#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 1.55 0.27 1.61 4.22 -1.26 -5.13 114.94 116.20 1xfe s ASN 2 Ca 0.00 -0.24 -0.29 0.00 -2.14 0.00 0.00 52.86 50.19 1xfe s ASN 2 Cb 0.00 -0.70 -0.09 0.00 1.28 0.00 0.00 41.25 41.74 1xfe s ASN 2 CO 0.00 -0.02 0.99 0.68 -2.04 0.00 0.00 177.10 176.71 1xfe s VAL 3 N 0.89 3.92 -0.13 3.54 -7.23 -1.26 -4.99 120.40 115.14 1xfe s VAL 3 Ca -0.11 1.87 -0.29 0.00 -1.81 0.00 0.00 61.98 61.64 1xfe s VAL 3 Cb -0.15 -4.16 -0.04 0.00 0.56 0.00 0.00 36.38 32.59 1xfe s VAL 3 CO 0.01 0.40 1.55 0.42 -0.31 0.00 0.00 175.10 177.17 1xfe s THR 4 N -1.25 3.78 -0.36 5.32 -4.23 -1.26 -4.88 115.64 112.75 1xfe s THR 4 Ca 0.44 0.92 0.09 0.00 -1.18 0.00 0.00 61.69 61.95 1xfe s THR 4 Cb -0.26 -3.66 0.66 0.00 1.34 0.00 0.00 72.50 70.58 1xfe s THR 4 CO 0.33 -0.16 1.68 0.18 -0.54 0.00 0.00 174.62 176.12 1xfe n LEU 5 N 7.45 5.63 -2.56 4.79 4.77 -1.26 -4.99 117.00 130.82 1xfe n LEU 5 Ca 0.17 -2.92 -0.03 0.00 -0.03 0.00 0.00 56.01 53.19 1xfe n LEU 5 Cb 0.44 -0.72 -0.03 0.00 -2.33 0.00 0.00 43.42 40.78 1xfe n LEU 5 CO 0.62 0.75 -0.52 0.00 -1.33 0.00 0.00 177.39 176.91 1xfe s GLU 7 N -0.54 3.53 0.00 0.00 -1.05 -1.26 -5.03 118.70 114.35 1xfe s GLU 7 Ca -0.17 -0.57 0.00 0.00 -0.15 0.00 0.00 54.97 54.09 1xfe s GLU 7 Cb 0.01 -3.01 0.00 0.00 -0.44 0.00 0.00 34.13 30.69 1xfe s GLU 7 CO 0.45 -0.02 0.00 0.41 0.95 0.00 0.00 175.26 177.05 1xfe n GLY 8 N 4.31 4.55 1.54 -3.83 0.00 -1.26 -4.91 105.19 105.59 1xfe n GLY 8 Ca -0.18 -1.18 -0.10 0.00 0.00 0.00 0.00 46.02 44.57 1xfe n GLY 8 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1xfe n PRO 9 N -1.89 1.49 -2.41 1.61 -0.04 -1.26 -3.97 135.00 128.52 1xfe n PRO 9 Ca 0.00 -1.09 -0.03 0.00 -0.04 0.00 0.00 63.50 62.34 1xfe n PRO 9 Cb 0.00 -1.43 -0.00 0.00 -0.04 0.00 0.00 33.50 32.03 1xfe n PRO 9 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1xfe n ASN 10 N 0.13 -0.93 -4.88 3.54 6.94 -1.26 -5.12 115.26 113.68 1xfe n ASN 10 Ca 0.21 -1.56 -0.21 0.00 -0.02 0.00 0.00 54.58 53.01 1xfe n ASN 10 Cb 0.81 0.77 -0.03 0.00 -2.36 0.00 0.00 39.78 38.97 1xfe n ASN 10 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1xfe s LYS 11 N 0.03 2.80 -0.11 -3.83 1.02 -1.25 -3.07 119.74 115.34 1xfe s LYS 11 Ca 0.03 -1.24 -0.13 0.00 0.02 0.00 0.00 55.97 54.66 1xfe s LYS 11 Cb 0.08 -2.54 0.03 0.00 -0.52 0.00 0.00 37.83 34.88 1xfe s LYS 11 CO -0.02 0.10 0.35 0.12 -0.92 0.00 0.00 175.35 174.98 1xfe s PHE 12 N -2.28 -0.35 -0.16 3.18 2.19 0.30 -4.59 117.98 116.29 1xfe s PHE 12 Ca 0.41 0.81 0.01 0.00 0.33 0.00 0.00 56.93 58.50 1xfe s PHE 12 Cb -0.06 0.13 0.01 0.00 -1.31 0.00 0.00 43.02 41.78 1xfe s PHE 12 CO 0.27 -0.23 -0.19 -1.59 1.83 0.00 0.00 175.22 175.31 1xfe s LYS 13 N -0.14 3.07 -0.94 10.12 0.00 -1.26 0.17 119.74 130.77 1xfe s LYS 13 Ca -0.03 -0.82 -0.08 0.00 0.00 0.00 0.00 55.97 55.04 1xfe s LYS 13 Cb -0.03 -2.54 -0.07 0.00 0.00 0.00 0.00 37.83 35.19 1xfe s LYS 13 CO 0.01 -0.07 2.12 0.00 0.00 0.00 0.00 175.35 177.41 1xfe n HIS 15 N 4.68 0.00 -0.70 0.00 -0.00 -1.26 0.86 115.22 118.80 1xfe n HIS 15 Ca 0.47 0.00 -0.06 0.00 0.46 0.00 0.00 57.72 58.59 1xfe n HIS 15 Cb 0.18 0.00 0.25 0.00 -0.12 0.00 0.00 29.99 30.30 1xfe n HIS 15 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1xfe n SER 16 N 1.20 4.36 0.00 0.26 2.88 -1.26 -4.90 113.62 116.17 1xfe n SER 16 Ca 0.00 -3.03 0.00 0.00 -1.33 0.00 0.00 58.87 54.51 1xfe n SER 16 Cb 0.00 -0.71 0.00 0.00 -0.75 0.00 0.00 64.21 62.75 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 -0.10 3.91 0.63 0.46 0.00 0.25 -4.91 105.19 105.43 1xfe n GLY 17 Ca 0.35 -1.79 -0.05 0.00 0.00 0.00 0.00 46.02 44.53 1xfe n GLY 17 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1xfe n GLU 18 N 0.00 1.66 -2.83 1.61 0.28 -1.26 -4.64 120.64 115.46 1xfe n GLU 18 Ca 0.00 -0.62 -0.40 0.00 -0.16 0.00 0.00 57.16 55.98 1xfe n GLU 18 Cb 0.00 0.14 -0.05 0.00 1.43 0.00 0.00 31.44 32.95 1xfe n GLU 18 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1xfe s ILE 20 N -0.69 0.00 0.16 0.00 -4.36 0.45 -4.90 121.20 111.85 1xfe s ILE 20 Ca 0.41 -1.74 -0.19 0.00 -0.26 0.00 0.00 60.65 58.88 1xfe s ILE 20 Cb -0.24 -2.54 -0.07 0.00 1.25 0.00 0.00 42.46 40.86 1xfe s ILE 20 CO 0.29 0.00 0.64 0.42 0.24 0.00 0.00 174.94 176.53 1xfe s THR 21 N -3.42 4.67 0.23 8.37 -4.23 -1.26 0.11 115.64 120.10 1xfe s THR 21 Ca 0.33 1.19 0.26 0.00 -1.18 0.00 0.00 61.69 62.30 1xfe s THR 21 Cb 0.01 -3.87 0.27 0.00 1.34 0.00 0.00 72.50 70.25 1xfe s THR 21 CO 0.20 0.34 1.92 0.17 -0.54 0.00 0.00 174.62 176.71 1xfe h LEU 22 N 3.84 0.00 -0.03 4.79 8.10 -1.79 -3.32 115.31 126.90 1xfe h LEU 22 Ca -0.48 0.00 0.01 0.00 0.11 0.00 0.00 57.88 57.52 1xfe h LEU 22 Cb 1.20 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 41.40 1xfe h LEU 22 CO 0.65 0.17 -0.21 0.44 -4.11 0.00 0.00 178.44 175.38 1xfe h ASP 23 N 0.00 -0.66 0.00 0.17 3.32 -1.93 0.09 116.42 117.42 1xfe h ASP 23 Ca -0.00 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1xfe h ASP 23 Cb 0.59 0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.40 1xfe h ASP 23 CO 0.02 -0.19 0.00 2.29 -1.72 0.00 0.00 179.24 179.64 1xfe n LYS 24 N -3.66 0.31 -1.75 3.56 -0.00 -1.25 -4.82 118.16 110.55 1xfe n LYS 24 Ca -0.03 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.87 1xfe n LYS 24 Cb 0.15 -1.12 -0.02 0.00 -0.00 0.00 0.00 35.03 34.04 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 0.18 0.99 -3.63 0.58 0.31 0.02 -2.56 118.33 114.21 1xfe n VAL 25 Ca 0.00 -0.25 -0.22 0.00 -0.01 0.00 0.00 64.34 63.86 1xfe n VAL 25 Cb 0.06 -1.97 0.06 0.00 -0.91 0.00 0.00 33.84 31.08 1xfe n VAL 25 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xfe n ASN 27 N -3.04 -1.17 0.10 0.00 6.94 -1.06 -4.94 115.26 112.10 1xfe n ASN 27 Ca -0.17 -1.10 0.11 0.00 -0.02 0.00 0.00 54.58 53.40 1xfe n ASN 27 Cb 0.63 -0.72 0.00 0.00 -2.36 0.00 0.00 39.78 37.32 1xfe n ASN 27 CO 0.00 0.00 0.00 0.80 -1.03 0.00 0.00 177.26 177.03 1xfe n MET 28 N -3.60 0.60 -3.80 -3.83 1.56 -1.26 -4.93 117.12 101.84 1xfe n MET 28 Ca 0.11 0.12 -0.22 0.00 -0.27 0.00 0.00 57.70 57.44 1xfe n MET 28 Cb 0.42 -1.82 -0.05 0.00 2.15 0.00 0.00 33.22 33.92 1xfe n MET 28 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1xfe s ALA 29 N -3.36 3.87 0.31 -5.12 0.00 -1.26 -5.10 121.76 111.10 1xfe s ALA 29 Ca -0.00 -1.98 -0.29 0.00 0.00 0.00 0.00 51.96 49.70 1xfe s ALA 29 Cb 0.10 -0.74 -0.10 0.00 0.00 0.00 0.00 23.12 22.38 1xfe s ALA 29 CO 0.79 -0.20 1.17 1.03 0.00 0.00 0.00 175.76 178.55 1xfe s ARG 30 N -4.04 4.47 0.00 0.00 0.52 -1.26 -4.93 118.95 113.71 1xfe s ARG 30 Ca 0.45 1.93 0.00 0.00 -0.52 0.00 0.00 55.73 57.59 1xfe s ARG 30 Cb -0.00 -3.07 0.00 0.00 0.52 0.00 0.00 34.95 32.40 1xfe s ARG 30 CO 0.26 0.02 0.00 -0.25 0.02 0.00 0.00 175.30 175.34 1xfe n ASP 31 N 0.90 2.03 -2.70 0.23 9.92 -1.26 -5.12 116.55 120.55 1xfe n ASP 31 Ca 0.00 0.00 -0.14 0.00 -0.53 0.00 0.00 54.79 54.12 1xfe n ASP 31 Cb 0.44 0.23 -0.05 0.00 -0.64 0.00 0.00 41.12 41.11 1xfe n ASP 31 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1xfe n ARG 33 N -0.49 0.63 0.13 0.00 3.00 -1.26 -4.28 116.66 114.39 1xfe n ARG 33 Ca 0.01 0.27 0.12 0.00 -0.00 0.00 0.00 57.85 58.25 1xfe n ARG 33 Cb 0.39 -1.57 0.49 0.00 0.00 0.00 0.00 32.46 31.77 1xfe n ARG 33 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1xfe n ASP 34 N -3.82 0.68 -0.79 6.15 9.92 -1.26 -4.86 116.55 122.57 1xfe n ASP 34 Ca -0.45 0.67 -0.10 0.00 -0.53 0.00 0.00 54.79 54.37 1xfe n ASP 34 Cb 0.92 -0.81 -0.04 0.00 -0.64 0.00 0.00 41.12 40.54 1xfe n ASP 34 CO 0.00 0.00 0.00 0.79 0.13 0.00 0.00 177.20 178.12 1xfe n TRP 35 N -2.25 0.00 0.21 1.24 7.02 -1.26 -4.84 117.44 117.56 1xfe n TRP 35 Ca 0.02 0.00 0.08 0.00 -1.02 0.00 0.00 57.50 56.58 1xfe n TRP 35 Cb 0.24 -2.42 0.47 0.00 -2.42 0.00 0.00 31.31 27.18 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 0.00 0.00 0.75 -0.99 0.02 -1.89 -2.79 113.55 108.65 1xfe h SER 36 Ca -0.21 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.49 1xfe h SER 36 Cb 0.99 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.53 1xfe h SER 36 CO 0.31 0.28 -1.14 -0.78 -1.14 0.00 0.00 176.83 174.36 1xfe h ASP 37 N 0.00 0.28 -2.53 3.07 3.58 -1.88 -3.37 116.42 115.57 1xfe h ASP 37 Ca -0.00 -0.29 -0.75 0.00 0.42 0.00 0.00 57.03 56.40 1xfe h ASP 37 Cb 0.66 -0.09 -0.32 0.00 1.72 0.00 0.00 39.33 41.31 1xfe h ASP 37 CO 0.04 1.22 0.47 -0.62 -2.88 0.00 0.00 179.24 177.47 1xfe n GLU 38 N -3.48 4.31 -2.34 0.28 4.71 -1.05 -1.18 120.64 121.89 1xfe n GLU 38 Ca -0.05 -4.65 -0.37 0.00 -0.01 0.00 0.00 57.16 52.08 1xfe n GLU 38 Cb 0.98 -2.43 -0.04 0.00 -1.01 0.00 0.00 31.44 28.95 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 -3.28 3.07 0.57 3.49 0.04 -1.24 -4.83 135.00 132.82 1xfe s PRO 39 Ca 0.37 -0.45 0.30 0.00 0.04 0.00 0.00 61.00 61.25 1xfe s PRO 39 Cb 0.13 -4.90 1.45 0.00 0.04 0.00 0.00 34.50 31.23 1xfe s PRO 39 CO -0.01 -2.61 1.87 0.82 0.04 0.00 0.00 177.00 177.11 1xfe h ILE 40 N 6.79 0.41 0.00 0.56 2.04 -1.91 0.42 117.51 125.83 1xfe h ILE 40 Ca 0.01 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.73 1xfe h ILE 40 Cb 1.04 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.67 1xfe h ILE 40 CO 1.31 0.00 -0.66 0.50 0.00 0.00 0.00 178.15 179.29 1xfe h LYS 41 N 0.00 0.00 -0.02 2.37 3.64 -1.93 -3.23 116.57 117.40 1xfe h LYS 41 Ca 0.30 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 1xfe h LYS 41 Cb 1.44 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.26 1xfe h LYS 41 CO -0.00 0.66 -0.02 0.39 -2.27 0.00 0.00 179.45 178.21 1xfe n GLU 42 N -3.31 2.01 -2.25 1.90 1.02 0.14 -4.58 120.64 115.56 1xfe n GLU 42 Ca 0.01 -1.50 -0.43 0.00 -0.02 0.00 0.00 57.16 55.22 1xfe n GLU 42 Cb 0.78 -1.47 -0.02 0.00 -0.02 0.00 0.00 31.44 30.71 1xfe n GLU 42 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xfe n GLY 44 N 5.12 1.36 3.56 0.00 0.00 -1.26 -4.87 105.19 109.10 1xfe n GLY 44 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.30 3.53 -1.13 2.61 2.01 -1.23 -4.88 115.64 114.24 1xfe s THR 45 Ca 0.00 0.37 -0.16 0.00 0.31 0.00 0.00 61.69 62.21 1xfe s THR 45 Cb 0.00 -4.19 -0.06 0.00 0.01 0.00 0.00 72.50 68.26 1xfe s THR 45 CO 0.00 -1.08 2.16 -3.20 -0.69 0.00 0.00 174.62 171.81 1xfe n ASN 46 N 11.23 3.92 0.06 3.53 2.85 -1.26 -4.53 115.26 131.06 1xfe n ASN 46 Ca 0.16 -2.69 -0.04 0.00 -0.11 0.00 0.00 54.58 51.90 1xfe n ASN 46 Cb 0.50 -1.36 -0.08 0.00 1.24 0.00 0.00 39.78 40.08 1xfe n ASN 46 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 1xfe h GLU 47 N 6.71 0.00 0.00 1.20 5.08 -1.96 -3.24 114.58 122.37 1xfe h GLU 47 Ca 0.53 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.89 1xfe h GLU 47 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1xfe h GLU 47 CO 1.86 0.69 0.00 0.00 -1.00 0.00 0.00 179.01 180.56 1xfe n LEU 49 N -1.30 0.16 0.02 0.00 4.77 -1.26 0.19 117.00 119.58 1xfe n LEU 49 Ca 0.00 0.50 0.02 0.00 -0.03 0.00 0.00 56.01 56.49 1xfe n LEU 49 Cb 0.00 -0.50 0.08 0.00 -2.33 0.00 0.00 43.42 40.67 1xfe n LEU 49 CO 0.00 -0.55 0.55 -0.67 -1.33 0.00 0.00 177.39 175.38 1xfe n ASP 50 N -1.67 0.08 0.00 -1.43 2.03 -0.97 -4.68 116.55 109.91 1xfe n ASP 50 Ca -0.00 0.52 0.00 0.00 0.52 0.00 0.00 54.79 55.83 1xfe n ASP 50 Cb 0.11 -0.53 0.00 0.00 -0.72 0.00 0.00 41.12 39.98 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 -1.59 0.00 0.07 1.67 6.94 -0.94 -5.00 115.26 116.41 1xfe n ASN 51 Ca -0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 54.58 54.38 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 0.43 0.00 0.53 -1.07 -1.83 -3.43 115.58 110.20 1xfe h ASN 52 Ca 0.00 -0.57 -0.02 0.00 0.07 0.00 0.00 56.30 55.79 1xfe h ASN 52 Cb 0.00 -0.14 -0.02 0.00 -2.07 0.00 0.00 38.32 36.09 1xfe h ASN 52 CO 0.00 1.47 -0.04 0.61 0.07 0.00 0.00 177.43 179.54 1xfe n GLY 53 N 1.66 -0.13 4.02 9.14 0.00 -1.24 -4.76 105.19 113.88 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 1.09 0.74 -0.02 0.00 0.50 -0.87 105.19 106.64 1xfe n GLY 54 Ca -0.04 0.00 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 -1.87 -0.43 0.00 0.00 7.64 -1.10 -4.16 113.62 113.70 1xfe n SER 56 Ca 0.00 0.12 0.00 0.00 1.01 0.00 0.00 58.87 60.00 1xfe n SER 56 Cb 0.00 0.69 0.00 0.00 -1.01 0.00 0.00 64.21 63.89 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 -2.31 0.00 -3.77 1.43 8.25 -1.26 -3.65 115.22 113.91 1xfe n HIS 57 Ca 0.00 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.20 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 -0.86 0.57 -0.14 1.59 -7.23 -1.24 -4.37 120.40 108.71 1xfe s VAL 58 Ca 0.00 -0.32 -0.02 0.00 -1.81 0.00 0.00 61.98 59.82 1xfe s VAL 58 Cb 0.00 -0.89 -0.02 0.00 0.56 0.00 0.00 36.38 36.02 1xfe s VAL 58 CO 0.00 0.02 -0.06 0.00 -0.31 0.00 0.00 175.10 174.75 1xfe s ASN 60 N 0.21 6.32 -0.44 0.00 3.84 0.32 -4.61 114.94 120.57 1xfe s ASN 60 Ca -0.04 -0.32 -0.22 0.00 0.21 0.00 0.00 52.86 52.49 1xfe s ASN 60 Cb -0.14 -2.31 0.02 0.00 -0.55 0.00 0.00 41.25 38.28 1xfe s ASN 60 CO 0.03 -0.72 0.73 -0.62 -2.79 0.00 0.00 177.10 173.73 1xfe s ASP 61 N 1.95 6.39 0.17 -4.21 -1.08 -1.26 0.72 116.67 119.34 1xfe s ASP 61 Ca 0.21 -0.16 -0.00 0.00 -0.52 0.00 0.00 52.55 52.08 1xfe s ASP 61 Cb -0.15 -2.36 -0.04 0.00 -1.46 0.00 0.00 42.92 38.91 1xfe s ASP 61 CO 0.18 -0.85 0.35 -0.76 0.52 0.00 0.00 175.17 174.61 1xfe s LEU 62 N 3.10 4.27 0.66 -1.34 1.43 -0.78 -4.92 118.68 121.10 1xfe s LEU 62 Ca 0.27 0.36 0.41 0.00 -1.03 0.00 0.00 54.13 54.14 1xfe s LEU 62 Cb -0.13 -3.11 2.22 0.00 0.03 0.00 0.00 46.19 45.20 1xfe s LEU 62 CO 0.21 0.01 2.26 0.11 0.23 0.00 0.00 176.35 179.17 1xfe h LYS 63 N 2.23 0.00 -0.18 1.70 6.56 -1.92 -1.18 116.57 123.78 1xfe h LYS 63 Ca -0.48 0.00 -0.09 0.00 -1.06 0.00 0.00 60.65 59.03 1xfe h LYS 63 Cb 1.19 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 32.79 1xfe h LYS 63 CO 0.69 0.00 -0.24 1.51 -2.06 0.00 0.00 179.45 179.35 1xfe n ILE 64 N -3.07 2.36 0.00 1.86 3.06 -1.25 -2.76 119.36 119.55 1xfe n ILE 64 Ca -0.03 -2.88 0.00 0.00 -2.50 0.00 0.00 62.75 57.34 1xfe n ILE 64 Cb 0.15 -0.28 0.00 0.00 0.54 0.00 0.00 39.64 40.05 1xfe n ILE 64 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1xfe n GLY 65 N -1.12 4.16 3.84 4.50 0.00 -0.44 -5.04 105.19 111.09 1xfe n GLY 65 Ca 0.26 -1.22 -0.36 0.00 0.00 0.00 0.00 46.02 44.69 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 -0.78 3.67 0.24 1.61 -0.85 -1.26 -1.87 117.35 118.12 1xfe s TYR 66 Ca 0.00 1.04 0.10 0.00 -0.52 0.00 0.00 57.07 57.69 1xfe s TYR 66 Cb 0.00 -2.34 -0.05 0.00 0.38 0.00 0.00 41.96 39.95 1xfe s TYR 66 CO 0.00 0.53 -0.17 -1.83 -1.52 0.00 0.00 175.55 172.56 1xfe s GLU 67 N -1.58 1.51 -0.11 -3.49 1.03 0.22 -4.90 118.70 111.38 1xfe s GLU 67 Ca 0.32 -1.68 -0.10 0.00 0.03 0.00 0.00 54.97 53.54 1xfe s GLU 67 Cb -0.16 -1.44 -0.05 0.00 -0.80 0.00 0.00 34.13 31.68 1xfe s GLU 67 CO 0.18 0.25 0.21 0.00 -1.33 0.00 0.00 175.26 174.56 1xfe s LEU 69 N -0.70 2.89 -0.27 0.00 1.43 0.34 -4.81 118.68 117.55 1xfe s LEU 69 Ca 0.16 -1.05 -0.23 0.00 -1.03 0.00 0.00 54.13 51.98 1xfe s LEU 69 Cb -0.13 -1.24 0.07 0.00 0.03 0.00 0.00 46.19 44.93 1xfe s LEU 69 CO 0.05 -0.20 0.73 0.00 0.23 0.00 0.00 176.35 177.16 1xfe n PRO 71 N 3.01 -0.20 -1.67 0.00 -0.04 -1.26 -4.74 135.00 130.09 1xfe n PRO 71 Ca -0.15 -0.05 -0.38 0.00 -0.04 0.00 0.00 63.50 62.88 1xfe n PRO 71 Cb 0.56 -1.25 0.05 0.00 -0.04 0.00 0.00 33.50 32.82 1xfe n PRO 71 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1xfe n ASP 72 N 2.00 1.58 -0.94 3.54 8.00 -1.26 -2.43 116.55 127.05 1xfe n ASP 72 Ca 0.00 0.87 -0.12 0.00 0.71 0.00 0.00 54.79 56.25 1xfe n ASP 72 Cb 0.60 -1.47 -0.05 0.00 -0.02 0.00 0.00 41.12 40.17 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 1.07 1.31 3.15 0.44 0.00 -1.26 -5.00 105.19 104.90 1xfe n GLY 73 Ca 0.13 -0.42 -0.22 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.43 1.35 0.30 1.61 0.08 -1.02 -5.14 117.98 112.73 1xfe s PHE 74 Ca 0.00 -0.32 0.08 0.00 0.12 0.00 0.00 56.93 56.82 1xfe s PHE 74 Cb 0.00 -0.83 -0.04 0.00 -0.57 0.00 0.00 43.02 41.58 1xfe s PHE 74 CO 0.00 0.02 0.14 -0.65 -0.10 0.00 0.00 175.22 174.63 1xfe s GLN 75 N -0.85 2.54 -0.31 0.44 -0.21 -1.22 -4.82 119.66 115.24 1xfe s GLN 75 Ca 0.04 -1.35 -0.06 0.00 0.02 0.00 0.00 55.36 54.01 1xfe s GLN 75 Cb -0.07 -2.32 0.03 0.00 1.00 0.00 0.00 33.01 31.65 1xfe s GLN 75 CO 0.01 0.25 0.08 -1.17 -2.12 0.00 0.00 175.29 172.33 1xfe s LEU 76 N -3.82 4.03 -0.01 2.90 2.96 -1.21 0.14 118.68 123.66 1xfe s LEU 76 Ca 0.35 -0.95 -0.10 0.00 -0.22 0.00 0.00 54.13 53.21 1xfe s LEU 76 Cb -0.05 -1.85 -0.05 0.00 0.50 0.00 0.00 46.19 44.73 1xfe s LEU 76 CO 0.23 -0.25 0.31 0.68 -1.32 0.00 0.00 176.35 175.99 1xfe s VAL 77 N 1.43 5.22 -0.18 1.68 -7.23 0.71 -4.18 120.40 117.85 1xfe s VAL 77 Ca 0.00 0.45 0.00 0.00 -1.81 0.00 0.00 61.98 60.63 1xfe s VAL 77 Cb -0.18 -3.59 0.00 0.00 0.56 0.00 0.00 36.38 33.17 1xfe s VAL 77 CO 0.02 0.49 0.00 0.00 -0.31 0.00 0.00 175.10 175.30 1xfe n ALA 78 N 1.52 -0.03 -0.98 1.32 0.00 -1.26 0.10 120.51 121.18 1xfe n ALA 78 Ca -0.14 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1xfe n ALA 78 Cb 0.53 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.48 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 -2.54 -0.88 0.00 0.00 6.02 -1.26 -4.55 117.38 114.17 1xfe n GLN 79 Ca -0.02 0.22 0.00 0.00 -0.01 0.00 0.00 57.00 57.19 1xfe n GLN 79 Cb 0.11 -3.92 0.00 0.00 1.02 0.00 0.00 30.24 27.45 1xfe n GLN 79 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1xfe n ARG 80 N -1.16 0.00 -2.18 -1.09 1.74 -1.18 -4.79 116.66 108.00 1xfe n ARG 80 Ca 0.00 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.79 1xfe n ARG 80 Cb 0.22 -0.12 0.02 0.00 -1.02 0.00 0.00 32.46 31.56 1xfe n ARG 80 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1xfe s ARG 81 N -1.00 3.37 -0.42 5.56 1.81 0.28 -2.69 118.95 125.85 1xfe s ARG 81 Ca 0.00 0.43 -0.08 0.00 -1.72 0.00 0.00 55.73 54.36 1xfe s ARG 81 Cb 0.00 -2.19 0.09 0.00 -0.45 0.00 0.00 34.95 32.40 1xfe s ARG 81 CO 0.00 -0.55 0.26 0.00 -0.68 0.00 0.00 175.30 174.33