#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 7.40 -0.11 1.61 2.47 -1.26 -5.05 114.94 120.00 1xfe s ASN 2 Ca 0.00 2.16 0.02 0.00 0.42 0.00 0.00 52.86 55.46 1xfe s ASN 2 Cb 0.00 -2.62 0.01 0.00 -1.45 0.00 0.00 41.25 37.19 1xfe s ASN 2 CO 0.00 -0.04 -0.17 0.68 -3.72 0.00 0.00 177.10 173.85 1xfe s VAL 3 N -1.17 1.61 0.51 -5.21 -7.23 -1.26 -5.12 120.40 102.53 1xfe s VAL 3 Ca 0.43 -0.72 -0.22 0.00 -1.81 0.00 0.00 61.98 59.66 1xfe s VAL 3 Cb -0.30 -1.45 -0.06 0.00 0.56 0.00 0.00 36.38 35.14 1xfe s VAL 3 CO 0.38 0.46 1.27 -0.89 -0.31 0.00 0.00 175.10 176.01 1xfe s THR 4 N 0.84 2.55 -0.31 5.32 2.01 -1.26 -4.94 115.64 119.84 1xfe s THR 4 Ca -0.09 0.41 0.08 0.00 0.31 0.00 0.00 61.69 62.39 1xfe s THR 4 Cb -0.15 -3.20 0.51 0.00 0.01 0.00 0.00 72.50 69.66 1xfe s THR 4 CO 0.00 -0.01 1.49 -0.11 -0.69 0.00 0.00 174.62 175.30 1xfe n LEU 5 N -0.81 4.41 -1.39 4.42 0.00 -1.26 -4.55 117.00 117.82 1xfe n LEU 5 Ca 0.09 -3.88 0.10 0.00 0.00 0.00 0.00 56.01 52.33 1xfe n LEU 5 Cb 0.46 -0.64 0.32 0.00 0.00 0.00 0.00 43.42 43.57 1xfe n LEU 5 CO 0.50 1.33 0.78 0.00 0.00 0.00 0.00 177.39 180.01 1xfe n GLU 7 N 1.31 0.40 0.00 0.00 0.00 -1.26 -4.77 120.64 116.31 1xfe n GLU 7 Ca 0.24 -3.02 0.00 0.00 0.00 0.00 0.00 57.16 54.38 1xfe n GLU 7 Cb 0.72 2.36 0.00 0.00 0.00 0.00 0.00 31.44 34.53 1xfe n GLU 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1xfe n GLY 8 N -0.57 0.29 3.81 -1.84 0.00 -1.26 -4.73 105.19 100.90 1xfe n GLY 8 Ca 0.05 -1.02 -0.30 0.00 0.00 0.00 0.00 46.02 44.76 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 0.00 1.87 -0.09 1.61 0.04 -1.26 -3.86 135.00 133.31 1xfe s PRO 9 Ca 0.00 0.47 0.00 0.00 0.04 0.00 0.00 61.00 61.51 1xfe s PRO 9 Cb 0.00 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.63 1xfe s PRO 9 CO 0.00 -1.74 0.00 0.27 0.04 0.00 0.00 177.00 175.57 1xfe n ASN 10 N -3.48 -0.99 -4.81 6.66 6.94 -1.26 -4.87 115.26 113.44 1xfe n ASN 10 Ca 0.07 0.37 -0.37 0.00 -0.02 0.00 0.00 54.58 54.62 1xfe n ASN 10 Cb 0.58 -1.07 -0.06 0.00 -2.36 0.00 0.00 39.78 36.87 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 -4.30 4.23 -0.23 -3.83 0.00 -1.25 -2.37 119.74 111.99 1xfe s LYS 11 Ca 0.00 0.80 -0.25 0.00 0.00 0.00 0.00 55.97 56.52 1xfe s LYS 11 Cb 0.00 -3.06 0.07 0.00 0.00 0.00 0.00 37.83 34.83 1xfe s LYS 11 CO 0.00 0.52 0.69 0.12 0.00 0.00 0.00 175.35 176.67 1xfe s PHE 12 N -1.32 -0.74 0.16 1.78 2.19 0.78 -4.12 117.98 116.71 1xfe s PHE 12 Ca 0.36 1.74 0.11 0.00 0.33 0.00 0.00 56.93 59.48 1xfe s PHE 12 Cb -0.18 0.28 -0.04 0.00 -1.31 0.00 0.00 43.02 41.76 1xfe s PHE 12 CO 0.21 -0.40 -0.24 -1.59 1.83 0.00 0.00 175.22 175.03 1xfe s LYS 13 N 0.14 1.50 0.35 10.12 0.00 -1.26 0.10 119.74 130.70 1xfe s LYS 13 Ca -0.02 -1.41 -0.01 0.00 0.00 0.00 0.00 55.97 54.53 1xfe s LYS 13 Cb -0.04 -1.90 -0.04 0.00 0.00 0.00 0.00 37.83 35.85 1xfe s LYS 13 CO 0.02 0.43 0.58 0.00 0.00 0.00 0.00 175.35 176.38 1xfe h HIS 15 N 0.81 0.30 0.00 0.00 2.76 -1.92 0.22 115.15 117.33 1xfe h HIS 15 Ca -0.49 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.69 1xfe h HIS 15 Cb 1.21 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 30.07 1xfe h HIS 15 CO 0.53 0.17 0.00 0.45 -1.30 0.00 0.00 177.93 177.78 1xfe n SER 16 N -4.48 0.00 0.00 3.26 2.88 -1.26 -4.85 113.62 109.17 1xfe n SER 16 Ca 0.04 0.12 0.00 0.00 -1.33 0.00 0.00 58.87 57.71 1xfe n SER 16 Cb 0.23 -0.35 0.00 0.00 -0.75 0.00 0.00 64.21 63.33 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 0.77 1.43 0.83 0.46 0.00 0.77 -5.10 105.19 104.35 1xfe n GLY 17 Ca 0.09 -0.12 -0.05 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.47 0.16 -3.52 1.61 -0.58 -1.21 -4.80 120.64 110.83 1xfe n GLU 18 Ca 0.00 -0.52 -0.18 0.00 -0.42 0.00 0.00 57.16 56.04 1xfe n GLU 18 Cb 0.04 -0.20 -0.13 0.00 -0.57 0.00 0.00 31.44 30.57 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 2.33 0.02 0.32 0.00 -4.36 0.28 -4.98 121.20 114.81 1xfe s ILE 20 Ca 0.06 -2.00 -0.27 0.00 -0.26 0.00 0.00 60.65 58.18 1xfe s ILE 20 Cb -0.15 -2.50 -0.09 0.00 1.25 0.00 0.00 42.46 40.97 1xfe s ILE 20 CO -0.11 0.00 1.00 -0.89 0.24 0.00 0.00 174.94 175.18 1xfe s THR 21 N -3.69 3.91 0.19 8.37 2.01 -1.26 -0.15 115.64 125.01 1xfe s THR 21 Ca 0.40 1.66 0.03 0.00 0.31 0.00 0.00 61.69 64.09 1xfe s THR 21 Cb 0.04 -3.96 -0.12 0.00 0.01 0.00 0.00 72.50 68.47 1xfe s THR 21 CO 0.22 0.20 1.43 0.17 -0.69 0.00 0.00 174.62 175.96 1xfe h LEU 22 N 3.27 0.25 -0.05 4.42 8.10 -1.62 -3.36 115.31 126.32 1xfe h LEU 22 Ca -0.47 -0.19 0.01 0.00 0.11 0.00 0.00 57.88 57.35 1xfe h LEU 22 Cb 1.20 -0.08 -0.03 0.00 -0.44 0.00 0.00 40.66 41.31 1xfe h LEU 22 CO 0.65 0.94 -0.30 0.44 -4.11 0.00 0.00 178.44 176.07 1xfe h ASP 23 N 0.13 -0.93 0.00 0.17 3.32 -1.92 0.11 116.42 117.29 1xfe h ASP 23 Ca -0.03 0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1xfe h ASP 23 Cb 1.38 0.36 0.00 0.00 0.22 0.00 0.00 39.33 41.29 1xfe h ASP 23 CO 0.12 -0.27 0.00 2.29 -1.72 0.00 0.00 179.24 179.66 1xfe n LYS 24 N -4.13 0.11 -1.73 3.56 -0.00 -1.26 -4.78 118.16 109.94 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 0.21 -1.01 -0.02 0.00 -0.00 0.00 0.00 35.03 34.20 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 0.45 -3.16 0.58 0.31 0.38 -1.95 118.33 114.68 1xfe n VAL 25 Ca 0.00 -0.11 -0.20 0.00 -0.01 0.00 0.00 64.34 64.01 1xfe n VAL 25 Cb 0.01 -1.96 0.05 0.00 -0.91 0.00 0.00 33.84 31.02 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 -2.22 -2.40 0.15 0.00 6.94 -0.82 -4.90 115.26 112.01 1xfe n ASN 27 Ca -0.05 -0.85 0.13 0.00 -0.02 0.00 0.00 54.58 53.79 1xfe n ASN 27 Cb 0.58 -0.71 0.46 0.00 -2.36 0.00 0.00 39.78 37.75 1xfe n ASN 27 CO 0.00 0.00 0.00 0.24 -1.03 0.00 0.00 177.26 176.47 1xfe h MET 28 N 0.00 0.00 -5.61 -3.83 2.86 -1.94 -3.45 114.93 102.96 1xfe h MET 28 Ca -0.29 0.00 -0.61 0.00 -2.06 0.00 0.00 59.70 56.74 1xfe h MET 28 Cb 0.90 0.00 -0.13 0.00 0.06 0.00 0.00 31.60 32.43 1xfe h MET 28 CO 0.18 0.00 -0.60 0.00 1.06 0.00 0.00 176.91 177.55 1xfe s ALA 29 N -3.28 3.09 0.11 6.32 0.00 -1.26 -5.13 121.76 121.61 1xfe s ALA 29 Ca 0.06 -2.27 -0.20 0.00 0.00 0.00 0.00 51.96 49.54 1xfe s ALA 29 Cb 0.10 0.22 -0.07 0.00 0.00 0.00 0.00 23.12 23.37 1xfe s ALA 29 CO 0.52 -0.14 0.63 -0.98 0.00 0.00 0.00 175.76 175.78 1xfe s ARG 30 N -3.73 4.28 0.00 0.00 1.70 -1.26 -4.91 118.95 115.02 1xfe s ARG 30 Ca 0.35 0.83 0.05 0.00 -0.47 0.00 0.00 55.73 56.49 1xfe s ARG 30 Cb 0.10 -3.20 -0.04 0.00 -0.57 0.00 0.00 34.95 31.25 1xfe s ARG 30 CO 0.18 0.60 0.27 -0.25 -1.08 0.00 0.00 175.30 175.01 1xfe n ASP 31 N 1.55 0.41 -4.46 -2.89 8.00 -1.26 -5.05 116.55 112.86 1xfe n ASP 31 Ca -0.08 -0.70 -0.22 0.00 0.71 0.00 0.00 54.79 54.49 1xfe n ASP 31 Cb 0.50 0.84 -0.11 0.00 -0.02 0.00 0.00 41.12 42.34 1xfe n ASP 31 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xfe h ARG 33 N 2.07 0.38 -0.00 0.00 9.65 -2.04 -3.27 114.38 121.17 1xfe h ARG 33 Ca -0.41 -0.62 0.00 0.00 -1.10 0.00 0.00 59.98 57.85 1xfe h ARG 33 Cb 1.25 0.23 0.00 0.00 -1.39 0.00 0.00 29.97 30.05 1xfe h ARG 33 CO 0.70 1.29 -0.11 -0.25 2.80 0.00 0.00 179.97 184.40 1xfe n ASP 34 N -4.02 0.22 -1.19 -3.80 8.00 -1.26 -4.91 116.55 109.59 1xfe n ASP 34 Ca -0.14 -0.07 -0.15 0.00 0.71 0.00 0.00 54.79 55.14 1xfe n ASP 34 Cb 0.89 -0.21 -0.06 0.00 -0.02 0.00 0.00 41.12 41.72 1xfe n ASP 34 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 1xfe n TRP 35 N -1.29 -0.05 0.26 1.24 7.02 -1.24 -4.86 117.44 118.52 1xfe n TRP 35 Ca 0.10 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.70 1xfe n TRP 35 Cb 0.30 -2.68 0.71 0.00 -2.42 0.00 0.00 31.31 27.22 1xfe n TRP 35 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 1xfe h SER 36 N 0.00 0.00 -0.04 -0.99 4.64 -1.90 -2.09 113.55 113.17 1xfe h SER 36 Ca -0.31 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.86 1xfe h SER 36 Cb 1.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.08 1xfe h SER 36 CO 0.45 0.11 -0.48 -0.78 -0.87 0.00 0.00 176.83 175.26 1xfe h ASP 37 N 0.00 0.64 -2.66 4.97 3.58 -1.94 -3.33 116.42 117.67 1xfe h ASP 37 Ca -0.00 -0.31 -0.74 0.00 0.42 0.00 0.00 57.03 56.39 1xfe h ASP 37 Cb 0.28 -0.18 -0.33 0.00 1.72 0.00 0.00 39.33 40.82 1xfe h ASP 37 CO 0.01 1.02 0.34 -0.62 -2.88 0.00 0.00 179.24 177.11 1xfe n GLU 38 N -4.00 3.87 -2.38 0.28 -0.58 -0.79 -3.57 120.64 113.49 1xfe n GLU 38 Ca -0.02 -4.60 -0.39 0.00 -0.42 0.00 0.00 57.16 51.72 1xfe n GLU 38 Cb 0.56 -2.43 -0.03 0.00 -0.57 0.00 0.00 31.44 28.98 1xfe n GLU 38 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1xfe s PRO 39 N -2.74 3.05 0.26 3.49 0.04 -1.25 -4.87 135.00 132.97 1xfe s PRO 39 Ca 0.34 -0.14 -0.02 0.00 0.04 0.00 0.00 61.00 61.23 1xfe s PRO 39 Cb 0.09 -4.46 0.53 0.00 0.04 0.00 0.00 34.50 30.70 1xfe s PRO 39 CO 0.07 -2.40 1.73 0.82 0.04 0.00 0.00 177.00 177.25 1xfe h ILE 40 N 6.46 0.65 0.00 0.56 2.04 -1.90 0.84 117.51 126.16 1xfe h ILE 40 Ca -0.18 -0.17 -0.05 0.00 1.00 0.00 0.00 64.86 65.46 1xfe h ILE 40 Cb 1.07 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 1xfe h ILE 40 CO 1.28 0.09 -0.23 0.11 0.00 0.00 0.00 178.15 179.40 1xfe h LYS 41 N 0.50 0.00 -0.03 2.37 1.57 -1.97 -2.37 116.57 116.64 1xfe h LYS 41 Ca 0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.24 1xfe h LYS 41 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.03 1xfe h LYS 41 CO -0.41 0.23 -0.05 0.39 -0.57 0.00 0.00 179.45 179.03 1xfe n GLU 42 N -4.15 2.15 -3.67 3.15 4.71 0.62 -4.62 120.64 118.84 1xfe n GLU 42 Ca -0.02 -1.80 -0.36 0.00 -0.01 0.00 0.00 57.16 54.97 1xfe n GLU 42 Cb 0.29 -1.45 -0.08 0.00 -1.01 0.00 0.00 31.44 29.19 1xfe n GLU 42 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1xfe n GLY 44 N 3.75 0.70 3.55 0.00 0.00 -1.26 -4.89 105.19 107.04 1xfe n GLY 44 Ca -0.15 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.70 3.89 -1.09 2.61 2.01 -1.26 -4.92 115.64 115.18 1xfe s THR 45 Ca 0.00 0.47 -0.19 0.00 0.31 0.00 0.00 61.69 62.28 1xfe s THR 45 Cb 0.00 -4.82 -0.06 0.00 0.01 0.00 0.00 72.50 67.62 1xfe s THR 45 CO 0.00 -1.64 2.02 -3.20 -0.69 0.00 0.00 174.62 171.11 1xfe n ASN 46 N 8.87 3.23 0.04 3.53 2.85 -1.26 -4.57 115.26 127.95 1xfe n ASN 46 Ca 0.04 -2.76 -0.09 0.00 -0.11 0.00 0.00 54.58 51.67 1xfe n ASN 46 Cb 0.49 -1.41 -0.13 0.00 1.24 0.00 0.00 39.78 39.97 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 7.34 0.04 0.00 1.20 5.08 -1.96 -3.23 114.58 123.05 1xfe h GLU 47 Ca 0.46 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.76 1xfe h GLU 47 Cb 0.70 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1xfe h GLU 47 CO 1.84 0.91 0.00 0.00 -1.00 0.00 0.00 179.01 180.75 1xfe n LEU 49 N -1.24 0.12 0.00 0.00 4.77 -1.26 0.17 117.00 119.57 1xfe n LEU 49 Ca 0.00 0.45 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 1xfe n LEU 49 Cb 0.00 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.64 1xfe n LEU 49 CO 0.00 -0.49 0.49 -0.67 -1.33 0.00 0.00 177.39 175.38 1xfe n ASP 50 N -1.59 0.00 0.00 -1.43 2.03 -0.99 -4.69 116.55 109.88 1xfe n ASP 50 Ca -0.00 0.46 0.00 0.00 0.52 0.00 0.00 54.79 55.77 1xfe n ASP 50 Cb 0.15 -0.46 0.00 0.00 -0.72 0.00 0.00 41.12 40.09 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 -1.46 0.00 0.09 1.67 6.94 -0.88 -5.00 115.26 116.62 1xfe n ASN 51 Ca 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 54.58 54.39 1xfe n ASN 51 Cb 0.01 0.00 -0.14 0.00 -2.36 0.00 0.00 39.78 37.29 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 0.46 0.00 0.53 -1.07 -1.83 -3.43 115.58 110.23 1xfe h ASN 52 Ca 0.00 -0.53 -0.01 0.00 0.07 0.00 0.00 56.30 55.83 1xfe h ASN 52 Cb 0.00 -0.15 -0.01 0.00 -2.07 0.00 0.00 38.32 36.09 1xfe h ASN 52 CO 0.00 1.42 -0.02 0.61 0.07 0.00 0.00 177.43 179.51 1xfe n GLY 53 N 1.60 -0.12 3.62 9.14 0.00 -1.25 -4.76 105.19 113.42 1xfe n GLY 53 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 1.24 0.69 -0.02 0.00 0.45 -0.85 105.19 106.70 1xfe n GLY 54 Ca -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.84 -1.43 -0.00 0.00 7.64 -1.12 -4.36 113.62 112.50 1xfe n SER 56 Ca 0.00 0.41 -0.01 0.00 1.01 0.00 0.00 58.87 60.28 1xfe n SER 56 Cb 0.00 1.57 -0.00 0.00 -1.01 0.00 0.00 64.21 64.77 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 -2.73 0.00 -3.74 1.43 8.25 -1.26 -3.82 115.22 113.34 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 -0.03 -0.17 0.00 1.12 0.00 0.00 29.99 30.90 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 -1.16 0.39 -0.13 1.59 -7.23 -1.25 -4.43 120.40 108.17 1xfe s VAL 58 Ca -0.02 -0.16 0.02 0.00 -1.81 0.00 0.00 61.98 60.01 1xfe s VAL 58 Cb 0.00 -0.72 -0.00 0.00 0.56 0.00 0.00 36.38 36.22 1xfe s VAL 58 CO 0.03 0.04 -0.18 0.00 -0.31 0.00 0.00 175.10 174.68 1xfe s ASN 60 N 0.57 6.38 -0.36 0.00 4.22 -0.26 -4.46 114.94 121.02 1xfe s ASN 60 Ca -0.11 0.35 -0.19 0.00 -2.14 0.00 0.00 52.86 50.77 1xfe s ASN 60 Cb -0.16 -2.27 0.00 0.00 1.28 0.00 0.00 41.25 40.10 1xfe s ASN 60 CO 0.04 -0.33 0.57 -0.62 -2.04 0.00 0.00 177.10 174.72 1xfe s ASP 61 N 1.62 6.36 0.44 3.54 -1.08 -1.26 -1.09 116.67 125.20 1xfe s ASP 61 Ca 0.20 -0.00 0.01 0.00 -0.52 0.00 0.00 52.55 52.24 1xfe s ASP 61 Cb -0.16 -2.29 -0.00 0.00 -1.46 0.00 0.00 42.92 39.01 1xfe s ASP 61 CO 0.10 -0.55 0.66 -0.76 0.52 0.00 0.00 175.17 175.14 1xfe s LEU 62 N 2.54 3.66 0.50 -1.34 1.43 -0.76 -4.92 118.68 119.79 1xfe s LEU 62 Ca 0.21 0.22 0.29 0.00 -1.03 0.00 0.00 54.13 53.82 1xfe s LEU 62 Cb -0.15 -3.10 1.20 0.00 0.03 0.00 0.00 46.19 44.16 1xfe s LEU 62 CO 0.14 -0.70 1.93 0.11 0.23 0.00 0.00 176.35 178.06 1xfe h LYS 63 N 0.43 0.00 -0.04 1.70 1.79 -1.95 -2.99 116.57 115.51 1xfe h LYS 63 Ca -0.46 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 57.99 1xfe h LYS 63 Cb 1.26 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.89 1xfe h LYS 63 CO 0.56 0.10 -0.38 1.51 -1.08 0.00 0.00 179.45 180.17 1xfe n ILE 64 N -3.26 2.20 0.00 1.86 0.13 -1.25 -2.97 119.36 116.07 1xfe n ILE 64 Ca 0.00 -3.04 0.00 0.00 -1.10 0.00 0.00 62.75 58.61 1xfe n ILE 64 Cb 0.35 -0.25 0.00 0.00 -0.84 0.00 0.00 39.64 38.90 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 4.45 3.83 4.50 0.00 -1.13 -5.09 105.19 110.58 1xfe n GLY 65 Ca 0.20 -1.11 -0.35 0.00 0.00 0.00 0.00 46.02 44.76 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 -0.86 3.43 0.31 1.61 -0.85 -1.26 -1.83 117.35 117.90 1xfe s TYR 66 Ca 0.00 0.35 0.06 0.00 -0.52 0.00 0.00 57.07 56.96 1xfe s TYR 66 Cb 0.00 -1.83 -0.06 0.00 0.38 0.00 0.00 41.96 40.44 1xfe s TYR 66 CO 0.00 0.62 -0.02 -1.83 -1.52 0.00 0.00 175.55 172.80 1xfe s GLU 67 N -1.41 1.64 -0.11 -3.49 1.03 -0.25 -4.91 118.70 111.19 1xfe s GLU 67 Ca 0.20 -1.87 -0.10 0.00 0.03 0.00 0.00 54.97 53.23 1xfe s GLU 67 Cb -0.12 -1.15 -0.05 0.00 -0.80 0.00 0.00 34.13 32.01 1xfe s GLU 67 CO 0.10 -0.03 0.21 0.00 -1.33 0.00 0.00 175.26 174.20 1xfe s LEU 69 N -0.66 3.17 -0.28 0.00 1.43 0.22 -4.88 118.68 117.68 1xfe s LEU 69 Ca 0.16 -1.00 -0.22 0.00 -1.03 0.00 0.00 54.13 52.03 1xfe s LEU 69 Cb -0.13 -1.58 0.13 0.00 0.03 0.00 0.00 46.19 44.64 1xfe s LEU 69 CO 0.05 -0.58 1.01 0.00 0.23 0.00 0.00 176.35 177.06 1xfe n PRO 71 N 2.71 -0.29 -1.48 0.00 -0.04 -1.26 -4.78 135.00 129.85 1xfe n PRO 71 Ca -0.14 -0.07 -0.36 0.00 -0.04 0.00 0.00 63.50 62.88 1xfe n PRO 71 Cb 0.56 -1.27 0.09 0.00 -0.04 0.00 0.00 33.50 32.84 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 1.79 1.60 -1.31 3.54 9.92 -1.26 -2.70 116.55 128.12 1xfe n ASP 72 Ca 0.00 0.73 -0.17 0.00 -0.53 0.00 0.00 54.79 54.83 1xfe n ASP 72 Cb 0.62 -1.53 -0.07 0.00 -0.64 0.00 0.00 41.12 39.50 1xfe n ASP 72 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1xfe n GLY 73 N 0.80 1.62 3.32 0.44 0.00 -1.26 -4.99 105.19 105.13 1xfe n GLY 73 Ca 0.15 -0.22 -0.31 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 -2.63 2.40 -0.34 1.61 0.08 -1.10 -5.05 117.98 112.95 1xfe s PHE 74 Ca 0.00 -0.45 -0.07 0.00 0.12 0.00 0.00 56.93 56.53 1xfe s PHE 74 Cb 0.00 -1.54 0.03 0.00 -0.57 0.00 0.00 43.02 40.95 1xfe s PHE 74 CO 0.00 -0.04 0.11 -1.14 -0.10 0.00 0.00 175.22 174.05 1xfe s GLN 75 N -0.54 2.70 -0.22 0.44 2.00 -1.26 -4.87 119.66 117.90 1xfe s GLN 75 Ca 0.08 -1.13 -0.29 0.00 -2.00 0.00 0.00 55.36 52.02 1xfe s GLN 75 Cb -0.11 -3.48 -0.03 0.00 0.80 0.00 0.00 33.01 30.19 1xfe s GLN 75 CO 0.00 -0.64 1.75 -1.17 -0.50 0.00 0.00 175.29 174.73 1xfe s LEU 76 N 1.43 3.80 -0.00 3.68 2.96 -1.25 -1.51 118.68 127.79 1xfe s LEU 76 Ca -0.01 1.66 -0.12 0.00 -0.22 0.00 0.00 54.13 55.44 1xfe s LEU 76 Cb -0.19 -3.53 -0.05 0.00 0.50 0.00 0.00 46.19 42.92 1xfe s LEU 76 CO 0.03 -1.42 0.35 -0.69 -1.32 0.00 0.00 176.35 173.31 1xfe s VAL 77 N 5.84 5.14 -0.39 1.68 1.01 0.87 -4.16 120.40 130.39 1xfe s VAL 77 Ca 0.78 0.61 0.00 0.00 0.00 0.00 0.00 61.98 63.37 1xfe s VAL 77 Cb -0.27 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.48 1xfe s VAL 77 CO 0.32 0.51 0.00 0.00 0.00 0.00 0.00 175.10 175.93 1xfe n ALA 78 N 1.61 -0.06 -1.22 5.51 0.00 -1.26 0.12 120.51 125.21 1xfe n ALA 78 Ca -0.14 0.06 -0.08 0.00 0.00 0.00 0.00 53.44 53.29 1xfe n ALA 78 Cb 0.53 -0.74 -0.03 0.00 0.00 0.00 0.00 19.45 19.21 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 -2.65 -1.28 0.00 0.00 6.02 -1.26 -4.51 117.38 113.70 1xfe n GLN 79 Ca -0.04 0.70 0.00 0.00 -0.01 0.00 0.00 57.00 57.66 1xfe n GLN 79 Cb 0.15 -4.84 0.00 0.00 1.02 0.00 0.00 30.24 26.57 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 -1.29 0.00 -2.71 -1.09 1.74 -1.18 -4.78 116.66 107.36 1xfe n ARG 80 Ca -0.08 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.69 1xfe n ARG 80 Cb 0.44 -0.03 -0.04 0.00 -1.02 0.00 0.00 32.46 31.80 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 3.93 0.03 5.56 6.06 0.33 -2.78 118.95 131.08 1xfe s ARG 81 Ca 0.00 0.77 0.02 0.00 -2.50 0.00 0.00 55.73 54.02 1xfe s ARG 81 Cb 0.00 -2.27 -0.04 0.00 0.06 0.00 0.00 34.95 32.70 1xfe s ARG 81 CO 0.00 -0.10 0.04 0.00 -2.50 0.00 0.00 175.30 172.74