.08 3f1g s LYS 50 N -2.20 0.14 -0.03 1.98 2.36 -1.09 -4.96 119.74 115.94 3f1g s LYS 50 Ca 0.01 0.18 -0.00 0.00 -2.55 0.00 0.00 55.97 53.61 3f1g s LYS 50 Cb -0.01 0.06 0.03 0.00 -1.05 0.00 0.00 37.83 36.87 3f1g s LYS 50 CO -0.03 -0.02 0.03 0.08 1.55 0.00 0.00 175.35 176.95 3f1g s VAL 51 N 0.24 0.02 -1.01 4.02 1.01 -1.26 -2.72 120.40 120.70 3f1g s VAL 51 Ca 0.04 0.21 -0.24 0.00 0.00 0.00 0.00 61.98 62.00 3f1g s VAL 51 Cb -0.05 -0.17 -0.15 0.00 0.00 0.00 0.00 36.38 36.02 3f1g s VAL 51 CO -0.13 0.13 1.94 -0.67 0.00 0.00 0.00 175.10 176.37 3f1g n ASP 52 N 4.41 2.50 0.22 3.32 -0.08 -0.86 -4.72 116.55 121.35 3f1g n ASP 52 Ca -0.22 -2.64 0.18 0.00 -1.51 0.00 0.00 54.79 50.59 3f1g n ASP 52 Cb 0.50 -1.54 0.86 0.00 2.34 0.00 0.00 41.12 43.28 3f1g n ASP 52 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 3f1g h VAL 53 N 5.87 0.40 0.00 5.18 -1.51 -1.94 -1.10 116.25 123.15 3f1g h VAL 53 Ca 0.22 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.69 3f1g h VAL 53 Cb 0.88 0.83 0.00 0.00 -2.13 0.00 0.00 31.29 30.88 3f1g h VAL 53 CO 1.37 0.00 0.00 -0.62 -1.23 0.00 0.00 177.57 177.09 3f1g n GLU 54 N -3.67 0.00 -0.20 5.19 -0.58 -1.26 -1.49 120.64 118.62 3f1g n GLU 54 Ca 0.01 0.27 0.08 0.00 -0.42 0.00 0.00 57.16 57.10 3f1g n GLU 54 Cb 0.32 -1.20 0.37 0.00 -0.57 0.00 0.00 31.44 30.36 3f1g n GLU 54 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3f1g h ARG 55 N 0.00 0.69 -0.29 3.49 3.08 -1.88 -0.70 114.38 118.77 3f1g h ARG 55 Ca 0.00 -0.04 0.07 0.00 0.07 0.00 0.00 59.98 60.07 3f1g h ARG 55 Cb 0.00 -0.16 -0.07 0.00 0.08 0.00 0.00 29.97 29.83 3f1g h ARG 55 CO 0.00 0.46 -0.16 0.00 -1.07 0.00 0.00 179.97 179.19 3f1g h ALA 56 N 1.61 0.05 -0.65 0.04 0.00 -1.23 0.48 119.26 119.57 3f1g h ALA 56 Ca 0.35 0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.47 3f1g h ALA 56 Cb 0.42 0.38 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 3f1g h ALA 56 CO -0.13 -0.56 0.43 0.00 0.00 0.00 0.00 179.25 178.99 3f1g h ARG 57 N -0.13 0.44 0.22 0.00 2.47 -0.02 -2.76 114.38 114.59 3f1g h ARG 57 Ca 0.15 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.84 3f1g h ARG 57 Cb 0.36 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.59 3f1g h ARG 57 CO -0.37 0.29 -0.10 -0.92 0.56 0.00 0.00 179.97 179.43 3f1g h TYR 58 N 0.45 -0.27 0.00 3.04 3.20 0.32 -2.47 116.97 121.25 3f1g h TYR 58 Ca 0.30 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.17 3f1g h TYR 58 Cb 0.57 0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.93 3f1g h TYR 58 CO -0.00 0.06 0.00 0.91 -1.64 0.00 0.00 178.16 177.49 3f1g n TRP 59 N -5.07 0.00 -0.02 -3.82 7.02 0.26 0.15 117.44 115.95 3f1g n TRP 59 Ca -0.09 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.26 3f1g n TRP 59 Cb 0.24 -0.26 -0.14 0.00 -2.42 0.00 0.00 31.31 28.72 3f1g n TRP 59 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 3f1g n LEU 60 N -1.26 1.37 0.09 -0.99 4.77 -1.10 -2.78 117.00 117.08 3f1g n LEU 60 Ca 0.02 0.31 -0.13 0.00 -0.03 0.00 0.00 56.01 56.19 3f1g n LEU 60 Cb 0.04 -0.20 -0.07 0.00 -2.33 0.00 0.00 43.42 40.86 3f1g n LEU 60 CO 0.04 0.54 0.82 -1.28 -1.33 0.00 0.00 177.39 176.18 3f1g h SER 61 N 0.02 -0.12 0.25 -1.43 0.87 0.19 0.12 113.55 113.45 3f1g h SER 61 Ca -0.35 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.18 3f1g h SER 61 Cb 2.03 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 64.03 3f1g h SER 61 CO 0.07 -0.05 0.00 1.33 -0.53 0.00 0.00 176.83 177.65 3f1g n VAL 62 N -5.13 0.41 -0.68 2.23 0.24 -0.86 -4.96 118.33 109.57 3f1g n VAL 62 Ca -0.08 0.10 0.00 0.00 -2.04 0.00 0.00 64.34 62.32 3f1g n VAL 62 Cb 0.10 -0.83 0.00 0.00 -1.47 0.00 0.00 33.84 31.64 3f1g n VAL 62 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3f1g n GLY 63 N 0.11 -3.88 3.15 7.63 0.00 0.42 -5.10 105.19 107.52 3f1g n GLY 63 Ca 0.09 -0.72 0.05 0.00 0.00 0.00 0.00 46.02 45.44 3f1g n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f1g s ALA 64 N -0.15 -3.66 0.21 4.61 0.00 -1.12 -4.87 121.76 116.79 3f1g s ALA 64 Ca 0.00 1.29 -0.32 0.00 0.00 0.00 0.00 51.96 52.93 3f1g s ALA 64 Cb 0.00 -2.76 -0.14 0.00 0.00 0.00 0.00 23.12 20.22 3f1g s ALA 64 CO 0.00 -2.02 1.45 1.04 0.00 0.00 0.00 175.76 176.23 3f1g n GLN 65 N 5.19 2.03 -3.84 0.00 1.13 -1.23 -4.41 117.38 116.25 3f1g n GLN 65 Ca 0.08 0.73 -0.32 0.00 -1.94 0.00 0.00 57.00 55.54 3f1g n GLN 65 Cb 0.57 -2.42 -0.05 0.00 0.11 0.00 0.00 30.24 28.46 3f1g n GLN 65 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 3f1g s PRO 66 N 0.03 3.50 1.03 -1.09 0.05 -1.26 -2.48 135.00 134.77 3f1g s PRO 66 Ca 0.72 -0.28 -0.14 0.00 0.05 0.00 0.00 61.00 61.35 3f1g s PRO 66 Cb -0.67 -3.02 0.12 0.00 0.05 0.00 0.00 34.50 30.97 3f1g s PRO 66 CO 0.46 0.60 0.54 2.41 0.05 0.00 0.00 177.00 181.06 3f1g n THR 67 N 0.53 0.00 0.00 1.26 -1.04 -0.96 -4.67 114.28 109.40 3f1g n THR 67 Ca -0.07 -0.23 -0.10 0.00 -2.04 0.00 0.00 64.05 61.62 3f1g n THR 67 Cb 0.52 -0.75 -0.04 0.00 -1.82 0.00 0.00 70.33 68.24 3f1g n THR 67 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 3f1g h ASP 68 N -1.95 -0.31 1.16 8.00 3.32 -1.99 -0.78 116.42 123.88 3f1g h ASP 68 Ca -0.49 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 56.62 3f1g h ASP 68 Cb 1.31 0.16 -0.00 0.00 0.22 0.00 0.00 39.33 41.02 3f1g h ASP 68 CO 0.39 -0.14 -0.02 0.00 -1.72 0.00 0.00 179.24 177.75 3f1g h THR 69 N -0.12 0.05 -0.26 0.35 1.03 -1.98 -2.24 112.91 109.73 3f1g h THR 69 Ca 0.08 -0.64 -0.07 0.00 -0.01 0.00 0.00 66.41 65.77 3f1g h THR 69 Cb 0.23 1.61 -0.01 0.00 -1.07 0.00 0.00 68.15 68.91 3f1g h THR 69 CO -0.18 0.02 -0.10 0.00 -0.01 0.00 0.00 175.52 175.25 3f1g h ALA 70 N 1.98 0.36 -0.00 0.00 0.00 -1.71 -2.95 119.26 116.94 3f1g h ALA 70 Ca -0.00 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.62 3f1g h ALA 70 Cb 0.61 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3f1g h ALA 70 CO 0.00 0.21 -0.22 0.00 0.00 0.00 0.00 179.25 179.24 3f1g h ARG 71 N 0.27 -0.26 -0.90 0.00 2.47 -0.56 0.10 114.38 115.50 3f1g h ARG 71 Ca 0.06 0.02 0.20 0.00 -1.26 0.00 0.00 59.98 59.00 3f1g h ARG 71 Cb 0.59 0.06 -0.17 0.00 -1.65 0.00 0.00 29.97 28.80 3f1g h ARG 71 CO 0.03 -0.18 -0.12 -0.09 0.56 0.00 0.00 179.97 180.18 3f1g h ARG 72 N -0.27 0.02 -0.40 0.04 2.43 -1.58 0.31 114.38 114.93 3f1g h ARG 72 Ca 0.01 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 3f1g h ARG 72 Cb 0.29 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 3f1g h ARG 72 CO -0.15 0.01 0.04 -0.07 -1.51 0.00 0.00 179.97 178.29 3f1g h LEU 73 N 0.02 0.65 -1.15 3.80 3.38 -1.26 0.11 115.31 120.86 3f1g h LEU 73 Ca 0.47 -0.28 0.05 0.00 0.09 0.00 0.00 57.88 58.21 3f1g h LEU 73 Cb 0.82 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.35 3f1g h LEU 73 CO -0.88 0.77 0.58 -0.07 0.09 0.00 0.00 178.44 178.93 3f1g h LEU 74 N 0.51 0.93 -0.28 1.67 3.38 0.16 -2.57 115.31 119.11 3f1g h LEU 74 Ca 0.12 -0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.88 3f1g h LEU 74 Cb 0.41 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3f1g h LEU 74 CO 0.01 0.62 -0.80 -0.09 0.09 0.00 0.00 178.44 178.27 3f1g h ARG 75 N 1.07 0.50 -0.67 1.13 2.43 0.08 0.04 114.38 118.96 3f1g h ARG 75 Ca 0.36 -0.44 -0.03 0.00 -0.81 0.00 0.00 59.98 59.06 3f1g h ARG 75 Cb 0.09 0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.71 3f1g h ARG 75 CO -0.12 1.08 0.32 1.96 -1.51 0.00 0.00 179.97 181.69 3f1g h GLN 76 N 0.33 0.95 -0.00 0.20 4.20 -0.76 0.78 115.11 120.81 3f1g h GLN 76 Ca -0.05 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.53 3f1g h GLN 76 Cb 1.41 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 29.01 3f1g h GLN 76 CO 0.14 0.74 -0.02 0.00 -0.67 0.00 0.00 178.83 179.02 3f1g n ALA 77 N -2.44 2.64 -2.18 3.87 0.00 -0.99 -5.00 120.51 116.41 3f1g n ALA 77 Ca 0.06 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3f1g n ALA 77 Cb 0.14 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.15 3f1g n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f1g n GLY 78 N 1.15 -5.23 0.88 0.00 0.00 0.27 -5.00 105.19 97.27 3f1g n GLY 78 Ca 0.19 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3f1g n GLY 78 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3f1g n VAL 79 N 1.93 0.00 0.45 1.61 0.31 -1.17 -4.80 118.33 116.66 3f1g n VAL 79 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.46 3f1g n VAL 79 Cb 0.00 -0.27 0.46 0.00 -0.91 0.00 0.00 33.84 33.12 3f1g n VAL 79 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 3f1g h PHE 80 N 0.00 0.00 -4.05 3.52 -1.00 -1.92 -3.45 116.94 110.03 3f1g h PHE 80 Ca 0.00 0.00 -0.53 0.00 2.81 0.00 0.00 57.97 60.25 3f1g h PHE 80 Cb 0.06 0.00 0.11 0.00 3.61 0.00 0.00 35.95 39.73 3f1g h PHE 80 CO 0.00 0.00 0.52 0.50 -1.61 0.00 0.00 178.31 177.72 3f1g s ARG 81 N -3.27 3.24 0.00 1.51 3.52 -1.26 -4.89 118.95 117.79 3f1g s ARG 81 Ca 0.06 1.96 0.00 0.00 -0.13 0.00 0.00 55.73 57.62 3f1g s ARG 81 Cb 0.10 -2.17 0.00 0.00 -1.56 0.00 0.00 34.95 31.32 3f1g s ARG 81 CO 0.50 -1.03 0.00 0.00 -0.81 0.00 0.00 175.30 173.96 3f1g n GLN 82 N -1.10 0.30 -0.51 5.12 0.00 -1.26 -5.14 117.38 114.78 3f1g n GLN 82 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.11 3f1g n GLN 82 Cb 0.48 -0.09 0.00 0.00 0.00 0.00 0.00 30.24 30.63 3f1g n GLN 82 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45