#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fo5 s SER 1 N 0.00 5.11 0.17 7.83 0.01 -1.26 -4.82 113.70 120.74 1fo5 s SER 1 Ca 0.00 -1.58 -0.13 0.00 1.31 0.00 0.00 55.95 55.55 1fo5 s SER 1 Cb 0.00 -2.59 0.01 0.00 0.21 0.00 0.00 66.02 63.65 1fo5 s SER 1 CO 0.00 -2.97 0.38 -1.59 0.41 0.00 0.00 173.24 169.47 1fo5 s LYS 2 N 6.44 1.22 -0.57 12.44 -2.85 -1.26 -5.08 119.74 130.08 1fo5 s LYS 2 Ca 0.68 -1.02 -0.28 0.00 -1.00 0.00 0.00 55.97 54.35 1fo5 s LYS 2 Cb -0.01 0.44 0.02 0.00 -2.06 0.00 0.00 37.83 36.21 1fo5 s LYS 2 CO 0.11 -0.48 1.39 0.08 0.10 0.00 0.00 175.35 176.55 1fo5 s VAL 3 N -3.92 3.81 -0.37 1.79 1.01 0.33 -4.94 120.40 118.12 1fo5 s VAL 3 Ca 0.13 0.69 -0.21 0.00 0.00 0.00 0.00 61.98 62.58 1fo5 s VAL 3 Cb 0.02 -4.49 0.01 0.00 0.00 0.00 0.00 36.38 31.92 1fo5 s VAL 3 CO -0.02 -1.21 0.68 -0.54 0.00 0.00 0.00 175.10 174.01 1fo5 s LYS 4 N 5.46 3.65 -0.01 2.72 -0.14 -0.48 -1.08 119.74 129.86 1fo5 s LYS 4 Ca 0.51 0.07 0.06 0.00 -1.36 0.00 0.00 55.97 55.24 1fo5 s LYS 4 Cb -0.10 -3.83 -0.01 0.00 -1.68 0.00 0.00 37.83 32.20 1fo5 s LYS 4 CO 0.25 -0.81 -0.18 0.42 -0.76 0.00 0.00 175.35 174.27 1fo5 s ILE 5 N 2.85 1.42 -0.01 2.17 1.01 0.43 -1.63 121.20 127.43 1fo5 s ILE 5 Ca 0.26 -0.80 0.01 0.00 0.00 0.00 0.00 60.65 60.13 1fo5 s ILE 5 Cb -0.14 -1.18 0.00 0.00 0.01 0.00 0.00 42.46 41.15 1fo5 s ILE 5 CO 0.16 0.38 -0.03 -1.61 0.00 0.00 0.00 174.94 173.83 1fo5 s GLU 6 N -0.49 0.32 -0.52 2.79 2.02 -0.57 -1.32 118.70 120.94 1fo5 s GLU 6 Ca 0.07 -0.11 0.03 0.00 0.02 0.00 0.00 54.97 54.98 1fo5 s GLU 6 Cb -0.07 -0.33 0.13 0.00 0.10 0.00 0.00 34.13 33.96 1fo5 s GLU 6 CO -0.00 0.06 0.26 -1.17 0.02 0.00 0.00 175.26 174.42 1fo5 s LEU 7 N 0.05 4.41 -0.98 1.80 1.98 0.32 -0.87 118.68 125.38 1fo5 s LEU 7 Ca -0.00 -2.95 -0.04 0.00 -2.89 0.00 0.00 54.13 48.25 1fo5 s LEU 7 Cb -0.03 -1.66 0.26 0.00 0.66 0.00 0.00 46.19 45.43 1fo5 s LEU 7 CO -0.00 -0.25 1.06 0.33 -1.89 0.00 0.00 176.35 175.60 1fo5 n PHE 8 N 3.20 3.97 -3.95 5.38 7.35 -0.32 -1.64 117.46 131.45 1fo5 n PHE 8 Ca 0.05 -3.67 -0.09 0.00 -0.76 0.00 0.00 57.45 52.97 1fo5 n PHE 8 Cb 0.33 -1.27 -0.07 0.00 0.35 0.00 0.00 39.48 38.82 1fo5 n PHE 8 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1fo5 s THR 9 N -1.85 0.07 -0.50 -2.13 2.01 -1.25 -1.49 115.64 110.50 1fo5 s THR 9 Ca 0.31 -1.38 0.03 0.00 0.31 0.00 0.00 61.69 60.97 1fo5 s THR 9 Cb -0.02 -1.80 0.15 0.00 0.01 0.00 0.00 72.50 70.84 1fo5 s THR 9 CO -0.04 -0.33 0.33 -0.55 -0.69 0.00 0.00 174.62 173.34 1fo5 s SER 10 N -2.96 3.46 -0.18 3.53 0.15 -1.26 -1.75 113.70 114.68 1fo5 s SER 10 Ca 0.16 -3.05 -0.29 0.00 0.70 0.00 0.00 55.95 53.47 1fo5 s SER 10 Cb 0.03 -1.06 -0.04 0.00 -1.71 0.00 0.00 66.02 63.24 1fo5 s SER 10 CO -0.01 -0.20 1.87 -2.16 1.20 0.00 0.00 173.24 173.94 1fo5 s PRO 11 N -0.20 3.62 0.10 5.44 0.04 -1.26 -4.76 135.00 137.98 1fo5 s PRO 11 Ca 0.23 1.91 0.00 0.00 0.04 0.00 0.00 61.00 63.18 1fo5 s PRO 11 Cb -0.13 -4.17 0.00 0.00 0.04 0.00 0.00 34.50 30.24 1fo5 s PRO 11 CO -0.09 -1.52 0.00 -0.12 0.04 0.00 0.00 177.00 175.31 1fo5 n MET 12 N 8.03 0.00 0.27 4.56 1.56 -1.26 -4.09 117.12 126.19 1fo5 n MET 12 Ca 0.22 0.00 -0.17 0.00 -0.27 0.00 0.00 57.70 57.49 1fo5 n MET 12 Cb 0.45 -0.44 -0.09 0.00 2.15 0.00 0.00 33.22 35.29 1fo5 n MET 12 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1fo5 n PRO 14 N -5.51 0.19 -0.82 0.00 -0.04 -1.26 -4.94 135.00 122.61 1fo5 n PRO 14 Ca -0.11 0.15 -0.04 0.00 -0.04 0.00 0.00 63.50 63.46 1fo5 n PRO 14 Cb 0.41 -1.72 -0.02 0.00 -0.04 0.00 0.00 33.50 32.14 1fo5 n PRO 14 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1fo5 n HIS 15 N -2.05 -0.36 -1.31 0.54 -0.00 -0.89 -4.91 115.22 106.24 1fo5 n HIS 15 Ca 0.06 0.00 -0.33 0.00 0.46 0.00 0.00 57.72 57.91 1fo5 n HIS 15 Cb 0.41 -1.49 0.10 0.00 -0.12 0.00 0.00 29.99 28.88 1fo5 n HIS 15 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1fo5 n PRO 17 N -3.14 2.42 0.00 0.00 -0.04 -1.26 -4.83 135.00 128.15 1fo5 n PRO 17 Ca 0.11 -1.79 0.00 0.00 -0.04 0.00 0.00 63.50 61.79 1fo5 n PRO 17 Cb 0.52 -2.68 0.00 0.00 -0.04 0.00 0.00 33.50 31.30 1fo5 n PRO 17 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1fo5 n ALA 18 N 4.75 -0.13 0.29 0.55 0.00 -1.26 -0.84 120.51 123.87 1fo5 n ALA 18 Ca 0.54 0.00 0.16 0.00 0.00 0.00 0.00 53.44 54.14 1fo5 n ALA 18 Cb 0.22 0.18 0.90 0.00 0.00 0.00 0.00 19.45 20.75 1fo5 n ALA 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fo5 h ALA 19 N -1.75 1.23 0.18 0.00 0.00 -1.95 -1.35 119.26 115.62 1fo5 h ALA 19 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1fo5 h ALA 19 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1fo5 h ALA 19 CO 0.00 0.06 -0.09 0.87 0.00 0.00 0.00 179.25 180.09 1fo5 h LYS 20 N 0.00 -0.23 -0.32 0.00 6.56 -1.84 0.47 116.57 121.22 1fo5 h LYS 20 Ca -0.00 0.02 -0.08 0.00 -1.06 0.00 0.00 60.65 59.53 1fo5 h LYS 20 Cb 0.19 0.05 -0.02 0.00 -0.57 0.00 0.00 32.23 31.89 1fo5 h LYS 20 CO 0.01 0.18 -0.13 0.00 -2.06 0.00 0.00 179.45 177.45 1fo5 h ARG 21 N -0.82 0.55 -0.05 3.15 3.08 -0.84 -0.56 114.38 118.89 1fo5 h ARG 21 Ca -0.02 -0.17 0.01 0.00 0.07 0.00 0.00 59.98 59.87 1fo5 h ARG 21 Cb 0.52 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 1fo5 h ARG 21 CO 0.04 0.67 -0.03 0.28 -1.07 0.00 0.00 179.97 179.86 1fo5 h VAL 22 N 0.50 0.90 -0.18 2.04 2.07 -1.24 -0.09 116.25 120.26 1fo5 h VAL 22 Ca 0.09 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.52 1fo5 h VAL 22 Cb 0.52 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1fo5 h VAL 22 CO 0.03 0.00 -0.29 1.62 0.02 0.00 0.00 177.57 178.96 1fo5 h VAL 23 N -0.03 1.27 -0.21 2.57 3.04 -0.48 -1.85 116.25 120.55 1fo5 h VAL 23 Ca 0.03 -1.27 -0.02 0.00 -1.01 0.00 0.00 66.70 64.43 1fo5 h VAL 23 Cb 0.08 1.45 -0.01 0.00 -2.01 0.00 0.00 31.29 30.80 1fo5 h VAL 23 CO -0.07 0.39 0.05 -0.08 -1.01 0.00 0.00 177.57 176.85 1fo5 h GLU 24 N 0.30 0.34 -0.13 4.17 4.81 -0.95 0.18 114.58 123.31 1fo5 h GLU 24 Ca 0.04 -0.08 0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1fo5 h GLU 24 Cb 0.67 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 1fo5 h GLU 24 CO 0.05 0.46 -0.00 1.49 -0.73 0.00 0.00 179.01 180.28 1fo5 h GLU 25 N 0.16 0.04 0.00 1.92 4.57 -0.70 -1.62 114.58 118.96 1fo5 h GLU 25 Ca 0.07 -0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.14 1fo5 h GLU 25 Cb 0.27 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.83 1fo5 h GLU 25 CO 0.00 0.03 -0.52 -0.39 -1.18 0.00 0.00 179.01 176.95 1fo5 h VAL 26 N 0.04 0.90 0.00 0.32 -1.51 -1.34 -3.15 116.25 111.51 1fo5 h VAL 26 Ca 0.06 -2.26 -0.03 0.00 -1.23 0.00 0.00 66.70 63.24 1fo5 h VAL 26 Cb 0.07 2.44 -0.00 0.00 -2.13 0.00 0.00 31.29 31.67 1fo5 h VAL 26 CO -0.10 0.51 -0.14 0.00 -1.23 0.00 0.00 177.57 176.60 1fo5 h ALA 27 N 1.48 1.31 0.00 5.19 0.00 -0.28 0.13 119.26 127.09 1fo5 h ALA 27 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1fo5 h ALA 27 Cb 1.39 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1fo5 h ALA 27 CO 0.07 0.18 0.02 -1.71 0.00 0.00 0.00 179.25 177.81 1fo5 n ASN 28 N -3.70 0.43 0.04 0.00 5.15 -0.64 -3.33 115.26 113.21 1fo5 n ASN 28 Ca -0.02 0.69 0.00 0.00 -0.60 0.00 0.00 54.58 54.65 1fo5 n ASN 28 Cb 0.26 -0.74 0.00 0.00 -0.53 0.00 0.00 39.78 38.77 1fo5 n ASN 28 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1fo5 n GLU 29 N -2.09 0.00 -3.92 1.20 -0.58 -0.09 -4.94 120.64 110.23 1fo5 n GLU 29 Ca -0.01 0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 56.42 1fo5 n GLU 29 Cb 0.05 -0.46 -0.13 0.00 -0.57 0.00 0.00 31.44 30.32 1fo5 n GLU 29 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 1fo5 s MET 30 N -2.00 2.05 0.00 3.49 -1.94 0.28 -5.01 119.30 116.17 1fo5 s MET 30 Ca 0.00 -2.60 0.00 0.00 -1.71 0.00 0.00 55.69 51.38 1fo5 s MET 30 Cb 0.00 -3.38 0.00 0.00 2.01 0.00 0.00 34.83 33.46 1fo5 s MET 30 CO 0.00 -1.11 0.46 -0.35 -0.01 0.00 0.00 175.02 174.00 1fo5 n PRO 31 N 3.19 0.55 0.00 2.03 -0.04 -1.21 -3.42 135.00 136.09 1fo5 n PRO 31 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 1fo5 n PRO 31 Cb 0.33 -1.09 0.00 0.00 -0.04 0.00 0.00 33.50 32.70 1fo5 n PRO 31 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1fo5 n ASP 32 N -0.26 0.00 0.00 3.54 2.03 -1.26 -4.86 116.55 115.74 1fo5 n ASP 32 Ca 0.00 0.00 0.03 0.00 0.52 0.00 0.00 54.79 55.34 1fo5 n ASP 32 Cb 0.04 0.00 0.15 0.00 -0.72 0.00 0.00 41.12 40.60 1fo5 n ASP 32 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1fo5 n ALA 33 N -0.04 1.36 -1.80 -1.67 0.00 -1.26 -4.75 120.51 112.36 1fo5 n ALA 33 Ca 0.00 -0.03 -0.41 0.00 0.00 0.00 0.00 53.44 53.00 1fo5 n ALA 33 Cb 0.00 -1.11 -0.01 0.00 0.00 0.00 0.00 19.45 18.32 1fo5 n ALA 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1fo5 s VAL 34 N -2.91 2.32 -0.31 0.00 0.11 -1.22 -0.51 120.40 117.88 1fo5 s VAL 34 Ca 0.04 0.30 -0.02 0.00 -2.93 0.00 0.00 61.98 59.37 1fo5 s VAL 34 Cb 0.05 -3.19 0.11 0.00 -1.53 0.00 0.00 36.38 31.81 1fo5 s VAL 34 CO 0.12 0.06 0.13 -0.70 -3.33 0.00 0.00 175.10 171.38 1fo5 s GLU 35 N -1.27 0.46 -0.53 1.54 2.56 -0.24 -4.88 118.70 116.34 1fo5 s GLU 35 Ca 0.56 -0.86 -0.13 0.00 0.00 0.00 0.00 54.97 54.53 1fo5 s GLU 35 Cb -0.44 -1.52 0.13 0.00 2.00 0.00 0.00 34.13 34.30 1fo5 s GLU 35 CO 0.53 -1.03 0.46 0.08 -0.56 0.00 0.00 175.26 174.74 1fo5 s VAL 36 N 1.76 4.88 -0.26 3.70 1.01 -1.26 -0.43 120.40 129.79 1fo5 s VAL 36 Ca 0.11 -1.66 -0.29 0.00 0.00 0.00 0.00 61.98 60.14 1fo5 s VAL 36 Cb -0.17 -4.15 0.01 0.00 0.00 0.00 0.00 36.38 32.06 1fo5 s VAL 36 CO -0.28 -0.85 1.13 -1.61 0.00 0.00 0.00 175.10 173.49 1fo5 s GLU 37 N 1.43 4.13 -0.28 2.72 2.02 -0.43 -4.96 118.70 123.33 1fo5 s GLU 37 Ca 0.05 1.28 -0.20 0.00 0.02 0.00 0.00 54.97 56.12 1fo5 s GLU 37 Cb -0.28 -3.73 -0.02 0.00 0.10 0.00 0.00 34.13 30.21 1fo5 s GLU 37 CO 0.01 -0.82 0.61 -0.47 0.02 0.00 0.00 175.26 174.62 1fo5 s TYR 38 N 3.59 3.25 -0.49 1.61 5.04 -1.26 -0.52 117.35 128.57 1fo5 s TYR 38 Ca 0.48 0.68 0.03 0.00 -2.44 0.00 0.00 57.07 55.82 1fo5 s TYR 38 Cb -0.15 -2.89 0.15 0.00 0.35 0.00 0.00 41.96 39.42 1fo5 s TYR 38 CO 0.13 -0.39 0.33 0.96 -1.34 0.00 0.00 175.55 175.24 1fo5 s ILE 39 N 2.53 1.37 0.02 3.14 -0.00 -0.65 -4.96 121.20 122.65 1fo5 s ILE 39 Ca 0.25 -2.95 -0.30 0.00 -0.00 0.00 0.00 60.65 57.65 1fo5 s ILE 39 Cb -0.15 -1.94 -0.09 0.00 -0.00 0.00 0.00 42.46 40.28 1fo5 s ILE 39 CO 0.10 -1.03 1.97 0.54 -0.00 0.00 0.00 174.94 176.52 1fo5 s ASN 40 N -0.13 6.41 -0.27 4.36 4.22 -1.26 -3.96 114.94 124.31 1fo5 s ASN 40 Ca 0.24 2.62 -0.28 0.00 -2.14 0.00 0.00 52.86 53.30 1fo5 s ASN 40 Cb -0.11 -2.53 -0.03 0.00 1.28 0.00 0.00 41.25 39.86 1fo5 s ASN 40 CO -0.10 -1.10 1.97 -0.69 -2.04 0.00 0.00 177.10 175.14 1fo5 s VAL 41 N 4.64 3.28 0.19 3.54 1.01 -0.72 -4.57 120.40 127.77 1fo5 s VAL 41 Ca 0.89 0.29 0.00 0.00 0.00 0.00 0.00 61.98 63.16 1fo5 s VAL 41 Cb -0.42 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 32.59 1fo5 s VAL 41 CO 0.41 -0.23 0.00 0.23 0.00 0.00 0.00 175.10 175.51 1fo5 n MET 42 N 8.50 0.00 0.15 2.72 2.81 -1.26 -4.55 117.12 125.49 1fo5 n MET 42 Ca 0.25 0.00 0.13 0.00 -1.81 0.00 0.00 57.70 56.28 1fo5 n MET 42 Cb 0.46 0.00 0.45 0.00 -0.71 0.00 0.00 33.22 33.41 1fo5 n MET 42 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 1fo5 h GLU 43 N 0.00 0.00 -7.02 0.03 4.81 -1.99 -3.48 114.58 106.93 1fo5 h GLU 43 Ca 0.00 0.00 -0.49 0.00 -0.13 0.00 0.00 59.36 58.74 1fo5 h GLU 43 Cb 0.00 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.34 1fo5 h GLU 43 CO 0.00 0.00 -0.81 -1.71 -0.73 0.00 0.00 179.01 175.76 1fo5 n ASN 44 N -2.46 -2.75 -4.77 1.04 5.15 -1.26 -4.89 115.26 105.32 1fo5 n ASN 44 Ca 0.03 -1.05 -0.38 0.00 -0.60 0.00 0.00 54.58 52.59 1fo5 n ASN 44 Cb 0.35 -1.26 -0.01 0.00 -0.53 0.00 0.00 39.78 38.33 1fo5 n ASN 44 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1fo5 s PRO 45 N -6.96 3.83 0.56 1.20 0.04 -1.26 -4.90 135.00 127.52 1fo5 s PRO 45 Ca 0.35 1.84 0.33 0.00 0.04 0.00 0.00 61.00 63.55 1fo5 s PRO 45 Cb -0.19 -2.50 1.80 0.00 0.04 0.00 0.00 34.50 33.64 1fo5 s PRO 45 CO 0.79 -0.51 2.00 1.96 0.04 0.00 0.00 177.00 181.28 1fo5 h GLN 46 N 2.23 0.00 -0.99 4.56 1.08 -1.92 -2.59 115.11 117.48 1fo5 h GLN 46 Ca -0.49 0.00 0.16 0.00 -1.45 0.00 0.00 58.65 56.86 1fo5 h GLN 46 Cb 1.25 0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 28.58 1fo5 h GLN 46 CO 0.61 0.00 0.62 1.57 -0.95 0.00 0.00 178.83 180.68 1fo5 h LYS 47 N 0.00 0.81 0.10 1.46 5.09 -2.01 0.21 116.57 122.24 1fo5 h LYS 47 Ca 0.00 -0.05 -0.36 0.00 0.09 0.00 0.00 60.65 60.33 1fo5 h LYS 47 Cb 0.23 -0.18 -0.02 0.00 0.10 0.00 0.00 32.23 32.36 1fo5 h LYS 47 CO 0.00 0.54 -2.03 0.00 -2.09 0.00 0.00 179.45 175.87 1fo5 n ALA 48 N -2.36 0.95 0.31 0.07 0.00 -1.10 -4.56 120.51 113.82 1fo5 n ALA 48 Ca 0.21 -0.65 0.03 0.00 0.00 0.00 0.00 53.44 53.03 1fo5 n ALA 48 Cb 0.48 -0.60 0.17 0.00 0.00 0.00 0.00 19.45 19.50 1fo5 n ALA 48 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1fo5 n MET 49 N -3.51 0.09 0.27 0.00 2.81 -0.85 -0.92 117.12 115.01 1fo5 n MET 49 Ca -0.34 0.23 0.14 0.00 -1.81 0.00 0.00 57.70 55.92 1fo5 n MET 49 Cb 1.02 -1.50 0.78 0.00 -0.71 0.00 0.00 33.22 32.81 1fo5 n MET 49 CO 0.00 0.00 0.00 1.05 1.51 0.00 0.00 175.97 178.53 1fo5 h GLU 50 N 0.00 0.00 -7.27 0.03 4.11 -0.84 -3.45 114.58 107.16 1fo5 h GLU 50 Ca 0.00 0.00 -0.51 0.00 0.07 0.00 0.00 59.36 58.92 1fo5 h GLU 50 Cb 0.06 0.00 0.19 0.00 0.50 0.00 0.00 28.75 29.50 1fo5 h GLU 50 CO 0.00 0.09 0.22 0.71 0.07 0.00 0.00 179.01 180.10 1fo5 s TYR 51 N -4.18 1.77 0.18 2.06 2.02 -0.10 -4.95 117.35 114.15 1fo5 s TYR 51 Ca -0.03 1.69 -0.09 0.00 -0.37 0.00 0.00 57.07 58.27 1fo5 s TYR 51 Cb 0.13 -3.27 0.07 0.00 -0.40 0.00 0.00 41.96 38.49 1fo5 s TYR 51 CO 0.56 -2.73 1.62 0.78 -1.57 0.00 0.00 175.55 174.22 1fo5 h GLY 52 N -1.81 1.13 0.24 0.71 0.00 -1.89 -3.26 103.07 98.19 1fo5 h GLY 52 Ca -0.45 -0.87 0.02 0.00 0.00 0.00 0.00 47.33 46.02 1fo5 h GLY 52 CO 0.44 0.80 -0.45 1.19 0.00 0.00 0.00 176.54 178.53 1fo5 h ILE 53 N 0.94 0.11 0.00 2.60 6.09 -1.95 -3.45 117.51 121.86 1fo5 h ILE 53 Ca 0.16 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.65 1fo5 h ILE 53 Cb 0.62 0.11 0.00 0.00 0.47 0.00 0.00 36.82 38.03 1fo5 h ILE 53 CO 0.04 0.00 0.00 0.23 -3.07 0.00 0.00 178.15 175.35 1fo5 n MET 54 N -5.47 0.00 -0.14 2.19 2.81 -1.23 -4.91 117.12 110.36 1fo5 n MET 54 Ca -0.08 0.00 -0.03 0.00 -1.81 0.00 0.00 57.70 55.78 1fo5 n MET 54 Cb 0.39 -2.65 0.03 0.00 -0.71 0.00 0.00 33.22 30.27 1fo5 n MET 54 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1fo5 n ALA 55 N 0.76 -0.30 -3.11 3.04 0.00 -1.26 -5.03 120.51 114.61 1fo5 n ALA 55 Ca 0.00 -0.18 -0.14 0.00 0.00 0.00 0.00 53.44 53.12 1fo5 n ALA 55 Cb 0.00 -0.01 -0.15 0.00 0.00 0.00 0.00 19.45 19.29 1fo5 n ALA 55 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1fo5 s VAL 56 N -1.24 0.11 0.83 0.00 1.01 -1.26 -3.94 120.40 115.91 1fo5 s VAL 56 Ca 0.08 -0.01 -0.11 0.00 0.00 0.00 0.00 61.98 61.94 1fo5 s VAL 56 Cb -0.01 -0.14 0.09 0.00 0.00 0.00 0.00 36.38 36.33 1fo5 s VAL 56 CO 0.06 0.06 1.13 -2.16 0.00 0.00 0.00 175.10 174.19 1fo5 s PRO 57 N 0.29 1.70 -0.10 2.72 0.04 -1.26 -5.11 135.00 133.27 1fo5 s PRO 57 Ca -0.02 1.40 0.03 0.00 0.04 0.00 0.00 61.00 62.45 1fo5 s PRO 57 Cb -0.04 -1.82 0.01 0.00 0.04 0.00 0.00 34.50 32.68 1fo5 s PRO 57 CO -0.01 -2.10 -0.21 0.99 0.04 0.00 0.00 177.00 175.71 1fo5 s THR 58 N -2.69 1.84 0.19 1.26 2.01 -0.56 -4.66 115.64 113.03 1fo5 s THR 58 Ca 0.65 -0.88 0.04 0.00 0.31 0.00 0.00 61.69 61.81 1fo5 s THR 58 Cb -0.21 -1.61 -0.05 0.00 0.01 0.00 0.00 72.50 70.64 1fo5 s THR 58 CO 0.55 0.51 -0.05 -0.63 -0.69 0.00 0.00 174.62 174.31 1fo5 s ILE 59 N 0.52 1.13 -0.02 1.82 1.09 -0.42 -1.18 121.20 124.14 1fo5 s ILE 59 Ca -0.15 -2.05 0.02 0.00 -1.10 0.00 0.00 60.65 57.37 1fo5 s ILE 59 Cb -0.17 -2.11 0.00 0.00 -1.06 0.00 0.00 42.46 39.12 1fo5 s ILE 59 CO 0.06 -0.53 -0.08 -0.69 -0.10 0.00 0.00 174.94 173.59 1fo5 s VAL 60 N -3.36 0.72 0.06 2.92 1.01 -0.05 -0.73 120.40 120.98 1fo5 s VAL 60 Ca 0.23 -0.34 0.06 0.00 0.00 0.00 0.00 61.98 61.93 1fo5 s VAL 60 Cb 0.04 -0.64 -0.03 0.00 0.00 0.00 0.00 36.38 35.75 1fo5 s VAL 60 CO 0.05 0.22 -0.18 0.27 0.00 0.00 0.00 175.10 175.46 1fo5 s ILE 61 N 0.11 1.43 0.00 2.22 -5.25 -0.30 -1.51 121.20 117.90 1fo5 s ILE 61 Ca -0.02 -1.22 0.00 0.00 -0.99 0.00 0.00 60.65 58.43 1fo5 s ILE 61 Cb -0.07 -1.29 0.00 0.00 2.95 0.00 0.00 42.46 44.05 1fo5 s ILE 61 CO 0.00 0.04 0.00 -3.20 -1.79 0.00 0.00 174.94 169.99 1fo5 n ASN 62 N 1.64 0.00 0.00 4.36 5.15 -0.64 -0.53 115.26 125.23 1fo5 n ASN 62 Ca -0.18 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.80 1fo5 n ASN 62 Cb 0.54 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.79 1fo5 n ASN 62 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1fo5 n GLY 63 N 0.00 0.00 3.62 8.20 0.00 -0.81 -1.38 105.19 114.83 1fo5 n GLY 63 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1fo5 n GLY 63 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1fo5 s ASP 64 N 0.00 6.47 0.37 1.61 2.15 0.31 -5.05 116.67 122.54 1fo5 s ASP 64 Ca 0.00 0.57 -0.26 0.00 0.43 0.00 0.00 52.55 53.29 1fo5 s ASP 64 Cb 0.00 -2.29 -0.09 0.00 -0.30 0.00 0.00 42.92 40.24 1fo5 s ASP 64 CO 0.00 -0.29 1.14 -0.69 -0.17 0.00 0.00 175.17 175.15 1fo5 s VAL 65 N 2.29 3.31 -0.13 1.11 1.01 -1.26 -1.15 120.40 125.58 1fo5 s VAL 65 Ca 0.22 1.14 -0.34 0.00 0.00 0.00 0.00 61.98 63.00 1fo5 s VAL 65 Cb -0.16 -3.65 0.14 0.00 0.00 0.00 0.00 36.38 32.72 1fo5 s VAL 65 CO 0.09 0.13 1.37 -0.70 0.00 0.00 0.00 175.10 175.99 1fo5 s GLU 66 N -2.13 0.14 0.02 2.72 2.56 0.10 -4.95 118.70 117.16 1fo5 s GLU 66 Ca 0.54 -0.07 0.01 0.00 0.00 0.00 0.00 54.97 55.45 1fo5 s GLU 66 Cb -0.30 0.05 -0.02 0.00 2.00 0.00 0.00 34.13 35.87 1fo5 s GLU 66 CO 0.38 -0.06 -0.04 -0.59 -0.56 0.00 0.00 175.26 174.38 1fo5 s PHE 67 N -2.16 0.35 -0.10 5.30 -0.71 -1.26 -1.30 117.98 118.10 1fo5 s PHE 67 Ca 0.13 -0.47 -0.08 0.00 -1.04 0.00 0.00 56.93 55.48 1fo5 s PHE 67 Cb 0.04 -0.23 0.03 0.00 -1.21 0.00 0.00 43.02 41.65 1fo5 s PHE 67 CO -0.05 -0.14 0.25 0.42 -1.34 0.00 0.00 175.22 174.36 1fo5 s ILE 68 N -1.29 -0.01 0.00 -4.49 -1.09 -1.26 -5.06 121.20 108.00 1fo5 s ILE 68 Ca -0.13 0.04 0.00 0.00 -2.23 0.00 0.00 60.65 58.33 1fo5 s ILE 68 Cb -0.09 -0.37 0.00 0.00 -1.58 0.00 0.00 42.46 40.42 1fo5 s ILE 68 CO -0.01 0.01 0.00 0.61 -1.23 0.00 0.00 174.94 174.33 1fo5 n GLY 69 N 3.27 -2.58 0.13 6.18 0.00 -1.26 -4.33 105.19 106.59 1fo5 n GLY 69 Ca -0.16 -1.64 -0.17 0.00 0.00 0.00 0.00 46.02 44.05 1fo5 n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fo5 h ALA 70 N 0.00 0.06 -3.12 4.61 0.00 -2.01 -3.46 119.26 115.34 1fo5 h ALA 70 Ca 0.00 -0.54 -0.10 0.00 0.00 0.00 0.00 54.91 54.27 1fo5 h ALA 70 Cb 0.00 0.03 0.05 0.00 0.00 0.00 0.00 17.79 17.87 1fo5 h ALA 70 CO 0.00 0.27 0.04 -0.35 0.00 0.00 0.00 179.25 179.21 1fo5 n PRO 71 N -4.31 -1.40 0.00 0.00 -0.04 -1.26 -4.82 135.00 123.17 1fo5 n PRO 71 Ca -0.10 -0.45 0.00 0.00 -0.04 0.00 0.00 63.50 62.91 1fo5 n PRO 71 Cb 0.62 -0.41 0.00 0.00 -0.04 0.00 0.00 33.50 33.68 1fo5 n PRO 71 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1fo5 n THR 72 N -3.02 0.00 0.54 0.52 -2.24 -1.26 -4.74 114.28 104.07 1fo5 n THR 72 Ca 0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 1fo5 n THR 72 Cb 0.15 -0.53 0.00 0.00 -2.10 0.00 0.00 70.33 67.85 1fo5 n THR 72 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1fo5 n LYS 73 N -0.55 0.54 -0.18 -0.78 3.00 -1.26 -4.59 118.16 114.34 1fo5 n LYS 73 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1fo5 n LYS 73 Cb 0.00 -1.24 0.03 0.00 0.00 0.00 0.00 35.03 33.82 1fo5 n LYS 73 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1fo5 n GLU 74 N 0.62 -0.10 0.10 1.64 -0.58 -1.26 -0.07 120.64 120.99 1fo5 n GLU 74 Ca 0.00 0.72 -0.12 0.00 -0.42 0.00 0.00 57.16 57.33 1fo5 n GLU 74 Cb 0.24 -1.07 -0.05 0.00 -0.57 0.00 0.00 31.44 29.99 1fo5 n GLU 74 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1fo5 h ALA 75 N 0.70 -0.44 0.00 0.62 0.00 -1.86 -1.09 119.26 117.20 1fo5 h ALA 75 Ca 0.17 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 1fo5 h ALA 75 Cb 0.29 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1fo5 h ALA 75 CO -0.47 -0.80 -0.45 1.25 0.00 0.00 0.00 179.25 178.78 1fo5 h LEU 76 N -0.46 0.00 -0.72 0.00 7.12 -1.53 -3.28 115.31 116.44 1fo5 h LEU 76 Ca 0.04 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.05 1fo5 h LEU 76 Cb 0.51 0.00 -0.04 0.00 -0.53 0.00 0.00 40.66 40.60 1fo5 h LEU 76 CO -0.18 0.45 0.47 1.62 -0.13 0.00 0.00 178.44 180.66 1fo5 h VAL 77 N 0.00 1.19 0.00 1.05 3.04 0.73 0.18 116.25 122.44 1fo5 h VAL 77 Ca -0.00 -0.36 0.00 0.00 -1.01 0.00 0.00 66.70 65.33 1fo5 h VAL 77 Cb 0.96 0.15 0.00 0.00 -2.01 0.00 0.00 31.29 30.39 1fo5 h VAL 77 CO 0.06 0.18 0.00 -0.62 -1.01 0.00 0.00 177.57 176.18 1fo5 n GLU 78 N -4.58 0.10 -0.12 4.17 1.02 -0.68 -1.68 120.64 118.87 1fo5 n GLU 78 Ca 0.06 0.50 -0.17 0.00 -0.02 0.00 0.00 57.16 57.53 1fo5 n GLU 78 Cb 0.02 -1.76 -0.12 0.00 -0.02 0.00 0.00 31.44 29.56 1fo5 n GLU 78 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1fo5 n ALA 79 N -1.67 1.46 -0.33 0.62 0.00 0.05 -3.67 120.51 116.97 1fo5 n ALA 79 Ca 0.00 -1.11 0.02 0.00 0.00 0.00 0.00 53.44 52.36 1fo5 n ALA 79 Cb 0.09 -0.10 0.17 0.00 0.00 0.00 0.00 19.45 19.61 1fo5 n ALA 79 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 1fo5 h ILE 80 N 0.00 1.01 0.00 0.00 3.07 -0.18 0.56 117.51 121.97 1fo5 h ILE 80 Ca -0.56 -0.34 0.00 0.00 1.55 0.00 0.00 64.86 65.51 1fo5 h ILE 80 Cb 1.91 -0.06 0.00 0.00 -0.27 0.00 0.00 36.82 38.41 1fo5 h ILE 80 CO -0.08 0.18 0.00 0.07 -1.05 0.00 0.00 178.15 177.27 1fo5 h LYS 81 N 0.98 0.00 0.00 0.16 2.10 -1.53 -2.94 116.57 115.35 1fo5 h LYS 81 Ca 0.41 0.00 -0.23 0.00 -2.00 0.00 0.00 60.65 58.83 1fo5 h LYS 81 Cb 0.25 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.55 1fo5 h LYS 81 CO -0.20 0.00 -1.17 1.57 -2.00 0.00 0.00 179.45 177.65 1fo5 h LYS 82 N 0.00 0.01 0.00 0.07 5.09 -1.18 -3.48 116.57 117.08 1fo5 h LYS 82 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 60.65 60.73 1fo5 h LYS 82 Cb 0.66 0.01 0.00 0.00 0.10 0.00 0.00 32.23 32.99 1fo5 h LYS 82 CO 0.00 0.90 0.00 -2.13 -2.09 0.00 0.00 179.45 176.13 1fo5 n ARG 83 N -3.29 0.00 0.00 0.07 3.00 0.03 -5.09 116.66 111.38 1fo5 n ARG 83 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.81 1fo5 n ARG 83 Cb 0.97 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.43 1fo5 n ARG 83 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52