#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xfe s ASN 2 N 0.00 7.37 -0.55 1.61 0.01 -1.26 -5.02 114.94 117.11 1xfe s ASN 2 Ca 0.00 1.68 -0.22 0.00 -0.71 0.00 0.00 52.86 53.61 1xfe s ASN 2 Cb 0.00 -2.51 0.05 0.00 0.41 0.00 0.00 41.25 39.20 1xfe s ASN 2 CO 0.00 0.14 0.84 0.68 -1.51 0.00 0.00 177.10 177.24 1xfe s VAL 3 N -1.28 4.55 -0.11 1.60 -7.23 -1.26 -5.01 120.40 111.66 1xfe s VAL 3 Ca 0.40 -0.04 0.01 0.00 -1.81 0.00 0.00 61.98 60.54 1xfe s VAL 3 Cb -0.22 -4.47 0.02 0.00 0.56 0.00 0.00 36.38 32.27 1xfe s VAL 3 CO 0.26 -1.04 -0.12 0.42 -0.31 0.00 0.00 175.10 174.31 1xfe s THR 4 N 3.51 1.28 -0.11 5.32 -4.23 -1.26 -4.99 115.64 115.16 1xfe s THR 4 Ca 0.24 -0.49 0.09 0.00 -1.18 0.00 0.00 61.69 60.36 1xfe s THR 4 Cb -0.15 -1.22 -0.13 0.00 1.34 0.00 0.00 72.50 72.34 1xfe s THR 4 CO 0.16 0.40 0.02 0.18 -0.54 0.00 0.00 174.62 174.84 1xfe n LEU 5 N 4.53 0.37 -3.90 4.79 4.32 -1.26 -4.88 117.00 120.96 1xfe n LEU 5 Ca -0.17 -0.01 -0.30 0.00 -0.02 0.00 0.00 56.01 55.51 1xfe n LEU 5 Cb 0.51 0.18 -0.15 0.00 -1.62 0.00 0.00 43.42 42.34 1xfe n LEU 5 CO 0.21 0.33 -0.30 0.00 -1.22 0.00 0.00 177.39 176.41 1xfe s GLU 7 N 0.87 0.46 0.19 0.00 2.12 -1.26 -4.75 118.70 116.34 1xfe s GLU 7 Ca 0.12 0.07 -0.22 0.00 0.36 0.00 0.00 54.97 55.30 1xfe s GLU 7 Cb -0.20 -0.69 0.08 0.00 0.26 0.00 0.00 34.13 33.58 1xfe s GLU 7 CO -0.11 -0.18 1.03 0.20 -0.54 0.00 0.00 175.26 175.66 1xfe s GLY 8 N 1.34 0.11 0.39 -1.50 0.00 -1.26 -4.95 107.32 101.45 1xfe s GLY 8 Ca -0.05 -0.34 0.17 0.00 0.00 0.00 0.00 44.72 44.50 1xfe s GLY 8 CO -0.02 2.30 1.82 -0.56 0.00 0.00 0.00 173.10 176.64 1xfe h PRO 9 N 2.00 0.00 0.00 2.90 0.13 -2.04 -3.15 132.00 131.84 1xfe h PRO 9 Ca -0.28 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1xfe h PRO 9 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1xfe h PRO 9 CO 0.36 0.35 -0.15 0.27 -0.23 0.00 0.00 178.00 178.60 1xfe n ASN 10 N -3.80 1.78 -4.90 1.44 0.23 -1.26 -4.98 115.26 103.77 1xfe n ASN 10 Ca -0.01 -2.88 -0.29 0.00 -0.53 0.00 0.00 54.58 50.87 1xfe n ASN 10 Cb 0.43 -0.38 -0.02 0.00 -2.08 0.00 0.00 39.78 37.72 1xfe n ASN 10 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1xfe s LYS 11 N -2.23 3.65 -0.23 -3.83 1.02 -1.19 -2.61 119.74 114.32 1xfe s LYS 11 Ca 0.25 0.23 -0.25 0.00 0.02 0.00 0.00 55.97 56.23 1xfe s LYS 11 Cb 0.23 -2.45 0.07 0.00 -0.52 0.00 0.00 37.83 35.15 1xfe s LYS 11 CO 0.02 -0.03 0.69 0.12 -0.92 0.00 0.00 175.35 175.23 1xfe s PHE 12 N -2.44 -0.74 -0.26 3.18 2.19 0.25 -4.17 117.98 116.00 1xfe s PHE 12 Ca 0.48 1.75 -0.09 0.00 0.33 0.00 0.00 56.93 59.40 1xfe s PHE 12 Cb -0.10 0.28 -0.04 0.00 -1.31 0.00 0.00 43.02 41.85 1xfe s PHE 12 CO 0.36 -0.40 0.12 -1.59 1.83 0.00 0.00 175.22 175.53 1xfe s LYS 13 N 0.13 3.79 0.19 10.12 0.00 -1.26 0.58 119.74 133.29 1xfe s LYS 13 Ca -0.02 -0.41 0.07 0.00 0.00 0.00 0.00 55.97 55.61 1xfe s LYS 13 Cb -0.04 -3.45 -0.05 0.00 0.00 0.00 0.00 37.83 34.30 1xfe s LYS 13 CO 0.02 -0.15 -0.13 0.00 0.00 0.00 0.00 175.35 175.09 1xfe n HIS 15 N -0.34 0.00 0.02 0.00 -0.00 -1.26 0.10 115.22 113.74 1xfe n HIS 15 Ca -0.08 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.61 1xfe n HIS 15 Cb 0.60 0.02 0.15 0.00 -0.00 0.00 0.00 29.99 30.76 1xfe n HIS 15 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1xfe n SER 16 N 0.91 3.32 0.00 0.26 2.88 -1.26 -4.59 113.62 115.13 1xfe n SER 16 Ca 0.00 -2.59 0.00 0.00 -1.33 0.00 0.00 58.87 54.95 1xfe n SER 16 Cb 0.00 -0.62 0.00 0.00 -0.75 0.00 0.00 64.21 62.84 1xfe n SER 16 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xfe n GLY 17 N 0.05 0.69 4.01 0.46 0.00 -1.21 -5.16 105.19 104.02 1xfe n GLY 17 Ca 0.20 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 1xfe n GLY 17 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xfe s GLU 18 N 0.00 2.01 -0.08 1.61 2.56 0.29 -4.91 118.70 120.19 1xfe s GLU 18 Ca 0.00 -1.31 0.01 0.00 0.00 0.00 0.00 54.97 53.66 1xfe s GLU 18 Cb 0.00 -2.48 0.02 0.00 2.00 0.00 0.00 34.13 33.67 1xfe s GLU 18 CO 0.00 -1.13 -0.07 0.00 -0.56 0.00 0.00 175.26 173.50 1xfe s ILE 20 N 1.23 0.00 0.47 0.00 -4.36 0.19 -4.92 121.20 113.81 1xfe s ILE 20 Ca -0.05 -1.45 -0.19 0.00 -0.26 0.00 0.00 60.65 58.70 1xfe s ILE 20 Cb -0.14 -2.58 -0.09 0.00 1.25 0.00 0.00 42.46 40.90 1xfe s ILE 20 CO -0.02 0.00 0.97 0.42 0.24 0.00 0.00 174.94 176.55 1xfe s THR 21 N -3.16 4.38 0.19 8.37 -4.23 -1.26 0.88 115.64 120.81 1xfe s THR 21 Ca 0.26 1.35 0.08 0.00 -1.18 0.00 0.00 61.69 62.20 1xfe s THR 21 Cb -0.01 -3.62 -0.12 0.00 1.34 0.00 0.00 72.50 70.08 1xfe s THR 21 CO 0.16 -0.45 1.43 0.17 -0.54 0.00 0.00 174.62 175.39 1xfe h LEU 22 N 1.49 0.03 -0.07 4.79 8.10 -1.66 -3.37 115.31 124.62 1xfe h LEU 22 Ca -0.48 -0.02 0.02 0.00 0.11 0.00 0.00 57.88 57.50 1xfe h LEU 22 Cb 1.19 -0.01 -0.04 0.00 -0.44 0.00 0.00 40.66 41.36 1xfe h LEU 22 CO 0.61 0.84 -0.32 0.44 -4.11 0.00 0.00 178.44 175.90 1xfe h ASP 23 N 0.01 -1.00 0.00 0.17 5.19 -1.93 0.52 116.42 119.38 1xfe h ASP 23 Ca -0.01 0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.52 1xfe h ASP 23 Cb 1.45 0.39 0.00 0.00 0.18 0.00 0.00 39.33 41.35 1xfe h ASP 23 CO 0.11 -0.29 0.00 2.29 -3.12 0.00 0.00 179.24 178.23 1xfe n LYS 24 N -4.22 0.31 -1.72 3.56 -0.00 -1.26 -4.81 118.16 110.01 1xfe n LYS 24 Ca -0.04 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.85 1xfe n LYS 24 Cb 0.22 -1.14 -0.03 0.00 -0.00 0.00 0.00 35.03 34.09 1xfe n LYS 24 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1xfe n VAL 25 N 0.26 0.16 -3.52 0.58 0.31 0.17 -2.64 118.33 113.66 1xfe n VAL 25 Ca 0.00 -0.04 -0.20 0.00 -0.01 0.00 0.00 64.34 64.09 1xfe n VAL 25 Cb 0.07 -1.97 0.06 0.00 -0.91 0.00 0.00 33.84 31.09 1xfe n VAL 25 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xfe s ASN 27 N -4.04 5.93 0.17 0.00 4.22 -1.08 -4.98 114.94 115.16 1xfe s ASN 27 Ca 0.16 0.17 0.04 0.00 -2.14 0.00 0.00 52.86 51.09 1xfe s ASN 27 Cb -0.03 -2.02 0.49 0.00 1.28 0.00 0.00 41.25 40.96 1xfe s ASN 27 CO 0.78 0.19 0.81 0.80 -2.04 0.00 0.00 177.10 177.63 1xfe n MET 28 N 3.46 -0.04 -2.36 3.55 0.00 -1.26 -4.28 117.12 116.20 1xfe n MET 28 Ca -0.16 0.75 -0.39 0.00 -0.00 0.00 0.00 57.70 57.89 1xfe n MET 28 Cb 0.52 -1.24 -0.03 0.00 0.00 0.00 0.00 33.22 32.47 1xfe n MET 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1xfe s ALA 29 N -5.17 3.31 0.31 -5.12 0.00 -1.26 -4.97 121.76 108.86 1xfe s ALA 29 Ca -0.06 0.96 -0.30 0.00 0.00 0.00 0.00 51.96 52.57 1xfe s ALA 29 Cb 0.16 -3.36 -0.12 0.00 0.00 0.00 0.00 23.12 19.80 1xfe s ALA 29 CO 0.40 -0.36 1.57 -2.13 0.00 0.00 0.00 175.76 175.24 1xfe n ARG 30 N 0.64 2.67 -0.01 0.00 0.00 -1.26 -4.91 116.66 113.79 1xfe n ARG 30 Ca 0.01 0.95 -0.01 0.00 -0.00 0.00 0.00 57.85 58.80 1xfe n ARG 30 Cb 0.45 -2.72 -0.02 0.00 0.00 0.00 0.00 32.46 30.17 1xfe n ARG 30 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1xfe n ASP 31 N 1.86 4.33 -3.70 6.15 9.92 -1.26 -5.09 116.55 128.76 1xfe n ASP 31 Ca 0.07 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 54.20 1xfe n ASP 31 Cb 0.37 0.64 -0.06 0.00 -0.64 0.00 0.00 41.12 41.43 1xfe n ASP 31 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1xfe h ARG 33 N 2.28 0.14 0.00 0.00 9.65 -1.98 -3.33 114.38 121.14 1xfe h ARG 33 Ca -0.29 -0.24 0.00 0.00 -1.10 0.00 0.00 59.98 58.35 1xfe h ARG 33 Cb 1.24 0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.91 1xfe h ARG 33 CO 0.41 0.95 -0.75 -0.44 2.80 0.00 0.00 179.97 182.94 1xfe h ASP 34 N 0.04 0.00 -2.49 -3.80 3.32 -1.97 -3.48 116.42 108.03 1xfe h ASP 34 Ca -0.21 -0.04 -0.26 0.00 0.02 0.00 0.00 57.03 56.54 1xfe h ASP 34 Cb 1.96 0.00 0.01 0.00 0.22 0.00 0.00 39.33 41.53 1xfe h ASP 34 CO 0.13 0.02 -0.37 0.79 -1.72 0.00 0.00 179.24 178.10 1xfe n TRP 35 N -2.63 -0.96 0.24 4.55 7.02 -1.25 -4.89 117.44 119.51 1xfe n TRP 35 Ca 0.01 0.18 0.09 0.00 -1.02 0.00 0.00 57.50 56.76 1xfe n TRP 35 Cb 0.52 -3.09 0.62 0.00 -2.42 0.00 0.00 31.31 26.94 1xfe n TRP 35 CO 0.00 0.00 0.00 0.77 -2.02 0.00 0.00 177.69 176.44 1xfe h SER 36 N -0.47 0.00 0.87 -0.99 0.02 -1.91 -2.36 113.55 108.71 1xfe h SER 36 Ca -0.33 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.54 1xfe h SER 36 Cb 1.23 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.76 1xfe h SER 36 CO 0.37 0.17 -1.19 -0.78 -1.14 0.00 0.00 176.83 174.26 1xfe h ASP 37 N 0.00 0.00 -2.64 3.07 1.82 -1.90 -3.40 116.42 113.37 1xfe h ASP 37 Ca -0.00 0.00 -0.73 0.00 -0.39 0.00 0.00 57.03 55.91 1xfe h ASP 37 Cb 0.38 0.00 -0.33 0.00 0.68 0.00 0.00 39.33 40.06 1xfe h ASP 37 CO 0.02 0.30 0.28 -0.62 -1.61 0.00 0.00 179.24 177.61 1xfe n GLU 38 N -2.80 3.79 -2.27 0.28 4.71 -0.89 -2.86 120.64 120.61 1xfe n GLU 38 Ca -0.05 -4.61 -0.39 0.00 -0.01 0.00 0.00 57.16 52.11 1xfe n GLU 38 Cb 0.70 -2.42 -0.03 0.00 -1.01 0.00 0.00 31.44 28.68 1xfe n GLU 38 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 1xfe s PRO 39 N -2.71 2.89 0.27 3.49 0.04 -1.25 -4.87 135.00 132.87 1xfe s PRO 39 Ca 0.34 0.10 0.01 0.00 0.04 0.00 0.00 61.00 61.49 1xfe s PRO 39 Cb 0.09 -4.43 0.59 0.00 0.04 0.00 0.00 34.50 30.78 1xfe s PRO 39 CO 0.06 -2.54 1.77 0.82 0.04 0.00 0.00 177.00 177.15 1xfe h ILE 40 N 6.59 0.73 0.00 0.56 2.04 -1.94 1.20 117.51 126.69 1xfe h ILE 40 Ca -0.21 -0.23 -0.14 0.00 1.00 0.00 0.00 64.86 65.28 1xfe h ILE 40 Cb 1.10 -0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 1xfe h ILE 40 CO 1.25 0.12 -0.68 0.07 0.00 0.00 0.00 178.15 178.91 1xfe h LYS 41 N 0.67 0.00 -0.03 2.37 2.10 -1.97 -3.24 116.57 116.47 1xfe h LYS 41 Ca 0.49 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.14 1xfe h LYS 41 Cb 0.71 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.04 1xfe h LYS 41 CO -0.37 0.68 -0.07 -1.91 -2.00 0.00 0.00 179.45 175.79 1xfe n GLU 42 N -3.32 2.05 -0.09 0.07 0.00 -0.34 -4.20 120.64 114.80 1xfe n GLU 42 Ca 0.01 -1.62 -0.14 0.00 0.00 0.00 0.00 57.16 55.40 1xfe n GLU 42 Cb 0.79 -1.47 -0.08 0.00 0.00 0.00 0.00 31.44 30.68 1xfe n GLU 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1xfe n GLY 44 N 1.52 4.59 3.88 0.00 0.00 -1.24 -4.14 105.19 109.81 1xfe n GLY 44 Ca -0.21 -1.42 -0.32 0.00 0.00 0.00 0.00 46.02 44.07 1xfe n GLY 44 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xfe s THR 45 N -3.05 5.05 -0.15 2.61 2.01 -1.26 -5.01 115.64 115.85 1xfe s THR 45 Ca 0.42 0.30 0.18 0.00 0.31 0.00 0.00 61.69 62.89 1xfe s THR 45 Cb 0.33 -3.63 0.44 0.00 0.01 0.00 0.00 72.50 69.66 1xfe s THR 45 CO 0.00 0.05 1.18 -3.20 -0.69 0.00 0.00 174.62 171.96 1xfe n ASN 46 N 0.17 1.90 -0.59 3.53 4.05 -1.26 -4.80 115.26 118.27 1xfe n ASN 46 Ca -0.02 -2.92 0.48 0.00 0.45 0.00 0.00 54.58 52.56 1xfe n ASN 46 Cb 0.52 -0.41 0.80 0.00 1.23 0.00 0.00 39.78 41.92 1xfe n ASN 46 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 177.26 173.88 1xfe h GLU 47 N 1.41 0.01 0.00 1.20 5.08 -1.96 -0.74 114.58 119.58 1xfe h GLU 47 Ca -0.05 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1xfe h GLU 47 Cb 1.44 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.69 1xfe h GLU 47 CO 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.19 1xfe n LEU 49 N -0.88 0.21 0.00 0.00 4.77 -1.02 0.19 117.00 120.27 1xfe n LEU 49 Ca 0.00 0.54 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 1xfe n LEU 49 Cb 0.00 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.54 1xfe n LEU 49 CO 0.00 -0.61 0.50 -0.67 -1.33 0.00 0.00 177.39 175.28 1xfe n ASP 50 N -1.75 0.00 0.00 -1.43 2.03 -0.31 -4.68 116.55 110.41 1xfe n ASP 50 Ca -0.01 0.48 0.00 0.00 0.52 0.00 0.00 54.79 55.78 1xfe n ASP 50 Cb 0.10 -0.48 0.00 0.00 -0.72 0.00 0.00 41.12 40.02 1xfe n ASP 50 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1xfe n ASN 51 N -1.48 0.00 0.09 1.67 6.94 -0.95 -5.00 115.26 116.53 1xfe n ASN 51 Ca 0.00 0.00 -0.19 0.00 -0.02 0.00 0.00 54.58 54.37 1xfe n ASN 51 Cb 0.02 0.00 -0.14 0.00 -2.36 0.00 0.00 39.78 37.30 1xfe n ASN 51 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1xfe h ASN 52 N 0.00 0.49 0.00 0.53 -1.07 -1.83 -3.43 115.58 110.27 1xfe h ASN 52 Ca 0.00 -0.63 -0.02 0.00 0.07 0.00 0.00 56.30 55.73 1xfe h ASN 52 Cb 0.00 -0.16 -0.02 0.00 -2.07 0.00 0.00 38.32 36.07 1xfe h ASN 52 CO 0.00 1.51 -0.04 0.61 0.07 0.00 0.00 177.43 179.58 1xfe n GLY 53 N 1.67 -0.04 3.97 9.14 0.00 -1.25 -4.77 105.19 113.90 1xfe n GLY 53 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1xfe n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xfe n GLY 54 N 0.00 1.02 0.38 -0.02 0.00 0.51 -1.03 105.19 106.06 1xfe n GLY 54 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1xfe n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xfe n SER 56 N -1.69 -1.12 0.00 0.00 7.64 -1.11 -4.17 113.62 113.16 1xfe n SER 56 Ca 0.00 0.41 0.00 0.00 1.01 0.00 0.00 58.87 60.29 1xfe n SER 56 Cb 0.00 1.29 0.00 0.00 -1.01 0.00 0.00 64.21 64.49 1xfe n SER 56 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1xfe n HIS 57 N -2.68 0.00 -3.75 1.43 8.25 -1.26 -3.85 115.22 113.36 1xfe n HIS 57 Ca 0.00 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.21 1xfe n HIS 57 Cb 0.00 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 30.94 1xfe n HIS 57 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1xfe s VAL 58 N -0.99 0.43 -0.13 1.59 -7.23 -1.25 -4.44 120.40 108.38 1xfe s VAL 58 Ca 0.00 -0.22 0.00 0.00 -1.81 0.00 0.00 61.98 59.95 1xfe s VAL 58 Cb 0.00 -0.78 -0.01 0.00 0.56 0.00 0.00 36.38 36.15 1xfe s VAL 58 CO 0.00 0.01 -0.15 0.00 -0.31 0.00 0.00 175.10 174.65 1xfe s ASN 60 N 0.39 6.32 -0.43 0.00 4.22 0.04 -4.51 114.94 120.96 1xfe s ASN 60 Ca -0.12 0.07 -0.22 0.00 -2.14 0.00 0.00 52.86 50.45 1xfe s ASN 60 Cb -0.16 -2.26 0.02 0.00 1.28 0.00 0.00 41.25 40.13 1xfe s ASN 60 CO 0.06 -0.42 0.70 -0.62 -2.04 0.00 0.00 177.10 174.79 1xfe s ASP 61 N 1.72 6.37 0.24 3.54 2.15 -1.26 -0.93 116.67 128.50 1xfe s ASP 61 Ca 0.18 -0.19 -0.02 0.00 0.43 0.00 0.00 52.55 52.96 1xfe s ASP 61 Cb -0.16 -2.35 -0.04 0.00 -0.30 0.00 0.00 42.92 40.07 1xfe s ASP 61 CO 0.12 -0.82 0.45 -0.76 -0.17 0.00 0.00 175.17 173.99 1xfe s LEU 62 N 3.01 4.16 0.63 -1.34 1.43 -0.74 -4.92 118.68 120.90 1xfe s LEU 62 Ca 0.26 0.48 0.38 0.00 -1.03 0.00 0.00 54.13 54.22 1xfe s LEU 62 Cb -0.13 -3.27 2.11 0.00 0.03 0.00 0.00 46.19 44.92 1xfe s LEU 62 CO 0.20 -0.11 2.30 0.11 0.23 0.00 0.00 176.35 179.08 1xfe h LYS 63 N 1.76 0.00 -0.04 1.70 6.56 -1.75 -1.92 116.57 122.89 1xfe h LYS 63 Ca -0.48 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.09 1xfe h LYS 63 Cb 1.19 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.84 1xfe h LYS 63 CO 0.67 0.01 -0.38 1.51 -2.06 0.00 0.00 179.45 179.19 1xfe n ILE 64 N -3.40 2.20 0.00 1.86 0.13 -1.26 -3.08 119.36 115.82 1xfe n ILE 64 Ca -0.03 -3.04 0.00 0.00 -1.10 0.00 0.00 62.75 58.58 1xfe n ILE 64 Cb 0.10 -0.25 0.00 0.00 -0.84 0.00 0.00 39.64 38.65 1xfe n ILE 64 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1xfe n GLY 65 N -1.16 4.37 3.87 4.50 0.00 -0.72 -5.13 105.19 110.92 1xfe n GLY 65 Ca 0.20 -1.12 -0.33 0.00 0.00 0.00 0.00 46.02 44.77 1xfe n GLY 65 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xfe s TYR 66 N -0.77 3.48 0.27 1.61 -0.85 -1.26 -1.80 117.35 118.03 1xfe s TYR 66 Ca 0.00 0.33 0.05 0.00 -0.52 0.00 0.00 57.07 56.92 1xfe s TYR 66 Cb 0.00 -1.81 -0.06 0.00 0.38 0.00 0.00 41.96 40.47 1xfe s TYR 66 CO 0.00 0.63 -0.02 -1.83 -1.52 0.00 0.00 175.55 172.81 1xfe s GLU 67 N -1.83 1.50 -0.09 -3.49 1.03 -0.11 -4.91 118.70 110.79 1xfe s GLU 67 Ca 0.25 -1.77 -0.09 0.00 0.03 0.00 0.00 54.97 53.39 1xfe s GLU 67 Cb -0.12 -0.91 -0.05 0.00 -0.80 0.00 0.00 34.13 32.25 1xfe s GLU 67 CO 0.17 -0.06 0.22 0.00 -1.33 0.00 0.00 175.26 174.25 1xfe s LEU 69 N -0.91 3.00 -0.29 0.00 1.43 0.34 -4.88 118.68 117.37 1xfe s LEU 69 Ca 0.17 -1.22 -0.24 0.00 -1.03 0.00 0.00 54.13 51.81 1xfe s LEU 69 Cb -0.13 -1.18 0.14 0.00 0.03 0.00 0.00 46.19 45.05 1xfe s LEU 69 CO 0.06 -0.49 1.14 0.00 0.23 0.00 0.00 176.35 177.28 1xfe n PRO 71 N 2.13 -0.36 -1.44 0.00 -0.02 -1.26 -4.79 135.00 129.27 1xfe n PRO 71 Ca -0.12 -0.09 -0.36 0.00 -2.02 0.00 0.00 63.50 60.91 1xfe n PRO 71 Cb 0.56 -1.34 0.08 0.00 -0.02 0.00 0.00 33.50 32.78 1xfe n PRO 71 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1xfe n ASP 72 N 1.34 0.89 -1.37 2.55 8.00 -1.26 -2.97 116.55 123.73 1xfe n ASP 72 Ca 0.01 0.71 -0.14 0.00 0.71 0.00 0.00 54.79 56.08 1xfe n ASP 72 Cb 0.61 -1.44 -0.03 0.00 -0.02 0.00 0.00 41.12 40.23 1xfe n ASP 72 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xfe n GLY 73 N 1.03 0.48 3.13 0.44 0.00 -1.26 -5.01 105.19 104.00 1xfe n GLY 73 Ca 0.14 -0.33 -0.24 0.00 0.00 0.00 0.00 46.02 45.59 1xfe n GLY 73 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xfe s PHE 74 N -2.62 1.42 -0.30 1.61 0.08 -1.16 -5.06 117.98 111.95 1xfe s PHE 74 Ca 0.00 -0.30 -0.05 0.00 0.12 0.00 0.00 56.93 56.70 1xfe s PHE 74 Cb 0.00 -0.93 0.03 0.00 -0.57 0.00 0.00 43.02 41.55 1xfe s PHE 74 CO 0.00 -0.05 0.05 -1.14 -0.10 0.00 0.00 175.22 173.98 1xfe s GLN 75 N -0.28 2.83 -0.16 0.44 2.00 0.10 -4.86 119.66 119.73 1xfe s GLN 75 Ca 0.04 -1.02 -0.29 0.00 -2.00 0.00 0.00 55.36 52.09 1xfe s GLN 75 Cb -0.07 -3.30 -0.04 0.00 0.80 0.00 0.00 33.01 30.40 1xfe s GLN 75 CO -0.00 -0.52 1.74 -1.17 -0.50 0.00 0.00 175.29 174.84 1xfe s LEU 76 N 1.41 3.98 -0.04 3.68 2.96 -1.25 0.13 118.68 129.54 1xfe s LEU 76 Ca -0.00 1.89 -0.08 0.00 -0.22 0.00 0.00 54.13 55.72 1xfe s LEU 76 Cb -0.18 -3.53 -0.05 0.00 0.50 0.00 0.00 46.19 42.93 1xfe s LEU 76 CO 0.01 -1.26 0.25 -0.69 -1.32 0.00 0.00 176.35 173.34 1xfe s VAL 77 N 5.27 5.32 -0.25 1.68 1.01 0.93 -4.25 120.40 130.12 1xfe s VAL 77 Ca 0.77 0.33 0.00 0.00 0.00 0.00 0.00 61.98 63.08 1xfe s VAL 77 Cb -0.30 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.55 1xfe s VAL 77 CO 0.31 0.51 0.00 0.00 0.00 0.00 0.00 175.10 175.92 1xfe n ALA 78 N 1.60 -0.04 -1.12 5.51 0.00 -1.26 0.11 120.51 125.30 1xfe n ALA 78 Ca -0.15 0.04 -0.04 0.00 0.00 0.00 0.00 53.44 53.28 1xfe n ALA 78 Cb 0.54 -0.59 -0.02 0.00 0.00 0.00 0.00 19.45 19.37 1xfe n ALA 78 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1xfe n GLN 79 N -2.68 -1.27 0.00 0.00 3.00 -1.26 -4.50 117.38 110.67 1xfe n GLN 79 Ca -0.02 0.54 0.00 0.00 -0.01 0.00 0.00 57.00 57.51 1xfe n GLN 79 Cb 0.11 -4.60 0.00 0.00 0.00 0.00 0.00 30.24 25.75 1xfe n GLN 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1xfe n ARG 80 N -0.92 0.00 -2.54 -1.09 1.74 -1.19 -4.79 116.66 107.87 1xfe n ARG 80 Ca -0.04 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.73 1xfe n ARG 80 Cb 0.38 -0.07 -0.03 0.00 -1.02 0.00 0.00 32.46 31.72 1xfe n ARG 80 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1xfe s ARG 81 N -1.00 3.81 -0.14 5.56 6.06 0.29 -2.74 118.95 130.79 1xfe s ARG 81 Ca 0.00 0.69 -0.08 0.00 -2.50 0.00 0.00 55.73 53.84 1xfe s ARG 81 Cb 0.00 -2.25 -0.04 0.00 0.06 0.00 0.00 34.95 32.72 1xfe s ARG 81 CO 0.00 -0.21 0.13 0.00 -2.50 0.00 0.00 175.30 172.72