#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fo5 n SER 1 N 0.00 -2.00 -4.55 7.83 7.64 -1.26 -5.11 113.62 116.17 1fo5 n SER 1 Ca 0.00 -3.51 -0.38 0.00 1.01 0.00 0.00 58.87 55.99 1fo5 n SER 1 Cb 0.00 1.52 -0.03 0.00 -1.01 0.00 0.00 64.21 64.69 1fo5 n SER 1 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1fo5 s LYS 2 N -0.01 2.70 0.29 1.43 2.47 -1.26 -4.80 119.74 120.56 1fo5 s LYS 2 Ca 0.27 0.46 -0.14 0.00 -1.56 0.00 0.00 55.97 55.00 1fo5 s LYS 2 Cb 0.28 -4.39 -0.08 0.00 -1.46 0.00 0.00 37.83 32.18 1fo5 s LYS 2 CO -0.10 -2.68 0.68 0.08 0.16 0.00 0.00 175.35 173.50 1fo5 s VAL 3 N 8.65 4.75 -0.16 4.02 1.01 -0.13 -5.00 120.40 133.54 1fo5 s VAL 3 Ca 0.63 0.83 -0.00 0.00 0.00 0.00 0.00 61.98 63.44 1fo5 s VAL 3 Cb -0.12 -3.62 0.04 0.00 0.00 0.00 0.00 36.38 32.68 1fo5 s VAL 3 CO 0.19 -0.13 -0.06 -0.54 0.00 0.00 0.00 175.10 174.56 1fo5 s LYS 4 N -2.88 1.49 -0.04 2.72 3.01 -0.05 -1.45 119.74 122.54 1fo5 s LYS 4 Ca 0.52 -0.51 -0.03 0.00 -1.01 0.00 0.00 55.97 54.94 1fo5 s LYS 4 Cb -0.11 -1.99 -0.04 0.00 -1.01 0.00 0.00 37.83 34.69 1fo5 s LYS 4 CO 0.19 -0.41 0.13 0.42 0.51 0.00 0.00 175.35 176.18 1fo5 s ILE 5 N 1.63 5.14 0.05 2.17 1.09 0.22 -2.91 121.20 128.58 1fo5 s ILE 5 Ca 0.01 -0.16 -0.03 0.00 -1.10 0.00 0.00 60.65 59.37 1fo5 s ILE 5 Cb -0.15 -3.33 -0.02 0.00 -1.06 0.00 0.00 42.46 37.90 1fo5 s ILE 5 CO -0.08 0.42 0.04 -1.61 -0.10 0.00 0.00 174.94 173.61 1fo5 s GLU 6 N -1.58 0.60 -0.42 2.79 2.02 -0.68 -1.36 118.70 120.06 1fo5 s GLU 6 Ca 0.22 -0.97 0.02 0.00 0.02 0.00 0.00 54.97 54.26 1fo5 s GLU 6 Cb -0.12 0.22 0.14 0.00 0.10 0.00 0.00 34.13 34.47 1fo5 s GLU 6 CO 0.13 -0.14 0.26 -1.17 0.02 0.00 0.00 175.26 174.35 1fo5 s LEU 7 N -2.50 2.16 -0.38 1.80 1.98 0.10 -0.60 118.68 121.24 1fo5 s LEU 7 Ca 0.00 -2.61 -0.06 0.00 -2.89 0.00 0.00 54.13 48.57 1fo5 s LEU 7 Cb 0.03 -0.81 0.07 0.00 0.66 0.00 0.00 46.19 46.14 1fo5 s LEU 7 CO -0.07 -0.26 0.18 0.12 -1.89 0.00 0.00 176.35 174.43 1fo5 s PHE 8 N 0.44 3.36 -0.10 5.38 2.19 -0.50 -1.15 117.98 127.60 1fo5 s PHE 8 Ca 0.20 -1.71 -0.33 0.00 0.33 0.00 0.00 56.93 55.42 1fo5 s PHE 8 Cb -0.20 -2.75 0.14 0.00 -1.31 0.00 0.00 43.02 38.91 1fo5 s PHE 8 CO -0.03 -0.84 1.41 -0.08 1.83 0.00 0.00 175.22 177.51 1fo5 s THR 9 N 1.35 0.00 -0.55 0.12 -1.32 -1.25 -0.68 115.64 113.31 1fo5 s THR 9 Ca 0.02 -0.05 0.05 0.00 -1.21 0.00 0.00 61.69 60.50 1fo5 s THR 9 Cb -0.22 -1.90 0.19 0.00 -1.51 0.00 0.00 72.50 69.06 1fo5 s THR 9 CO 0.01 0.00 0.48 -1.54 -2.21 0.00 0.00 174.62 171.36 1fo5 n SER 10 N -0.45 1.52 -3.68 8.08 3.41 -1.26 -1.52 113.62 119.72 1fo5 n SER 10 Ca -0.08 -2.88 -0.42 0.00 -0.26 0.00 0.00 58.87 55.22 1fo5 n SER 10 Cb 0.63 -0.66 -0.02 0.00 -0.26 0.00 0.00 64.21 63.90 1fo5 n SER 10 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1fo5 n PRO 11 N 2.03 2.46 -0.30 4.33 -0.04 -1.26 -4.76 135.00 137.45 1fo5 n PRO 11 Ca 0.25 -2.35 0.03 0.00 -0.04 0.00 0.00 63.50 61.39 1fo5 n PRO 11 Cb 0.43 -3.16 0.17 0.00 -0.04 0.00 0.00 33.50 30.90 1fo5 n PRO 11 CO 0.00 0.00 0.00 1.98 -0.04 0.00 0.00 175.50 177.44 1fo5 h MET 12 N 6.55 0.82 0.00 0.54 4.05 -1.97 -0.70 114.93 124.21 1fo5 h MET 12 Ca 0.53 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.90 1fo5 h MET 12 Cb 0.63 -0.18 0.00 0.00 -0.80 0.00 0.00 31.60 31.25 1fo5 h MET 12 CO 1.90 0.54 0.00 0.00 0.23 0.00 0.00 176.91 179.58 1fo5 h PRO 14 N 0.00 0.00 0.00 0.00 0.13 -1.93 -3.46 132.00 126.73 1fo5 h PRO 14 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1fo5 h PRO 14 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1fo5 h PRO 14 CO 0.00 0.43 0.00 0.72 -0.23 0.00 0.00 178.00 178.92 1fo5 n HIS 15 N -3.55 0.00 -1.42 1.56 8.25 -0.27 -4.90 115.22 114.90 1fo5 n HIS 15 Ca -0.00 0.00 0.18 0.00 -0.26 0.00 0.00 57.72 57.63 1fo5 n HIS 15 Cb 0.55 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.59 1fo5 n HIS 15 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1fo5 n PRO 17 N -4.23 0.16 0.00 0.00 -0.04 -1.26 -4.96 135.00 124.68 1fo5 n PRO 17 Ca -0.04 0.47 0.00 0.00 -0.04 0.00 0.00 63.50 63.89 1fo5 n PRO 17 Cb 0.68 -1.86 0.00 0.00 -0.04 0.00 0.00 33.50 32.27 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 -1.75 0.00 -0.33 0.55 0.00 -1.26 -1.36 120.51 116.36 1fo5 n ALA 18 Ca 0.01 0.00 0.32 0.00 0.00 0.00 0.00 53.44 53.77 1fo5 n ALA 18 Cb 0.17 0.00 0.68 0.00 0.00 0.00 0.00 19.45 20.30 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 -0.07 2.84 -0.40 0.00 0.00 -1.93 0.49 119.26 120.19 1fo5 h ALA 19 Ca 0.00 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.95 1fo5 h ALA 19 Cb 0.00 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1fo5 h ALA 19 CO 0.00 -1.21 0.14 0.87 0.00 0.00 0.00 179.25 179.05 1fo5 h LYS 20 N 0.12 0.29 0.15 0.00 1.79 -1.63 0.13 116.57 117.43 1fo5 h LYS 20 Ca 0.58 -0.02 -0.29 0.00 -2.18 0.00 0.00 60.65 58.75 1fo5 h LYS 20 Cb 2.05 -0.07 0.01 0.00 -1.58 0.00 0.00 32.23 32.64 1fo5 h LYS 20 CO -0.11 0.19 -1.29 0.00 -1.08 0.00 0.00 179.45 177.16 1fo5 h ARG 21 N 0.30 0.34 -0.11 3.15 3.08 -1.06 -1.79 114.38 118.29 1fo5 h ARG 21 Ca 0.19 -0.57 -0.07 0.00 0.07 0.00 0.00 59.98 59.59 1fo5 h ARG 21 Cb 0.17 0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 1fo5 h ARG 21 CO -0.19 1.27 -0.26 0.28 -1.07 0.00 0.00 179.97 179.99 1fo5 h VAL 22 N 0.10 1.24 0.58 2.04 2.07 -1.19 0.12 116.25 121.20 1fo5 h VAL 22 Ca -0.16 -1.10 -0.03 0.00 0.82 0.00 0.00 66.70 66.23 1fo5 h VAL 22 Cb 2.01 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 33.23 1fo5 h VAL 22 CO 0.22 0.33 -0.29 0.58 0.02 0.00 0.00 177.57 178.43 1fo5 h VAL 23 N 0.17 0.41 -0.83 2.57 2.07 -0.75 -1.90 116.25 117.98 1fo5 h VAL 23 Ca 0.03 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.65 1fo5 h VAL 23 Cb 0.57 0.41 -0.07 0.00 -1.52 0.00 0.00 31.29 30.67 1fo5 h VAL 23 CO 0.04 0.00 0.47 -0.33 0.02 0.00 0.00 177.57 177.77 1fo5 h GLU 24 N -0.80 0.76 0.00 1.57 5.08 -0.64 0.19 114.58 120.74 1fo5 h GLU 24 Ca -0.08 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1fo5 h GLU 24 Cb 0.62 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1fo5 h GLU 24 CO 0.12 0.50 0.00 -1.91 -1.00 0.00 0.00 179.01 176.72 1fo5 n GLU 25 N -4.75 0.00 0.22 2.33 2.13 0.35 -1.55 120.64 119.37 1fo5 n GLU 25 Ca 0.14 0.60 0.12 0.00 0.66 0.00 0.00 57.16 58.67 1fo5 n GLU 25 Cb 0.29 -1.40 0.33 0.00 0.27 0.00 0.00 31.44 30.93 1fo5 n GLU 25 CO 0.00 0.00 0.00 -0.39 -0.41 0.00 0.00 177.13 176.33 1fo5 h VAL 26 N 0.00 0.22 0.00 6.31 -1.51 -1.23 -2.76 116.25 117.28 1fo5 h VAL 26 Ca 0.00 -1.08 -0.07 0.00 -1.23 0.00 0.00 66.70 64.32 1fo5 h VAL 26 Cb 0.00 1.90 -0.01 0.00 -2.13 0.00 0.00 31.29 31.05 1fo5 h VAL 26 CO 0.00 0.11 -0.35 0.00 -1.23 0.00 0.00 177.57 176.10 1fo5 h ALA 27 N 1.89 1.36 -0.14 5.19 0.00 -0.63 0.12 119.26 127.05 1fo5 h ALA 27 Ca -0.00 -0.32 0.04 0.00 0.00 0.00 0.00 54.91 54.63 1fo5 h ALA 27 Cb 0.89 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1fo5 h ALA 27 CO 0.01 0.43 0.11 -0.97 0.00 0.00 0.00 179.25 178.84 1fo5 h ASN 28 N 0.00 0.00 0.00 0.00 -1.24 -0.97 -2.91 115.58 110.46 1fo5 h ASN 28 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1fo5 h ASN 28 Cb 0.64 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.69 1fo5 h ASN 28 CO 0.05 0.00 -0.09 -0.33 -1.29 0.00 0.00 177.43 175.77 1fo5 h GLU 29 N 0.00 0.00 -2.83 6.67 4.39 -1.30 -3.46 114.58 118.05 1fo5 h GLU 29 Ca 0.07 0.00 -0.61 0.00 0.34 0.00 0.00 59.36 59.16 1fo5 h GLU 29 Cb 0.29 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 28.54 1fo5 h GLU 29 CO -0.00 0.00 -0.77 -1.64 -1.16 0.00 0.00 179.01 175.44 1fo5 s MET 30 N -1.42 1.36 -1.17 2.33 -1.94 0.30 -4.99 119.30 113.78 1fo5 s MET 30 Ca -0.03 -2.23 -0.17 0.00 -1.71 0.00 0.00 55.69 51.55 1fo5 s MET 30 Cb 0.00 -2.25 -0.05 0.00 2.01 0.00 0.00 34.83 34.55 1fo5 s MET 30 CO 0.04 -1.24 2.13 -0.35 -0.01 0.00 0.00 175.02 175.58 1fo5 n PRO 31 N 3.12 2.31 0.01 2.03 -0.04 -1.11 -3.51 135.00 137.81 1fo5 n PRO 31 Ca 0.16 -2.25 0.00 0.00 -0.04 0.00 0.00 63.50 61.37 1fo5 n PRO 31 Cb 0.38 -3.10 0.00 0.00 -0.04 0.00 0.00 33.50 30.74 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 6.53 -0.14 -0.46 3.54 2.03 -1.26 -5.02 116.55 121.78 1fo5 n ASP 32 Ca 0.52 0.36 0.10 0.00 0.52 0.00 0.00 54.79 56.29 1fo5 n ASP 32 Cb 0.38 0.47 0.40 0.00 -0.72 0.00 0.00 41.12 41.65 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 -2.58 2.53 -2.83 -1.67 0.00 -1.23 -4.84 120.51 109.90 1fo5 n ALA 33 Ca 0.00 -0.46 -0.39 0.00 0.00 0.00 0.00 53.44 52.59 1fo5 n ALA 33 Cb 0.00 -1.12 -0.11 0.00 0.00 0.00 0.00 19.45 18.21 1fo5 n ALA 33 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1fo5 s VAL 34 N -1.83 4.67 0.51 0.00 1.01 -1.24 -0.95 120.40 122.56 1fo5 s VAL 34 Ca 0.32 -0.45 -0.18 0.00 0.00 0.00 0.00 61.98 61.66 1fo5 s VAL 34 Cb 0.17 -3.41 -0.08 0.00 0.00 0.00 0.00 36.38 33.06 1fo5 s VAL 34 CO 0.25 0.02 1.01 -1.61 0.00 0.00 0.00 175.10 174.78 1fo5 s GLU 35 N 1.62 3.83 -0.41 2.72 0.41 -0.53 -4.97 118.70 121.36 1fo5 s GLU 35 Ca 0.04 1.15 0.09 0.00 -0.41 0.00 0.00 54.97 55.85 1fo5 s GLU 35 Cb -0.17 -2.11 0.35 0.00 -1.78 0.00 0.00 34.13 30.42 1fo5 s GLU 35 CO 0.07 -0.38 1.03 1.33 -0.49 0.00 0.00 175.26 176.82 1fo5 n VAL 36 N -1.33 0.05 -2.00 2.63 0.24 -1.11 -0.61 118.33 116.20 1fo5 n VAL 36 Ca 0.08 -2.51 -0.41 0.00 -2.04 0.00 0.00 64.34 59.46 1fo5 n VAL 36 Cb 0.53 0.85 -0.02 0.00 -1.47 0.00 0.00 33.84 33.73 1fo5 n VAL 36 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1fo5 s GLU 37 N -0.82 4.26 -0.36 7.34 0.41 -0.47 -4.89 118.70 124.18 1fo5 s GLU 37 Ca 0.27 2.33 -0.00 0.00 -0.41 0.00 0.00 54.97 57.16 1fo5 s GLU 37 Cb 0.34 -3.08 0.09 0.00 -1.78 0.00 0.00 34.13 29.70 1fo5 s GLU 37 CO -0.06 -0.39 0.10 -0.47 -0.49 0.00 0.00 175.26 173.95 1fo5 s TYR 38 N -0.36 3.55 -0.61 1.61 5.04 -1.26 -0.72 117.35 124.60 1fo5 s TYR 38 Ca 0.57 -2.45 0.05 0.00 -2.44 0.00 0.00 57.07 52.80 1fo5 s TYR 38 Cb -0.42 -2.83 0.19 0.00 0.35 0.00 0.00 41.96 39.25 1fo5 s TYR 38 CO 0.48 -0.92 0.50 0.44 -1.34 0.00 0.00 175.55 174.70 1fo5 n ILE 39 N 4.50 0.93 -1.86 3.14 -0.00 -0.30 -4.98 119.36 120.80 1fo5 n ILE 39 Ca -0.04 -4.53 -0.38 0.00 -0.00 0.00 0.00 62.75 57.80 1fo5 n ILE 39 Cb 0.42 -2.03 0.04 0.00 -0.00 0.00 0.00 39.64 38.06 1fo5 n ILE 39 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 1fo5 s ASN 40 N -1.25 5.28 -0.83 7.28 6.03 -1.26 -3.78 114.94 126.41 1fo5 s ASN 40 Ca 0.30 2.65 -0.25 0.00 -1.03 0.00 0.00 52.86 54.53 1fo5 s ASN 40 Cb 0.02 -2.63 -0.03 0.00 -3.03 0.00 0.00 41.25 35.59 1fo5 s ASN 40 CO -0.15 -1.55 1.85 -0.69 -2.03 0.00 0.00 177.10 174.52 1fo5 s VAL 41 N -1.37 3.48 0.30 3.54 1.01 -0.58 -3.85 120.40 122.93 1fo5 s VAL 41 Ca 0.73 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.49 1fo5 s VAL 41 Cb -0.38 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 31.88 1fo5 s VAL 41 CO 0.44 -1.07 0.00 0.80 0.00 0.00 0.00 175.10 175.27 1fo5 n MET 42 N 8.97 0.00 -0.06 2.72 0.00 -1.26 -4.63 117.12 122.87 1fo5 n MET 42 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 57.70 58.02 1fo5 n MET 42 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.71 1fo5 n MET 42 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 1fo5 n GLU 43 N -3.20 0.00 -2.62 2.12 2.13 -1.26 -5.12 120.64 112.69 1fo5 n GLU 43 Ca 0.00 -0.41 -0.34 0.00 0.66 0.00 0.00 57.16 57.06 1fo5 n GLU 43 Cb 0.00 -0.37 -0.05 0.00 0.27 0.00 0.00 31.44 31.29 1fo5 n GLU 43 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 1fo5 s ASN 44 N -0.09 6.62 0.34 4.31 -0.87 -1.25 -5.01 114.94 119.00 1fo5 s ASN 44 Ca 0.00 1.90 -0.29 0.00 -1.57 0.00 0.00 52.86 52.90 1fo5 s ASN 44 Cb 0.00 -2.56 -0.10 0.00 -0.02 0.00 0.00 41.25 38.56 1fo5 s ASN 44 CO 0.00 -0.58 1.37 -2.16 -2.57 0.00 0.00 177.10 173.15 1fo5 s PRO 45 N -2.99 4.28 0.00 -0.60 0.04 -1.26 -4.88 135.00 129.58 1fo5 s PRO 45 Ca 0.63 2.33 0.00 0.00 0.04 0.00 0.00 61.00 64.00 1fo5 s PRO 45 Cb -0.16 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 31.34 1fo5 s PRO 45 CO 0.20 -0.30 0.25 1.04 0.04 0.00 0.00 177.00 178.23 1fo5 n GLN 46 N 0.74 0.46 -0.22 4.56 3.00 -1.26 -4.48 117.38 120.18 1fo5 n GLN 46 Ca 0.00 0.00 0.20 0.00 -0.01 0.00 0.00 57.00 57.19 1fo5 n GLN 46 Cb 0.41 -1.21 0.54 0.00 0.00 0.00 0.00 30.24 29.97 1fo5 n GLN 46 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.06 178.63 1fo5 h LYS 47 N 0.50 0.34 0.00 -1.09 -0.00 -2.02 0.20 116.57 114.50 1fo5 h LYS 47 Ca 0.00 -0.02 -0.22 0.00 -0.00 0.00 0.00 60.65 60.41 1fo5 h LYS 47 Cb 0.21 -0.08 -0.04 0.00 -0.00 0.00 0.00 32.23 32.33 1fo5 h LYS 47 CO 0.00 0.23 -1.64 0.00 -0.00 0.00 0.00 179.45 178.04 1fo5 n ALA 48 N -2.54 1.81 0.22 0.07 0.00 -1.26 -4.28 120.51 114.53 1fo5 n ALA 48 Ca 0.18 -0.69 0.09 0.00 0.00 0.00 0.00 53.44 53.01 1fo5 n ALA 48 Cb 0.70 -0.83 0.52 0.00 0.00 0.00 0.00 19.45 19.84 1fo5 n ALA 48 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1fo5 h MET 49 N 0.00 0.00 0.00 0.00 2.86 -1.00 -3.17 114.93 113.62 1fo5 h MET 49 Ca -0.23 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.41 1fo5 h MET 49 Cb 1.75 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.41 1fo5 h MET 49 CO 0.05 0.24 0.00 1.05 1.06 0.00 0.00 176.91 179.31 1fo5 h GLU 50 N 0.00 0.00 -6.99 1.72 4.11 -1.37 -3.38 114.58 108.67 1fo5 h GLU 50 Ca -0.00 0.00 -0.52 0.00 0.07 0.00 0.00 59.36 58.91 1fo5 h GLU 50 Cb 0.59 0.00 0.08 0.00 0.50 0.00 0.00 28.75 29.92 1fo5 h GLU 50 CO 0.03 0.00 0.54 0.71 0.07 0.00 0.00 179.01 180.36 1fo5 s TYR 51 N -3.61 2.75 0.54 2.06 1.51 -1.20 -4.92 117.35 114.48 1fo5 s TYR 51 Ca 0.01 1.47 0.29 0.00 -1.01 0.00 0.00 57.07 57.84 1fo5 s TYR 51 Cb 0.09 -3.54 1.45 0.00 -0.11 0.00 0.00 41.96 39.86 1fo5 s TYR 51 CO 0.43 -1.93 1.93 0.78 -1.11 0.00 0.00 175.55 175.64 1fo5 h GLY 52 N 2.11 0.00 0.41 0.71 0.00 -1.91 0.11 103.07 104.50 1fo5 h GLY 52 Ca -0.50 0.00 0.10 0.00 0.00 0.00 0.00 47.33 46.93 1fo5 h GLY 52 CO 0.60 0.00 0.31 1.19 0.00 0.00 0.00 176.54 178.64 1fo5 h ILE 53 N 0.00 0.80 -5.46 2.60 6.09 -1.91 -3.46 117.51 116.18 1fo5 h ILE 53 Ca 0.35 -0.18 -0.19 0.00 -1.37 0.00 0.00 64.86 63.47 1fo5 h ILE 53 Cb 1.44 0.24 -0.10 0.00 0.47 0.00 0.00 36.82 38.87 1fo5 h ILE 53 CO -0.00 0.10 -0.28 0.23 -3.07 0.00 0.00 178.15 175.13 1fo5 n MET 54 N -4.92 -2.46 -4.28 2.19 2.81 0.02 -4.92 117.12 105.57 1fo5 n MET 54 Ca 0.11 0.11 -0.27 0.00 -1.81 0.00 0.00 57.70 55.83 1fo5 n MET 54 Cb 0.29 -4.66 -0.06 0.00 -0.71 0.00 0.00 33.22 28.08 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 -2.92 0.38 -2.11 3.04 0.00 -1.26 -5.09 120.51 112.55 1fo5 n ALA 55 Ca 0.02 -1.95 -0.07 0.00 0.00 0.00 0.00 53.44 51.44 1fo5 n ALA 55 Cb 0.50 1.09 -0.10 0.00 0.00 0.00 0.00 19.45 20.94 1fo5 n ALA 55 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1fo5 s VAL 56 N -2.61 0.22 0.03 0.00 -7.23 -1.26 -4.00 120.40 105.55 1fo5 s VAL 56 Ca 0.02 -1.79 -0.30 0.00 -1.81 0.00 0.00 61.98 58.10 1fo5 s VAL 56 Cb 0.00 -1.52 -0.06 0.00 0.56 0.00 0.00 36.38 35.36 1fo5 s VAL 56 CO 0.01 -0.98 1.43 -2.16 -0.31 0.00 0.00 175.10 173.10 1fo5 s PRO 57 N -3.92 4.28 -1.25 4.82 0.04 -1.26 -4.88 135.00 132.83 1fo5 s PRO 57 Ca 0.07 2.04 -0.19 0.00 0.04 0.00 0.00 61.00 62.95 1fo5 s PRO 57 Cb 0.08 -3.51 0.04 0.00 0.04 0.00 0.00 34.50 31.15 1fo5 s PRO 57 CO -0.10 -0.56 1.76 0.99 0.04 0.00 0.00 177.00 179.12 1fo5 s THR 58 N 2.15 3.99 0.28 1.26 2.01 0.14 -4.13 115.64 121.34 1fo5 s THR 58 Ca 0.65 -1.63 -0.04 0.00 0.31 0.00 0.00 61.69 60.99 1fo5 s THR 58 Cb -0.34 -5.06 -0.05 0.00 0.01 0.00 0.00 72.50 67.07 1fo5 s THR 58 CO 0.28 -1.82 0.53 -0.63 -0.69 0.00 0.00 174.62 172.29 1fo5 s ILE 59 N 5.60 5.06 -0.10 1.82 -1.09 -0.44 -1.41 121.20 130.65 1fo5 s ILE 59 Ca 0.56 -0.04 0.03 0.00 -2.23 0.00 0.00 60.65 58.97 1fo5 s ILE 59 Cb 0.03 -3.74 0.01 0.00 -1.58 0.00 0.00 42.46 37.18 1fo5 s ILE 59 CO 0.07 -0.31 -0.18 -0.69 -1.23 0.00 0.00 174.94 172.60 1fo5 s VAL 60 N -2.06 1.66 0.02 2.92 1.01 0.23 -0.21 120.40 123.97 1fo5 s VAL 60 Ca 0.43 -0.77 0.05 0.00 0.00 0.00 0.00 61.98 61.69 1fo5 s VAL 60 Cb -0.11 -1.47 -0.02 0.00 0.00 0.00 0.00 36.38 34.79 1fo5 s VAL 60 CO 0.30 0.47 -0.16 0.27 0.00 0.00 0.00 175.10 175.98 1fo5 s ILE 61 N 0.64 1.27 0.00 2.22 -4.36 0.29 -1.68 121.20 119.57 1fo5 s ILE 61 Ca -0.14 -0.89 0.00 0.00 -0.26 0.00 0.00 60.65 59.37 1fo5 s ILE 61 Cb -0.16 -1.10 0.00 0.00 1.25 0.00 0.00 42.46 42.45 1fo5 s ILE 61 CO 0.04 0.20 0.00 -3.20 0.24 0.00 0.00 174.94 172.21 1fo5 n ASN 62 N 2.25 0.00 0.00 4.36 5.15 -1.15 -1.36 115.26 124.51 1fo5 n ASN 62 Ca -0.16 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.82 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 0.41 3.89 8.20 0.00 -1.21 -0.87 105.19 115.61 1fo5 n GLY 63 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 6.51 0.83 1.61 2.15 -0.46 -5.01 116.67 122.30 1fo5 s ASP 64 Ca 0.00 0.79 -0.11 0.00 0.43 0.00 0.00 52.55 53.66 1fo5 s ASP 64 Cb 0.00 -2.17 0.09 0.00 -0.30 0.00 0.00 42.92 40.54 1fo5 s ASP 64 CO 0.00 -0.14 1.10 0.68 -0.17 0.00 0.00 175.17 176.63 1fo5 s VAL 65 N -1.97 2.99 -0.16 1.11 -7.23 -1.26 -0.55 120.40 113.32 1fo5 s VAL 65 Ca 0.45 0.32 -0.35 0.00 -1.81 0.00 0.00 61.98 60.59 1fo5 s VAL 65 Cb -0.11 -2.74 0.15 0.00 0.56 0.00 0.00 36.38 34.24 1fo5 s VAL 65 CO 0.27 -0.42 1.37 -0.70 -0.31 0.00 0.00 175.10 175.31 1fo5 s GLU 66 N -4.87 0.11 0.11 4.82 2.56 0.71 -4.81 118.70 117.32 1fo5 s GLU 66 Ca 0.62 -0.05 0.05 0.00 0.00 0.00 0.00 54.97 55.59 1fo5 s GLU 66 Cb -0.18 0.04 -0.04 0.00 2.00 0.00 0.00 34.13 35.95 1fo5 s GLU 66 CO 0.57 -0.05 -0.12 -0.59 -0.56 0.00 0.00 175.26 174.50 1fo5 s PHE 67 N -2.13 1.25 -0.55 5.30 -0.71 -1.26 -1.33 117.98 118.55 1fo5 s PHE 67 Ca 0.13 -0.58 0.05 0.00 -1.04 0.00 0.00 56.93 55.48 1fo5 s PHE 67 Cb 0.03 -0.67 0.18 0.00 -1.21 0.00 0.00 43.02 41.36 1fo5 s PHE 67 CO -0.05 0.08 0.44 -0.89 -1.34 0.00 0.00 175.22 173.47 1fo5 n ILE 68 N 0.61 0.26 -2.64 -4.49 2.08 -1.26 -5.04 119.36 108.89 1fo5 n ILE 68 Ca -0.16 -4.19 0.00 0.00 0.56 0.00 0.00 62.75 58.95 1fo5 n ILE 68 Cb 0.57 -1.93 0.00 0.00 -0.75 0.00 0.00 39.64 37.53 1fo5 n ILE 68 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1fo5 n GLY 69 N 2.25 -1.76 0.25 7.39 0.00 -1.26 -4.22 105.19 107.83 1fo5 n GLY 69 Ca 0.25 -1.58 0.01 0.00 0.00 0.00 0.00 46.02 44.70 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 1.45 -2.03 4.61 0.00 -1.99 -3.39 119.26 117.90 1fo5 h ALA 70 Ca 0.00 -0.21 -0.43 0.00 0.00 0.00 0.00 54.91 54.27 1fo5 h ALA 70 Cb 0.00 -0.10 0.18 0.00 0.00 0.00 0.00 17.79 17.87 1fo5 h ALA 70 CO 0.00 0.39 0.26 -1.25 0.00 0.00 0.00 179.25 178.64 1fo5 s PRO 71 N -4.76 -0.39 0.47 0.00 0.04 -1.26 -4.81 135.00 124.29 1fo5 s PRO 71 Ca -0.06 -0.20 -0.08 0.00 0.04 0.00 0.00 61.00 60.70 1fo5 s PRO 71 Cb 0.15 -1.71 0.12 0.00 0.04 0.00 0.00 34.50 33.11 1fo5 s PRO 71 CO 0.74 -3.14 0.29 0.25 0.04 0.00 0.00 177.00 175.18 1fo5 n THR 72 N -4.32 0.00 0.75 1.26 -2.24 -1.26 -4.49 114.28 103.97 1fo5 n THR 72 Ca 0.14 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 1fo5 n THR 72 Cb 0.59 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.43 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 -3.19 0.74 -0.17 -0.78 3.00 -1.26 -4.46 118.16 112.05 1fo5 n LYS 73 Ca 0.05 0.00 0.03 0.00 -0.00 0.00 0.00 58.31 58.39 1fo5 n LYS 73 Cb 0.19 -1.36 0.07 0.00 0.00 0.00 0.00 35.03 33.93 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 0.12 -0.04 0.08 1.64 4.71 -1.26 -0.37 120.64 125.51 1fo5 n GLU 74 Ca 0.00 0.73 -0.13 0.00 -0.01 0.00 0.00 57.16 57.75 1fo5 n GLU 74 Cb 0.18 -1.09 -0.07 0.00 -1.01 0.00 0.00 31.44 29.45 1fo5 n GLU 74 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1fo5 h ALA 75 N 0.94 -0.11 0.00 0.62 0.00 -1.88 -1.83 119.26 117.00 1fo5 h ALA 75 Ca 0.23 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 1fo5 h ALA 75 Cb 0.37 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1fo5 h ALA 75 CO -0.48 -0.55 -0.58 -0.07 0.00 0.00 0.00 179.25 177.57 1fo5 h LEU 76 N -0.12 0.00 0.00 0.00 -0.00 -1.10 -3.13 115.31 110.96 1fo5 h LEU 76 Ca -0.01 0.00 0.03 0.00 -0.00 0.00 0.00 57.88 57.90 1fo5 h LEU 76 Cb 0.10 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 40.72 1fo5 h LEU 76 CO 0.02 0.58 -0.22 0.58 -0.00 0.00 0.00 178.44 179.40 1fo5 h VAL 77 N 0.00 0.49 0.00 1.22 2.07 -0.86 0.11 116.25 119.27 1fo5 h VAL 77 Ca -0.01 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 1fo5 h VAL 77 Cb 1.15 0.49 -0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1fo5 h VAL 77 CO 0.08 0.00 -0.14 -0.08 0.02 0.00 0.00 177.57 177.44 1fo5 h GLU 78 N -0.35 0.00 0.13 1.57 4.57 -1.33 -1.77 114.58 117.40 1fo5 h GLU 78 Ca 0.06 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.23 1fo5 h GLU 78 Cb 0.43 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.02 1fo5 h GLU 78 CO -0.20 0.14 -0.06 0.00 -1.18 0.00 0.00 179.01 177.71 1fo5 h ALA 79 N 1.86 -0.49 0.00 2.92 0.00 -1.36 -3.31 119.26 118.88 1fo5 h ALA 79 Ca -0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1fo5 h ALA 79 Cb 0.28 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1fo5 h ALA 79 CO 0.02 -0.48 -0.01 -0.84 0.00 0.00 0.00 179.25 177.94 1fo5 h ILE 80 N -0.34 0.61 -0.08 0.00 3.07 -0.61 0.68 117.51 120.84 1fo5 h ILE 80 Ca -0.02 -0.04 -0.09 0.00 1.55 0.00 0.00 64.86 66.27 1fo5 h ILE 80 Cb 0.14 1.02 -0.01 0.00 -0.27 0.00 0.00 36.82 37.70 1fo5 h ILE 80 CO 0.03 0.01 -0.35 0.07 -1.05 0.00 0.00 178.15 176.86 1fo5 h LYS 81 N 0.00 0.16 0.05 0.16 2.10 -1.49 -2.85 116.57 114.70 1fo5 h LYS 81 Ca -0.00 -0.06 -0.26 0.00 -2.00 0.00 0.00 60.65 58.32 1fo5 h LYS 81 Cb 0.02 -0.01 0.02 0.00 -0.90 0.00 0.00 32.23 31.37 1fo5 h LYS 81 CO 0.00 0.49 -1.06 1.57 -2.00 0.00 0.00 179.45 178.45 1fo5 h LYS 82 N 0.14 0.63 0.00 0.07 5.09 -0.98 -3.40 116.57 118.11 1fo5 h LYS 82 Ca 0.02 -0.75 0.00 0.00 0.09 0.00 0.00 60.65 60.01 1fo5 h LYS 82 Cb 0.68 0.23 0.00 0.00 0.10 0.00 0.00 32.23 33.24 1fo5 h LYS 82 CO 0.05 1.32 0.00 -2.13 -2.09 0.00 0.00 179.45 176.60 1fo5 n ARG 83 N -3.89 0.00 0.00 0.07 0.63 -0.67 -5.03 116.66 107.77 1fo5 n ARG 83 Ca -0.12 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.81 1fo5 n ARG 83 Cb 0.90 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.81 1fo5 n ARG 83 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01