#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 1.59 -0.14 1.61 3.84 -1.26 -5.14 114.94 115.43 1xfe s ASN 2 Ca 0.00 -0.30 -0.07 0.00 0.21 0.00 0.00 52.86 52.71 1xfe s ASN 2 Cb 0.00 -0.16 -0.04 0.00 -0.55 0.00 0.00 41.25 40.50 1xfe s ASN 2 CO 0.00 0.13 0.09 0.68 -2.79 0.00 0.00 177.10 175.21 1xfe s VAL 3 N -0.45 5.09 -0.01 -5.21 -7.23 -1.26 -5.10 120.40 106.22 1xfe s VAL 3 Ca 0.04 0.06 0.06 0.00 -1.81 0.00 0.00 61.98 60.34 1xfe s VAL 3 Cb -0.06 -3.24 -0.02 0.00 0.56 0.00 0.00 36.38 33.62 1xfe s VAL 3 CO -0.00 0.54 -0.21 -0.89 -0.31 0.00 0.00 175.10 174.24 1xfe s THR 4 N -0.38 1.63 -0.09 5.32 2.01 -1.26 -5.02 115.64 117.84 1xfe s THR 4 Ca 0.10 -0.91 0.06 0.00 0.31 0.00 0.00 61.69 61.25 1xfe s THR 4 Cb -0.12 -1.36 -0.10 0.00 0.01 0.00 0.00 72.50 70.93 1xfe s THR 4 CO 0.02 0.44 -0.00 -0.11 -0.69 0.00 0.00 174.62 174.27 1xfe n LEU 5 N 2.51 0.78 0.03 4.42 0.00 -1.26 -5.00 117.00 118.48 1xfe n LEU 5 Ca -0.15 -0.02 0.00 0.00 0.00 0.00 0.00 56.01 55.84 1xfe n LEU 5 Cb 0.53 0.06 0.00 0.00 0.00 0.00 0.00 43.42 44.01 1xfe n LEU 5 CO 0.24 0.34 0.00 0.00 0.00 0.00 0.00 177.39 177.97 1xfe s GLU 7 N -1.16 3.66 0.00 0.00 2.12 -1.26 -4.63 118.70 117.43 1xfe s GLU 7 Ca 0.00 0.39 0.00 0.00 0.36 0.00 0.00 54.97 55.72 1xfe s GLU 7 Cb 0.00 -3.89 0.00 0.00 0.26 0.00 0.00 34.13 30.50 1xfe s GLU 7 CO 0.00 -1.22 0.00 0.41 -0.54 0.00 0.00 175.26 173.91 1xfe n GLY 8 N 4.78 1.26 3.74 -1.50 0.00 -1.26 -4.93 105.19 107.27 1xfe n GLY 8 Ca 0.08 -0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 1xfe n GLY 8 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xfe s PRO 9 N 2.87 4.72 -1.60 1.61 0.04 -1.26 -3.99 135.00 137.39 1xfe s PRO 9 Ca 0.00 1.51 -0.07 0.00 0.04 0.00 0.00 61.00 62.48 1xfe s PRO 9 Cb 0.00 -3.33 0.07 0.00 0.04 0.00 0.00 34.50 31.27 1xfe s PRO 9 CO 0.00 0.27 0.34 0.27 0.04 0.00 0.00 177.00 177.92 1xfe n ASN 10 N 2.37 -0.53 -4.93 6.66 6.94 -1.26 -4.94 115.26 119.58 1xfe n ASN 10 Ca 0.01 -1.16 -0.26 0.00 -0.02 0.00 0.00 54.58 53.15 1xfe n ASN 10 Cb 0.48 -2.14 -0.02 0.00 -2.36 0.00 0.00 39.78 35.73 1xfe n ASN 10 CO 0.00 0.00 0.00 -1.59 -1.03 0.00 0.00 177.26 174.64 1xfe s LYS 11 N -7.08 3.54 -0.01 -3.83 0.00 -1.26 -3.28 119.74 107.82 1xfe s LYS 11 Ca 0.27 -0.23 -0.01 0.00 0.00 0.00 0.00 55.97 55.99 1xfe s LYS 11 Cb -0.15 -2.71 0.00 0.00 0.00 0.00 0.00 37.83 34.97 1xfe s LYS 11 CO 0.97 0.24 0.04 0.12 0.00 0.00 0.00 175.35 176.71 1xfe s PHE 12 N -2.12 -0.02 -0.03 1.78 2.19 0.19 -4.54 117.98 115.43 1xfe s PHE 12 Ca 0.41 0.05 0.05 0.00 0.33 0.00 0.00 56.93 57.77 1xfe s PHE 12 Cb -0.10 -0.00 -0.03 0.00 -1.31 0.00 0.00 43.02 41.58 1xfe s PHE 12 CO 0.32 -0.04 -0.17 -1.59 1.83 0.00 0.00 175.22 175.57 1xfe s LYS 13 N -0.12 2.38 0.24 10.12 -2.85 -1.26 0.10 119.74 128.36 1xfe s LYS 13 Ca -0.01 -0.77 -0.02 0.00 -1.00 0.00 0.00 55.97 54.16 1xfe s LYS 13 Cb -0.01 -2.29 0.05 0.00 -2.06 0.00 0.00 37.83 33.52 1xfe s LYS 13 CO 0.00 0.60 0.33 0.00 0.10 0.00 0.00 175.35 176.39 1xfe h HIS 15 N -0.81 0.69 0.00 0.00 2.76 -1.94 -3.12 115.15 112.73 1xfe h HIS 15 Ca -0.11 -0.40 0.00 0.00 -2.20 0.00 0.00 60.37 57.66 1xfe h HIS 15 Cb 0.35 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 29.24 1xfe h HIS 15 CO 0.00 1.24 0.00 -1.13 -1.30 0.00 0.00 177.93 176.74 1xfe n SER 16 N -3.73 0.00 0.00 3.26 3.41 -1.26 -4.85 113.62 110.45 1xfe n SER 16 Ca -0.08 0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 1xfe n SER 16 Cb 0.88 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 1xfe n SER 16 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xfe n GLY 17 N 0.68 1.48 2.50 5.00 0.00 -1.18 -5.10 105.19 108.56 1xfe n GLY 17 Ca 0.09 -0.12 -0.17 0.00 0.00 0.00 0.00 46.02 45.83 1xfe n GLY 17 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xfe n GLU 18 N -1.42 -0.26 -3.67 1.61 -0.58 -1.26 -4.82 120.64 110.25 1xfe n GLU 18 Ca 0.00 -1.58 -0.19 0.00 -0.42 0.00 0.00 57.16 54.96 1xfe n GLU 18 Cb 0.04 -0.61 -0.18 0.00 -0.57 0.00 0.00 31.44 30.12 1xfe n GLU 18 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1xfe s ILE 20 N 2.19 0.00 0.34 0.00 -4.36 0.29 -4.95 121.20 114.70 1xfe s ILE 20 Ca 0.05 -1.95 -0.27 0.00 -0.26 0.00 0.00 60.65 58.22 1xfe s ILE 20 Cb -0.12 -2.50 -0.09 0.00 1.25 0.00 0.00 42.46 40.99 1xfe s ILE 20 CO -0.03 0.00 1.07 -0.89 0.24 0.00 0.00 174.94 175.32 1xfe s THR 21 N -3.67 3.63 0.26 8.37 2.01 -1.26 0.57 115.64 125.55 1xfe s THR 21 Ca 0.39 1.44 0.16 0.00 0.31 0.00 0.00 61.69 63.99 1xfe s THR 21 Cb 0.04 -3.84 0.10 0.00 0.01 0.00 0.00 72.50 68.81 1xfe s THR 21 CO 0.21 0.19 1.75 0.17 -0.69 0.00 0.00 174.62 176.25 1xfe h LEU 22 N 3.17 0.00 -0.06 4.42 8.10 -1.79 -3.32 115.31 125.82 1xfe h LEU 22 Ca -0.47 0.00 0.02 0.00 0.11 0.00 0.00 57.88 57.53 1xfe h LEU 22 Cb 1.21 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 41.39 1xfe h LEU 22 CO 0.65 0.42 -0.37 0.44 -4.11 0.00 0.00 178.44 175.46 1xfe h ASP 23 N 0.00 -1.17 0.00 0.17 5.19 -1.92 0.87 116.42 119.56 1xfe h ASP 23 Ca -0.00 0.14 0.00 0.00 -0.62 0.00 0.00 57.03 56.54 1xfe h ASP 23 Cb 0.85 0.45 0.00 0.00 0.18 0.00 0.00 39.33 40.81 1xfe h ASP 23 CO 0.05 -0.34 0.00 2.29 -3.12 0.00 0.00 179.24 178.12 1xfe n LYS 24 N -4.53 0.17 -1.73 3.56 -0.00 -1.25 -4.80 118.16 109.58 1xfe n LYS 24 Ca -0.04 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.84 1xfe n LYS 24 Cb 0.26 -1.05 -0.02 0.00 -0.00 0.00 0.00 35.03 34.22 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 0.06 0.75 -3.53 0.58 0.31 0.30 -2.26 118.33 114.54 1xfe n VAL 25 Ca 0.00 -0.19 -0.21 0.00 -0.01 0.00 0.00 64.34 63.93 1xfe n VAL 25 Cb 0.03 -1.93 0.08 0.00 -0.91 0.00 0.00 33.84 31.11 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 -3.05 -2.02 0.02 0.00 6.94 -0.96 -4.97 115.26 111.21 1xfe n ASN 27 Ca -0.11 -0.92 -0.04 0.00 -0.02 0.00 0.00 54.58 53.49 1xfe n ASN 27 Cb 0.60 -0.71 -0.10 0.00 -2.36 0.00 0.00 39.78 37.21 1xfe n ASN 27 CO 0.00 0.00 0.00 -0.03 -1.03 0.00 0.00 177.26 176.20 1xfe h MET 28 N 0.00 0.00 -6.42 -3.83 1.85 -1.94 -3.47 114.93 101.12 1xfe h MET 28 Ca -0.29 0.00 -0.43 0.00 -0.61 0.00 0.00 59.70 58.37 1xfe h MET 28 Cb 0.89 0.00 0.01 0.00 0.43 0.00 0.00 31.60 32.94 1xfe h MET 28 CO 0.19 0.45 -0.27 0.00 -0.40 0.00 0.00 176.91 176.88 1xfe s ALA 29 N -2.77 4.49 0.35 0.39 0.00 -1.26 -5.07 121.76 117.89 1xfe s ALA 29 Ca -0.03 -1.70 -0.28 0.00 0.00 0.00 0.00 51.96 49.96 1xfe s ALA 29 Cb 0.08 -1.57 -0.10 0.00 0.00 0.00 0.00 23.12 21.54 1xfe s ALA 29 CO 0.81 -0.28 1.31 0.50 0.00 0.00 0.00 175.76 178.11 1xfe s ARG 30 N -4.33 4.24 -0.20 0.00 6.06 -1.26 -4.95 118.95 118.50 1xfe s ARG 30 Ca 0.54 2.21 0.13 0.00 -2.50 0.00 0.00 55.73 56.11 1xfe s ARG 30 Cb -0.09 -2.98 -0.21 0.00 0.06 0.00 0.00 34.95 31.73 1xfe s ARG 30 CO 0.33 -0.29 -0.01 -3.47 -2.50 0.00 0.00 175.30 169.36 1xfe n ASP 31 N 0.59 0.81 -3.50 -2.12 -0.08 -1.26 -5.05 116.55 105.94 1xfe n ASP 31 Ca 0.01 -0.04 -0.17 0.00 -1.51 0.00 0.00 54.79 53.09 1xfe n ASP 31 Cb 0.42 0.60 -0.07 0.00 2.34 0.00 0.00 41.12 44.40 1xfe n ASP 31 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1xfe h ARG 33 N 2.22 0.59 -0.00 0.00 2.47 -2.05 -2.57 114.38 115.04 1xfe h ARG 33 Ca -0.28 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.41 1xfe h ARG 33 Cb 1.24 -0.13 0.00 0.00 -1.65 0.00 0.00 29.97 29.42 1xfe h ARG 33 CO 0.40 0.39 -0.90 -0.25 0.56 0.00 0.00 179.97 180.17 1xfe n ASP 34 N -4.83 1.06 -1.11 7.04 9.92 -1.26 -5.05 116.55 122.32 1xfe n ASP 34 Ca 0.06 -1.03 0.00 0.00 -0.53 0.00 0.00 54.79 53.30 1xfe n ASP 34 Cb 0.15 0.94 0.00 0.00 -0.64 0.00 0.00 41.12 41.57 1xfe n ASP 34 CO 0.00 0.00 0.00 -2.67 0.13 0.00 0.00 177.20 174.66 1xfe n TRP 35 N -1.32 0.00 0.32 1.24 4.27 -0.97 -4.90 117.44 116.08 1xfe n TRP 35 Ca 0.04 0.00 0.03 0.00 -3.89 0.00 0.00 57.50 53.69 1xfe n TRP 35 Cb 0.33 -0.30 -0.04 0.00 -1.36 0.00 0.00 31.31 29.93 1xfe n TRP 35 CO 0.00 0.00 0.00 0.43 -2.29 0.00 0.00 177.69 175.83 1xfe n SER 36 N 1.45 0.44 0.00 -0.67 7.64 -1.26 -4.50 113.62 116.73 1xfe n SER 36 Ca 0.00 -0.64 0.10 0.00 1.01 0.00 0.00 58.87 59.34 1xfe n SER 36 Cb 0.07 1.01 0.50 0.00 -1.01 0.00 0.00 64.21 64.78 1xfe n SER 36 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1xfe n ASP 37 N -1.19 0.00 -3.81 6.43 5.75 -1.26 -4.03 116.55 118.45 1xfe n ASP 37 Ca 0.01 0.10 -0.38 0.00 -0.01 0.00 0.00 54.79 54.51 1xfe n ASP 37 Cb 0.11 -0.33 -0.01 0.00 -1.03 0.00 0.00 41.12 39.86 1xfe n ASP 37 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1xfe n GLU 38 N -1.33 3.99 -2.34 0.11 4.71 -1.26 -3.78 120.64 120.73 1xfe n GLU 38 Ca 0.09 -4.60 -0.39 0.00 -0.01 0.00 0.00 57.16 52.24 1xfe n GLU 38 Cb 0.18 -2.44 -0.03 0.00 -1.01 0.00 0.00 31.44 28.14 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 -2.81 3.00 0.33 3.49 0.04 -1.26 -4.87 135.00 132.93 1xfe s PRO 39 Ca 0.34 -0.06 0.09 0.00 0.04 0.00 0.00 61.00 61.41 1xfe s PRO 39 Cb 0.09 -4.44 0.82 0.00 0.04 0.00 0.00 34.50 31.01 1xfe s PRO 39 CO 0.06 -2.44 1.79 0.82 0.04 0.00 0.00 177.00 177.27 1xfe h ILE 40 N 6.49 0.70 0.00 0.56 2.04 -1.95 0.92 117.51 126.27 1xfe h ILE 40 Ca -0.19 -0.23 -0.18 0.00 1.00 0.00 0.00 64.86 65.25 1xfe h ILE 40 Cb 1.08 -0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 1xfe h ILE 40 CO 1.27 0.12 -0.86 0.07 0.00 0.00 0.00 178.15 178.76 1xfe h LYS 41 N 0.68 0.00 -0.02 2.37 5.09 -1.97 -3.22 116.57 119.50 1xfe h LYS 41 Ca 0.56 0.00 0.00 0.00 0.09 0.00 0.00 60.65 61.30 1xfe h LYS 41 Cb 0.98 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.31 1xfe h LYS 41 CO -0.33 0.86 -0.03 -1.91 -2.09 0.00 0.00 179.45 175.95 1xfe n GLU 42 N -3.39 1.88 -4.09 0.07 0.00 0.06 -4.55 120.64 110.62 1xfe n GLU 42 Ca 0.00 -1.35 -0.34 0.00 0.00 0.00 0.00 57.16 55.47 1xfe n GLU 42 Cb 0.86 -1.47 -0.10 0.00 0.00 0.00 0.00 31.44 30.73 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 3.40 0.21 3.56 0.00 0.00 -1.26 -4.89 105.19 106.21 1xfe n GLY 44 Ca -0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.43 3.65 -0.99 2.61 2.01 -1.26 -4.90 115.64 115.33 1xfe s THR 45 Ca 0.00 0.46 -0.19 0.00 0.31 0.00 0.00 61.69 62.27 1xfe s THR 45 Cb 0.00 -4.46 -0.10 0.00 0.01 0.00 0.00 72.50 67.95 1xfe s THR 45 CO 0.00 -1.32 2.03 -3.20 -0.69 0.00 0.00 174.62 171.43 1xfe n ASN 46 N 10.33 2.97 0.06 3.53 2.85 -1.26 -4.55 115.26 129.19 1xfe n ASN 46 Ca 0.11 -2.73 -0.06 0.00 -0.11 0.00 0.00 54.58 51.80 1xfe n ASN 46 Cb 0.50 -1.28 -0.11 0.00 1.24 0.00 0.00 39.78 40.13 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 7.28 0.00 0.00 1.20 5.08 -1.95 -3.21 114.58 122.98 1xfe h GLU 47 Ca 0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.83 1xfe h GLU 47 Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1xfe h GLU 47 CO 1.94 0.88 0.00 0.00 -1.00 0.00 0.00 179.01 180.82 1xfe n LEU 49 N -1.32 0.15 0.02 0.00 4.77 -1.26 0.19 117.00 119.55 1xfe n LEU 49 Ca 0.00 0.49 0.01 0.00 -0.03 0.00 0.00 56.01 56.48 1xfe n LEU 49 Cb 0.00 -0.49 0.06 0.00 -2.33 0.00 0.00 43.42 40.66 1xfe n LEU 49 CO 0.00 -0.54 0.54 -0.67 -1.33 0.00 0.00 177.39 175.39 1xfe n ASP 50 N -1.65 0.06 0.00 -1.43 2.03 -0.97 -4.68 116.55 109.90 1xfe n ASP 50 Ca -0.00 0.51 0.00 0.00 0.52 0.00 0.00 54.79 55.82 1xfe n ASP 50 Cb 0.12 -0.52 0.00 0.00 -0.72 0.00 0.00 41.12 40.00 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 -1.57 0.00 0.08 1.67 6.94 -0.93 -5.00 115.26 116.46 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 0.45 0.00 0.53 -1.07 -1.83 -3.43 115.58 110.22 1xfe h ASN 52 Ca 0.00 -0.56 -0.02 0.00 0.07 0.00 0.00 56.30 55.79 1xfe h ASN 52 Cb 0.00 -0.15 -0.02 0.00 -2.07 0.00 0.00 38.32 36.09 1xfe h ASN 52 CO 0.00 1.46 -0.03 0.61 0.07 0.00 0.00 177.43 179.53 1xfe n GLY 53 N 1.64 -0.13 3.90 9.14 0.00 -1.24 -4.75 105.19 113.74 1xfe n GLY 53 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 1.11 0.54 -0.02 0.00 0.51 -0.83 105.19 106.49 1xfe n GLY 54 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.77 -0.87 0.00 0.00 7.64 -1.09 -4.15 113.62 113.38 1xfe n SER 56 Ca 0.00 0.26 0.00 0.00 1.01 0.00 0.00 58.87 60.14 1xfe n SER 56 Cb 0.00 1.07 0.00 0.00 -1.01 0.00 0.00 64.21 64.27 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 -2.49 0.00 -3.75 1.43 8.25 -1.26 -3.72 115.22 113.68 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 -0.91 0.45 -0.13 1.59 -7.23 -1.22 -4.38 120.40 108.57 1xfe s VAL 58 Ca 0.00 -0.29 -0.01 0.00 -1.81 0.00 0.00 61.98 59.87 1xfe s VAL 58 Cb 0.00 -0.83 -0.02 0.00 0.56 0.00 0.00 36.38 36.09 1xfe s VAL 58 CO 0.00 -0.03 -0.08 0.00 -0.31 0.00 0.00 175.10 174.68 1xfe s ASN 60 N 0.10 6.32 -0.42 0.00 2.47 0.25 -4.58 114.94 119.08 1xfe s ASN 60 Ca -0.03 -0.15 -0.19 0.00 0.42 0.00 0.00 52.86 52.91 1xfe s ASN 60 Cb -0.14 -2.29 0.02 0.00 -1.45 0.00 0.00 41.25 37.39 1xfe s ASN 60 CO 0.03 -0.59 0.55 -0.62 -3.72 0.00 0.00 177.10 172.76 1xfe s ASP 61 N 1.84 6.27 0.46 -4.21 -1.08 -1.26 0.60 116.67 119.29 1xfe s ASP 61 Ca 0.20 -0.43 0.04 0.00 -0.52 0.00 0.00 52.55 51.85 1xfe s ASP 61 Cb -0.15 -2.28 0.01 0.00 -1.46 0.00 0.00 42.92 39.05 1xfe s ASP 61 CO 0.15 -0.67 0.65 -0.76 0.52 0.00 0.00 175.17 175.06 1xfe s LEU 62 N 2.52 3.55 0.49 -1.34 1.43 -0.83 -4.92 118.68 119.58 1xfe s LEU 62 Ca 0.18 -0.15 0.28 0.00 -1.03 0.00 0.00 54.13 53.41 1xfe s LEU 62 Cb -0.15 -2.81 1.14 0.00 0.03 0.00 0.00 46.19 44.40 1xfe s LEU 62 CO 0.16 -0.86 1.91 0.11 0.23 0.00 0.00 176.35 177.91 1xfe h LYS 63 N 0.43 0.00 -0.17 1.70 1.79 -1.95 -3.02 116.57 115.34 1xfe h LYS 63 Ca -0.42 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 57.97 1xfe h LYS 63 Cb 1.28 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.88 1xfe h LYS 63 CO 0.50 0.14 -0.25 1.51 -1.08 0.00 0.00 179.45 180.26 1xfe n ILE 64 N -3.31 2.34 0.00 1.86 3.06 -1.26 -3.13 119.36 118.92 1xfe n ILE 64 Ca 0.00 -2.89 0.00 0.00 -2.50 0.00 0.00 62.75 57.36 1xfe n ILE 64 Cb 0.36 -0.28 0.00 0.00 0.54 0.00 0.00 39.64 40.27 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 4.35 3.89 4.50 0.00 -1.14 -5.11 105.19 110.56 1xfe n GLY 65 Ca 0.25 -1.18 -0.35 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.92 3.58 0.28 1.61 -0.85 -1.26 -1.95 117.35 117.84 1xfe s TYR 66 Ca 0.00 0.51 0.08 0.00 -0.52 0.00 0.00 57.07 57.14 1xfe s TYR 66 Cb 0.00 -1.94 -0.06 0.00 0.38 0.00 0.00 41.96 40.34 1xfe s TYR 66 CO 0.00 0.66 -0.10 -1.83 -1.52 0.00 0.00 175.55 172.77 1xfe s GLU 67 N -1.55 1.59 -0.10 -3.49 1.03 0.20 -4.91 118.70 111.46 1xfe s GLU 67 Ca 0.23 -1.79 -0.09 0.00 0.03 0.00 0.00 54.97 53.35 1xfe s GLU 67 Cb -0.13 -1.34 -0.05 0.00 -0.80 0.00 0.00 34.13 31.82 1xfe s GLU 67 CO 0.13 0.12 0.21 0.00 -1.33 0.00 0.00 175.26 174.39 1xfe s LEU 69 N -0.90 2.59 -0.22 0.00 1.43 0.37 -4.82 118.68 117.14 1xfe s LEU 69 Ca 0.17 -1.04 -0.20 0.00 -1.03 0.00 0.00 54.13 52.03 1xfe s LEU 69 Cb -0.13 -1.04 0.06 0.00 0.03 0.00 0.00 46.19 45.10 1xfe s LEU 69 CO 0.06 -0.00 0.58 0.00 0.23 0.00 0.00 176.35 177.22 1xfe n PRO 71 N 2.87 -0.14 -1.60 0.00 -0.02 -1.26 -4.77 135.00 130.08 1xfe n PRO 71 Ca -0.14 -0.03 -0.40 0.00 -2.02 0.00 0.00 63.50 60.91 1xfe n PRO 71 Cb 0.56 -1.27 0.02 0.00 -0.02 0.00 0.00 33.50 32.80 1xfe n PRO 71 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1xfe n ASP 72 N 1.96 0.94 0.00 2.55 2.03 -1.26 -2.36 116.55 120.42 1xfe n ASP 72 Ca 0.01 0.96 0.00 0.00 0.52 0.00 0.00 54.79 56.28 1xfe n ASP 72 Cb 0.57 -1.34 0.00 0.00 -0.72 0.00 0.00 41.12 39.63 1xfe n ASP 72 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xfe n GLY 73 N 1.26 1.57 3.77 0.27 0.00 -1.26 -4.97 105.19 105.83 1xfe n GLY 73 Ca 0.10 -0.12 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.06 2.75 0.31 1.61 0.08 -0.99 -5.05 117.98 116.63 1xfe s PHE 74 Ca 0.00 1.53 0.09 0.00 0.12 0.00 0.00 56.93 58.67 1xfe s PHE 74 Cb 0.00 -3.38 -0.05 0.00 -0.57 0.00 0.00 43.02 39.02 1xfe s PHE 74 CO 0.00 -1.64 0.05 -1.14 -0.10 0.00 0.00 175.22 172.39 1xfe s GLN 75 N -2.93 2.26 -0.36 0.44 0.74 -1.26 -4.75 119.66 113.79 1xfe s GLN 75 Ca 0.68 -1.56 -0.10 0.00 0.05 0.00 0.00 55.36 54.43 1xfe s GLN 75 Cb -0.28 -2.10 0.03 0.00 1.10 0.00 0.00 33.01 31.76 1xfe s GLN 75 CO 0.33 0.21 0.18 -1.17 -0.55 0.00 0.00 175.29 174.28 1xfe s LEU 76 N -3.75 4.57 -0.03 3.68 2.96 -1.25 0.16 118.68 125.01 1xfe s LEU 76 Ca 0.35 -0.98 -0.09 0.00 -0.22 0.00 0.00 54.13 53.19 1xfe s LEU 76 Cb -0.03 -1.99 -0.05 0.00 0.50 0.00 0.00 46.19 44.62 1xfe s LEU 76 CO 0.21 -0.35 0.26 0.68 -1.32 0.00 0.00 176.35 175.83 1xfe s VAL 77 N 1.53 5.30 -0.49 1.68 -7.23 0.72 -4.23 120.40 117.67 1xfe s VAL 77 Ca 0.01 0.35 0.00 0.00 -1.81 0.00 0.00 61.98 60.53 1xfe s VAL 77 Cb -0.19 -3.55 0.00 0.00 0.56 0.00 0.00 36.38 33.20 1xfe s VAL 77 CO 0.06 0.49 0.00 0.00 -0.31 0.00 0.00 175.10 175.34 1xfe n ALA 78 N 1.55 -0.07 -1.09 1.32 0.00 -1.26 0.12 120.51 121.07 1xfe n ALA 78 Ca -0.15 0.08 -0.03 0.00 0.00 0.00 0.00 53.44 53.34 1xfe n ALA 78 Cb 0.53 -0.83 -0.01 0.00 0.00 0.00 0.00 19.45 19.14 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 -2.71 -1.35 0.00 0.00 6.02 -1.26 -4.49 117.38 113.59 1xfe n GLN 79 Ca -0.05 0.50 0.00 0.00 -0.01 0.00 0.00 57.00 57.45 1xfe n GLN 79 Cb 0.17 -4.59 0.00 0.00 1.02 0.00 0.00 30.24 26.84 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 -0.65 0.00 -2.13 -1.09 1.74 -1.17 -4.79 116.66 108.58 1xfe n ARG 80 Ca -0.03 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.76 1xfe n ARG 80 Cb 0.39 -0.06 0.03 0.00 -1.02 0.00 0.00 32.46 31.79 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 3.07 -0.42 5.56 3.00 0.32 -2.68 118.95 126.80 1xfe s ARG 81 Ca 0.00 0.33 -0.06 0.00 0.00 0.00 0.00 55.73 55.99 1xfe s ARG 81 Cb 0.00 -2.15 0.10 0.00 0.00 0.00 0.00 34.95 32.90 1xfe s ARG 81 CO 0.00 -0.76 0.25 0.00 0.00 0.00 0.00 175.30 174.79