#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 0.00 -4.01 7.83 7.64 -1.26 -5.05 113.62 118.77 1fo5 n SER 1 Ca 0.00 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.62 1fo5 n SER 1 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 1fo5 n SER 1 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1fo5 n LYS 2 N -0.48 -0.93 -2.52 1.43 3.00 -1.26 -4.89 118.16 112.50 1fo5 n LYS 2 Ca 0.00 0.07 -0.36 0.00 -0.00 0.00 0.00 58.31 58.03 1fo5 n LYS 2 Cb 0.00 -2.93 -0.04 0.00 0.00 0.00 0.00 35.03 32.07 1fo5 n LYS 2 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1fo5 s VAL 3 N -4.14 3.70 0.29 3.15 1.01 -0.29 -4.90 120.40 119.22 1fo5 s VAL 3 Ca 0.01 1.20 0.10 0.00 0.00 0.00 0.00 61.98 63.29 1fo5 s VAL 3 Cb -0.01 -3.57 -0.05 0.00 0.00 0.00 0.00 36.38 32.76 1fo5 s VAL 3 CO 0.83 -0.09 -0.04 -0.54 0.00 0.00 0.00 175.10 175.26 1fo5 s LYS 4 N -2.80 2.10 -0.00 2.72 3.01 -0.58 -0.53 119.74 123.67 1fo5 s LYS 4 Ca 0.62 -1.59 0.00 0.00 -1.01 0.00 0.00 55.97 54.00 1fo5 s LYS 4 Cb -0.20 -2.01 0.00 0.00 -1.01 0.00 0.00 37.83 34.60 1fo5 s LYS 4 CO 0.25 0.29 -0.01 -1.50 0.51 0.00 0.00 175.35 174.89 1fo5 s ILE 5 N -2.42 0.05 -0.01 2.17 2.07 0.15 -2.49 121.20 120.73 1fo5 s ILE 5 Ca 0.32 -0.01 0.05 0.00 -1.41 0.00 0.00 60.65 59.60 1fo5 s ILE 5 Cb -0.04 -0.06 -0.01 0.00 0.13 0.00 0.00 42.46 42.47 1fo5 s ILE 5 CO 0.19 0.02 -0.15 -1.61 -1.91 0.00 0.00 174.94 171.48 1fo5 s GLU 6 N 0.07 1.22 -0.47 3.50 2.02 -0.40 -0.80 118.70 123.84 1fo5 s GLU 6 Ca -0.00 -0.57 0.03 0.00 0.02 0.00 0.00 54.97 54.44 1fo5 s GLU 6 Cb -0.01 -1.18 0.14 0.00 0.10 0.00 0.00 34.13 33.17 1fo5 s GLU 6 CO -0.00 0.32 0.26 -0.51 0.02 0.00 0.00 175.26 175.35 1fo5 s LEU 7 N -0.43 3.05 -1.06 1.80 2.01 -0.05 -1.71 118.68 122.29 1fo5 s LEU 7 Ca 0.06 -2.76 -0.09 0.00 0.01 0.00 0.00 54.13 51.34 1fo5 s LEU 7 Cb -0.06 -1.15 0.27 0.00 0.01 0.00 0.00 46.19 45.25 1fo5 s LEU 7 CO -0.00 -0.25 1.05 0.12 1.01 0.00 0.00 176.35 178.28 1fo5 s PHE 8 N 0.15 4.19 0.34 0.29 2.19 -0.30 -1.19 117.98 123.65 1fo5 s PHE 8 Ca 0.18 -2.63 0.06 0.00 0.33 0.00 0.00 56.93 54.87 1fo5 s PHE 8 Cb -0.23 -3.80 -0.03 0.00 -1.31 0.00 0.00 43.02 37.65 1fo5 s PHE 8 CO -0.01 -0.94 0.23 0.95 1.83 0.00 0.00 175.22 177.28 1fo5 s THR 9 N -1.09 0.14 0.09 0.12 -4.23 -1.24 -1.36 115.64 108.06 1fo5 s THR 9 Ca 0.29 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.84 1fo5 s THR 9 Cb -0.10 -2.46 -0.03 0.00 1.34 0.00 0.00 72.50 71.25 1fo5 s THR 9 CO -0.08 0.00 -0.11 -0.94 -0.54 0.00 0.00 174.62 172.94 1fo5 s SER 10 N -3.42 1.52 -0.86 3.99 1.04 -1.26 -0.78 113.70 113.93 1fo5 s SER 10 Ca 0.36 -0.76 -0.25 0.00 0.48 0.00 0.00 55.95 55.79 1fo5 s SER 10 Cb 0.03 -0.01 0.01 0.00 0.10 0.00 0.00 66.02 66.15 1fo5 s SER 10 CO 0.24 -0.21 1.59 -2.16 0.98 0.00 0.00 173.24 173.68 1fo5 s PRO 11 N -2.49 3.09 0.46 4.02 0.04 -1.26 -4.79 135.00 134.07 1fo5 s PRO 11 Ca 0.03 -0.42 0.13 0.00 0.04 0.00 0.00 61.00 60.77 1fo5 s PRO 11 Cb -0.05 -4.84 1.06 0.00 0.04 0.00 0.00 34.50 30.71 1fo5 s PRO 11 CO 0.01 -2.56 2.07 0.52 0.04 0.00 0.00 177.00 177.09 1fo5 h MET 12 N 11.06 0.18 0.00 4.56 2.86 -1.60 -3.47 114.93 128.51 1fo5 h MET 12 Ca -0.02 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1fo5 h MET 12 Cb 1.04 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.67 1fo5 h MET 12 CO 1.31 0.17 0.00 0.00 1.06 0.00 0.00 176.91 179.45 1fo5 n PRO 14 N 0.00 0.00 -2.08 0.00 -0.04 -1.26 -4.53 135.00 127.09 1fo5 n PRO 14 Ca 0.00 0.35 -0.42 0.00 -0.04 0.00 0.00 63.50 63.39 1fo5 n PRO 14 Cb 0.00 -1.23 -0.03 0.00 -0.04 0.00 0.00 33.50 32.20 1fo5 n PRO 14 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1fo5 s HIS 15 N -1.99 3.12 0.00 0.54 -3.43 -1.26 -4.83 115.29 107.45 1fo5 s HIS 15 Ca 0.00 0.80 0.00 0.00 -0.80 0.00 0.00 55.06 55.06 1fo5 s HIS 15 Cb 0.00 -3.78 0.00 0.00 -1.43 0.00 0.00 32.58 27.37 1fo5 s HIS 15 CO 0.00 -2.81 0.00 0.00 -2.00 0.00 0.00 174.74 169.93 1fo5 h PRO 17 N 0.00 0.00 0.00 0.00 0.13 -1.96 -3.44 132.00 126.73 1fo5 h PRO 17 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1fo5 h PRO 17 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1fo5 h PRO 17 CO 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 177.77 1fo5 n ALA 18 N -2.01 0.00 -0.10 -0.56 0.00 -1.26 -0.42 120.51 116.16 1fo5 n ALA 18 Ca -0.02 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.53 1fo5 n ALA 18 Cb 0.10 0.00 0.48 0.00 0.00 0.00 0.00 19.45 20.03 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 0.00 1.98 -0.22 0.00 0.00 -1.94 -1.74 119.26 117.34 1fo5 h ALA 19 Ca 0.00 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.95 1fo5 h ALA 19 Cb 0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 1fo5 h ALA 19 CO 0.00 -0.11 -0.11 0.87 0.00 0.00 0.00 179.25 179.90 1fo5 h LYS 20 N 0.45 -0.08 -0.08 0.00 6.56 -1.11 0.34 116.57 122.65 1fo5 h LYS 20 Ca 0.29 0.01 -0.02 0.00 -1.06 0.00 0.00 60.65 59.86 1fo5 h LYS 20 Cb 0.52 0.02 -0.00 0.00 -0.57 0.00 0.00 32.23 32.20 1fo5 h LYS 20 CO -0.08 -0.05 -0.03 0.00 -2.06 0.00 0.00 179.45 177.22 1fo5 h ARG 21 N -0.08 0.17 -0.38 3.15 3.08 -1.60 -1.77 114.38 116.95 1fo5 h ARG 21 Ca 0.12 -0.07 -0.06 0.00 0.07 0.00 0.00 59.98 60.04 1fo5 h ARG 21 Cb 0.26 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 1fo5 h ARG 21 CO -0.27 0.52 -0.03 0.28 -1.07 0.00 0.00 179.97 179.40 1fo5 h VAL 22 N -0.19 1.22 -0.13 2.04 2.07 -0.45 0.10 116.25 120.91 1fo5 h VAL 22 Ca 0.02 -0.92 -0.22 0.00 0.82 0.00 0.00 66.70 66.41 1fo5 h VAL 22 Cb 0.47 0.96 0.01 0.00 -1.52 0.00 0.00 31.29 31.21 1fo5 h VAL 22 CO 0.01 0.31 -0.78 -0.37 0.02 0.00 0.00 177.57 176.76 1fo5 h VAL 23 N 0.58 1.30 -0.85 2.57 -1.51 -0.46 -1.58 116.25 116.31 1fo5 h VAL 23 Ca 0.12 -2.04 0.16 0.00 -1.23 0.00 0.00 66.70 63.71 1fo5 h VAL 23 Cb 0.41 2.04 -0.10 0.00 -2.13 0.00 0.00 31.29 31.51 1fo5 h VAL 23 CO 0.02 0.64 0.41 -0.08 -1.23 0.00 0.00 177.57 177.33 1fo5 h GLU 24 N 0.46 0.53 0.12 5.19 4.22 -0.57 0.29 114.58 124.82 1fo5 h GLU 24 Ca -0.05 -0.03 -0.27 0.00 0.08 0.00 0.00 59.36 59.09 1fo5 h GLU 24 Cb 1.40 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1fo5 h GLU 24 CO 0.15 0.35 -1.23 1.49 -2.18 0.00 0.00 179.01 177.60 1fo5 h GLU 25 N 0.55 0.25 -0.34 1.92 4.57 -0.62 0.76 114.58 121.66 1fo5 h GLU 25 Ca 0.48 -0.42 -0.17 0.00 -1.18 0.00 0.00 59.36 58.07 1fo5 h GLU 25 Cb 0.75 0.16 -0.00 0.00 -0.16 0.00 0.00 28.75 29.50 1fo5 h GLU 25 CO -0.41 1.20 -0.45 -0.39 -1.18 0.00 0.00 179.01 177.78 1fo5 h VAL 26 N 0.07 1.27 0.00 0.32 -1.51 -1.12 -3.22 116.25 112.05 1fo5 h VAL 26 Ca -0.12 -1.62 -0.05 0.00 -1.23 0.00 0.00 66.70 63.67 1fo5 h VAL 26 Cb 1.95 1.49 -0.01 0.00 -2.13 0.00 0.00 31.29 32.59 1fo5 h VAL 26 CO 0.20 0.54 -0.26 0.00 -1.23 0.00 0.00 177.57 176.82 1fo5 h ALA 27 N 0.73 0.98 0.28 5.19 0.00 -0.92 -1.13 119.26 124.40 1fo5 h ALA 27 Ca 0.04 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1fo5 h ALA 27 Cb 1.05 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 1fo5 h ALA 27 CO 0.11 0.32 -0.50 -0.97 0.00 0.00 0.00 179.25 178.20 1fo5 h ASN 28 N 0.00 -1.46 -0.01 0.00 -1.24 -0.86 -2.46 115.58 109.56 1fo5 h ASN 28 Ca -0.00 0.14 -0.01 0.00 0.71 0.00 0.00 56.30 57.14 1fo5 h ASN 28 Cb 0.83 0.51 -0.00 0.00 0.73 0.00 0.00 38.32 40.39 1fo5 h ASN 28 CO 0.03 -0.59 -0.02 -0.33 -1.29 0.00 0.00 177.43 175.24 1fo5 h GLU 29 N -0.84 0.04 -2.80 6.67 4.39 -1.53 -3.41 114.58 117.10 1fo5 h GLU 29 Ca -0.03 -0.02 -0.60 0.00 0.34 0.00 0.00 59.36 59.05 1fo5 h GLU 29 Cb 0.79 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 29.04 1fo5 h GLU 29 CO -0.18 0.54 -0.78 -1.64 -1.16 0.00 0.00 179.01 175.78 1fo5 s MET 30 N -4.16 1.26 -1.11 2.33 -1.94 -0.44 -5.00 119.30 110.24 1fo5 s MET 30 Ca -0.16 -2.13 -0.12 0.00 -1.71 0.00 0.00 55.69 51.57 1fo5 s MET 30 Cb 0.02 -2.13 -0.07 0.00 2.01 0.00 0.00 34.83 34.65 1fo5 s MET 30 CO 0.68 -1.24 2.24 -0.35 -0.01 0.00 0.00 175.02 176.35 1fo5 n PRO 31 N 3.22 2.37 0.01 2.03 -0.04 -0.93 -3.51 135.00 138.15 1fo5 n PRO 31 Ca 0.16 -1.90 0.00 0.00 -0.04 0.00 0.00 63.50 61.71 1fo5 n PRO 31 Cb 0.38 -2.79 0.00 0.00 -0.04 0.00 0.00 33.50 31.05 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 5.30 -0.12 -2.62 3.54 2.03 -1.26 -5.01 116.55 118.41 1fo5 n ASP 32 Ca 0.54 0.24 -0.22 0.00 0.52 0.00 0.00 54.79 55.86 1fo5 n ASP 32 Cb 0.27 0.33 -0.10 0.00 -0.72 0.00 0.00 41.12 40.91 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 -2.21 6.41 -3.67 -1.67 0.00 -1.23 -4.77 120.51 113.37 1fo5 n ALA 33 Ca 0.00 -2.39 -0.14 0.00 0.00 0.00 0.00 53.44 50.91 1fo5 n ALA 33 Cb 0.00 -2.78 -0.15 0.00 0.00 0.00 0.00 19.45 16.52 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 1.76 -0.05 0.12 0.00 0.11 -1.24 -1.14 120.40 119.97 1fo5 s VAL 34 Ca 0.62 0.18 0.09 0.00 -2.93 0.00 0.00 61.98 59.94 1fo5 s VAL 34 Cb 0.23 -0.16 -0.04 0.00 -1.53 0.00 0.00 36.38 34.88 1fo5 s VAL 34 CO -0.03 0.07 -0.22 -1.61 -3.33 0.00 0.00 175.10 169.99 1fo5 s GLU 35 N 1.02 1.23 0.01 1.54 2.02 0.31 -4.94 118.70 119.90 1fo5 s GLU 35 Ca -0.08 -1.26 0.00 0.00 0.02 0.00 0.00 54.97 53.65 1fo5 s GLU 35 Cb -0.11 -1.52 -0.01 0.00 0.10 0.00 0.00 34.13 32.59 1fo5 s GLU 35 CO -0.04 0.35 -0.02 0.14 0.02 0.00 0.00 175.26 175.71 1fo5 s VAL 36 N -1.29 0.10 -0.05 2.63 -7.23 -1.26 -0.68 120.40 112.63 1fo5 s VAL 36 Ca 0.10 -0.51 -0.01 0.00 -1.81 0.00 0.00 61.98 59.76 1fo5 s VAL 36 Cb -0.09 -0.17 0.03 0.00 0.56 0.00 0.00 36.38 36.70 1fo5 s VAL 36 CO 0.05 -0.26 0.02 -1.61 -0.31 0.00 0.00 175.10 172.99 1fo5 s GLU 37 N -0.80 0.29 -0.31 4.82 2.02 0.02 -4.94 118.70 119.82 1fo5 s GLU 37 Ca -0.08 0.17 0.02 0.00 0.02 0.00 0.00 54.97 55.10 1fo5 s GLU 37 Cb -0.05 -0.65 0.07 0.00 0.10 0.00 0.00 34.13 33.60 1fo5 s GLU 37 CO -0.00 -0.25 -0.01 -0.47 0.02 0.00 0.00 175.26 174.55 1fo5 s TYR 38 N 1.67 3.44 -0.48 1.61 5.04 -1.26 -0.87 117.35 126.50 1fo5 s TYR 38 Ca -0.01 -2.43 0.03 0.00 -2.44 0.00 0.00 57.07 52.22 1fo5 s TYR 38 Cb -0.13 -2.39 0.15 0.00 0.35 0.00 0.00 41.96 39.94 1fo5 s TYR 38 CO -0.03 -0.89 0.30 0.96 -1.34 0.00 0.00 175.55 174.54 1fo5 s ILE 39 N 1.08 1.44 0.41 3.14 -0.00 -0.33 -5.00 121.20 121.94 1fo5 s ILE 39 Ca -0.01 -2.83 -0.26 0.00 -0.00 0.00 0.00 60.65 57.55 1fo5 s ILE 39 Cb -0.20 -1.99 -0.10 0.00 -0.00 0.00 0.00 42.46 40.17 1fo5 s ILE 39 CO -0.05 -0.97 1.37 -0.46 -0.00 0.00 0.00 174.94 174.83 1fo5 n ASN 40 N 3.19 3.07 -4.57 4.36 6.94 -1.26 -3.67 115.26 123.32 1fo5 n ASN 40 Ca 0.14 1.15 -0.23 0.00 -0.02 0.00 0.00 54.58 55.62 1fo5 n ASN 40 Cb 0.37 -1.55 -0.07 0.00 -2.36 0.00 0.00 39.78 36.16 1fo5 n ASN 40 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1fo5 s VAL 41 N -1.17 3.33 -0.18 3.53 1.01 0.04 -4.67 120.40 122.28 1fo5 s VAL 41 Ca 0.59 -0.42 -0.35 0.00 0.00 0.00 0.00 61.98 61.79 1fo5 s VAL 41 Cb -0.49 -4.01 0.15 0.00 0.00 0.00 0.00 36.38 32.03 1fo5 s VAL 41 CO 0.60 -0.63 1.38 -0.32 0.00 0.00 0.00 175.10 176.12 1fo5 s MET 42 N 7.44 0.08 -1.28 2.72 0.00 -1.26 -4.97 119.30 122.03 1fo5 s MET 42 Ca 0.76 -0.04 0.00 0.00 0.00 0.00 0.00 55.69 56.41 1fo5 s MET 42 Cb -0.06 0.03 0.00 0.00 0.00 0.00 0.00 34.83 34.81 1fo5 s MET 42 CO 0.09 -0.04 0.00 -1.91 0.00 0.00 0.00 175.02 173.16 1fo5 n GLU 43 N -0.25 -1.44 -3.88 4.11 2.13 -1.26 -4.89 120.64 115.16 1fo5 n GLU 43 Ca -0.02 0.77 -0.11 0.00 0.66 0.00 0.00 57.16 58.46 1fo5 n GLU 43 Cb 0.60 -4.98 -0.13 0.00 0.27 0.00 0.00 31.44 27.20 1fo5 n GLU 43 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 1fo5 s ASN 44 N -2.09 0.02 1.13 4.31 3.84 -1.26 -5.16 114.94 115.74 1fo5 s ASN 44 Ca 0.00 -0.06 -0.12 0.00 0.21 0.00 0.00 52.86 52.89 1fo5 s ASN 44 Cb 0.00 0.08 0.27 0.00 -0.55 0.00 0.00 41.25 41.05 1fo5 s ASN 44 CO 0.00 -0.09 1.04 -2.16 -2.79 0.00 0.00 177.10 173.11 1fo5 s PRO 45 N -0.34 -0.66 -0.01 0.43 0.04 -1.26 -4.89 135.00 128.31 1fo5 s PRO 45 Ca -0.04 0.89 0.00 0.00 0.04 0.00 0.00 61.00 61.89 1fo5 s PRO 45 Cb -0.03 -1.58 0.02 0.00 0.04 0.00 0.00 34.50 32.96 1fo5 s PRO 45 CO -0.00 -3.56 0.63 1.04 0.04 0.00 0.00 177.00 175.15 1fo5 n GLN 46 N -4.81 1.11 0.02 4.56 6.02 -1.26 -4.08 117.38 118.94 1fo5 n GLN 46 Ca 0.04 -0.10 0.19 0.00 -0.01 0.00 0.00 57.00 57.13 1fo5 n GLN 46 Cb 0.54 -1.42 0.69 0.00 1.02 0.00 0.00 30.24 31.07 1fo5 n GLN 46 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 177.06 177.62 1fo5 h LYS 47 N 0.13 0.00 0.08 -1.09 -0.00 -2.02 -0.08 116.57 113.59 1fo5 h LYS 47 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 60.65 60.30 1fo5 h LYS 47 Cb 0.44 0.00 -0.03 0.00 -0.00 0.00 0.00 32.23 32.64 1fo5 h LYS 47 CO 0.01 0.00 -1.99 0.00 -0.00 0.00 0.00 179.45 177.47 1fo5 n ALA 48 N -2.62 1.08 0.33 0.07 0.00 -1.26 -4.47 120.51 113.64 1fo5 n ALA 48 Ca 0.09 -0.69 0.08 0.00 0.00 0.00 0.00 53.44 52.91 1fo5 n ALA 48 Cb 0.57 -0.65 0.35 0.00 0.00 0.00 0.00 19.45 19.72 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 -3.35 0.08 0.32 0.00 2.81 -0.25 -1.48 117.12 115.24 1fo5 n MET 49 Ca -0.30 0.40 0.21 0.00 -1.81 0.00 0.00 57.70 56.20 1fo5 n MET 49 Cb 1.05 -1.68 1.08 0.00 -0.71 0.00 0.00 33.22 32.96 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 -7.17 0.03 4.11 -1.31 -3.43 114.58 106.81 1fo5 h GLU 50 Ca 0.00 0.00 -0.54 0.00 0.07 0.00 0.00 59.36 58.89 1fo5 h GLU 50 Cb 0.21 0.00 0.16 0.00 0.50 0.00 0.00 28.75 29.61 1fo5 h GLU 50 CO 0.00 0.00 0.40 0.71 0.07 0.00 0.00 179.01 180.19 1fo5 s TYR 51 N -4.01 2.05 0.55 2.06 2.02 -0.55 -4.91 117.35 114.56 1fo5 s TYR 51 Ca -0.03 1.59 -0.21 0.00 -0.37 0.00 0.00 57.07 58.05 1fo5 s TYR 51 Cb 0.12 -3.49 -0.05 0.00 -0.40 0.00 0.00 41.96 38.14 1fo5 s TYR 51 CO 0.43 -2.64 1.31 0.20 -1.57 0.00 0.00 175.55 173.28 1fo5 s GLY 52 N -1.97 2.86 -0.16 0.71 0.00 -1.26 -1.36 107.32 106.14 1fo5 s GLY 52 Ca 0.75 1.24 0.00 0.00 0.00 0.00 0.00 44.72 46.71 1fo5 s GLY 52 CO 0.45 1.73 0.00 0.29 0.00 0.00 0.00 173.10 175.56 1fo5 n ILE 53 N -1.13 0.00 -4.02 0.90 -5.35 -1.26 -0.85 119.36 107.64 1fo5 n ILE 53 Ca 0.11 0.00 -0.37 0.00 -0.27 0.00 0.00 62.75 62.22 1fo5 n ILE 53 Cb 0.46 -0.28 0.01 0.00 -1.74 0.00 0.00 39.64 38.08 1fo5 n ILE 53 CO 0.00 0.00 0.00 0.80 -1.76 0.00 0.00 176.55 175.59 1fo5 n MET 54 N -0.31 -0.41 -1.63 6.28 0.00 -0.46 -4.76 117.12 115.82 1fo5 n MET 54 Ca -0.02 -0.05 -0.48 0.00 -0.00 0.00 0.00 57.70 57.15 1fo5 n MET 54 Cb 0.12 -1.85 -0.05 0.00 0.00 0.00 0.00 33.22 31.44 1fo5 n MET 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1fo5 n ALA 55 N -4.24 1.06 -2.45 -5.12 0.00 -0.03 -4.97 120.51 104.74 1fo5 n ALA 55 Ca -0.10 0.16 -0.30 0.00 0.00 0.00 0.00 53.44 53.20 1fo5 n ALA 55 Cb 0.46 -2.57 -0.12 0.00 0.00 0.00 0.00 19.45 17.21 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 5.18 2.67 0.14 0.00 1.01 -1.26 -3.56 120.40 124.58 1fo5 s VAL 56 Ca 0.96 -1.48 -0.30 0.00 0.00 0.00 0.00 61.98 61.16 1fo5 s VAL 56 Cb -0.66 -2.19 -0.07 0.00 0.00 0.00 0.00 36.38 33.46 1fo5 s VAL 56 CO 0.49 0.17 1.24 -2.16 0.00 0.00 0.00 175.10 174.84 1fo5 s PRO 57 N -1.92 4.43 -0.12 2.72 0.04 -1.26 -4.79 135.00 134.10 1fo5 s PRO 57 Ca 0.16 1.90 -0.29 0.00 0.04 0.00 0.00 61.00 62.81 1fo5 s PRO 57 Cb -0.10 -3.27 -0.03 0.00 0.04 0.00 0.00 34.50 31.14 1fo5 s PRO 57 CO 0.08 -0.22 1.43 0.99 0.04 0.00 0.00 177.00 179.32 1fo5 s THR 58 N 0.51 3.98 -0.03 1.26 2.01 -0.47 -4.36 115.64 118.54 1fo5 s THR 58 Ca 0.57 1.18 0.06 0.00 0.31 0.00 0.00 61.69 63.81 1fo5 s THR 58 Cb -0.33 -3.77 -0.01 0.00 0.01 0.00 0.00 72.50 68.40 1fo5 s THR 58 CO 0.33 -0.12 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.31 1fo5 s ILE 59 N 3.77 1.67 -0.09 1.82 -1.09 -0.33 -1.14 121.20 125.82 1fo5 s ILE 59 Ca 0.63 -0.88 0.03 0.00 -2.23 0.00 0.00 60.65 58.20 1fo5 s ILE 59 Cb -0.26 -1.41 -0.02 0.00 -1.58 0.00 0.00 42.46 39.19 1fo5 s ILE 59 CO 0.21 0.47 -0.16 -0.69 -1.23 0.00 0.00 174.94 173.54 1fo5 s VAL 60 N -0.25 2.80 0.07 2.92 1.01 -0.69 -0.72 120.40 125.54 1fo5 s VAL 60 Ca 0.02 -0.78 0.05 0.00 0.00 0.00 0.00 61.98 61.26 1fo5 s VAL 60 Cb -0.10 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.13 1fo5 s VAL 60 CO 0.01 0.56 -0.14 0.27 0.00 0.00 0.00 175.10 175.80 1fo5 s ILE 61 N -0.11 1.06 0.00 2.22 -4.36 -0.83 -1.27 121.20 117.91 1fo5 s ILE 61 Ca -0.02 -1.26 0.00 0.00 -0.26 0.00 0.00 60.65 59.10 1fo5 s ILE 61 Cb -0.14 -1.03 0.00 0.00 1.25 0.00 0.00 42.46 42.55 1fo5 s ILE 61 CO 0.04 -0.22 0.00 -3.20 0.24 0.00 0.00 174.94 171.80 1fo5 n ASN 62 N 1.34 0.00 0.00 4.36 2.85 -1.04 -1.14 115.26 121.63 1fo5 n ASN 62 Ca -0.21 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.26 1fo5 n ASN 62 Cb 0.54 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.56 1fo5 n ASN 62 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1fo5 n GLY 63 N 0.00 0.90 3.83 8.20 0.00 -1.26 -1.53 105.19 115.33 1fo5 n GLY 63 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 6.89 0.15 1.61 2.15 -0.29 -5.03 116.67 122.15 1fo5 s ASP 64 Ca 0.00 1.06 -0.09 0.00 0.43 0.00 0.00 52.55 53.95 1fo5 s ASP 64 Cb 0.00 -2.29 -0.06 0.00 -0.30 0.00 0.00 42.92 40.27 1fo5 s ASP 64 CO 0.00 0.31 0.46 0.54 -0.17 0.00 0.00 175.17 176.31 1fo5 s VAL 65 N -1.08 5.03 -0.06 1.11 0.11 -1.26 -1.96 120.40 122.29 1fo5 s VAL 65 Ca 0.25 0.39 -0.30 0.00 -2.93 0.00 0.00 61.98 59.40 1fo5 s VAL 65 Cb -0.18 -3.64 0.10 0.00 -1.53 0.00 0.00 36.38 31.13 1fo5 s VAL 65 CO 0.15 0.10 1.33 -0.70 -3.33 0.00 0.00 175.10 172.65 1fo5 s GLU 66 N -2.42 0.20 -0.29 1.54 -6.30 0.11 -4.98 118.70 106.55 1fo5 s GLU 66 Ca 0.40 -0.13 -0.17 0.00 -2.50 0.00 0.00 54.97 52.58 1fo5 s GLU 66 Cb -0.13 0.05 0.17 0.00 0.00 0.00 0.00 34.13 34.23 1fo5 s GLU 66 CO 0.21 -0.09 1.10 -0.59 0.02 0.00 0.00 175.26 175.90 1fo5 s PHE 67 N -2.01 -0.37 -0.32 5.30 -0.71 -1.26 -1.18 117.98 117.42 1fo5 s PHE 67 Ca 0.31 0.74 -0.01 0.00 -1.04 0.00 0.00 56.93 56.93 1fo5 s PHE 67 Cb -0.00 0.24 0.11 0.00 -1.21 0.00 0.00 43.02 42.15 1fo5 s PHE 67 CO -0.02 -0.18 0.14 0.42 -1.34 0.00 0.00 175.22 174.24 1fo5 s ILE 68 N 1.15 0.57 0.00 -4.49 1.01 -1.26 -5.02 121.20 113.16 1fo5 s ILE 68 Ca -0.08 -1.38 0.00 0.00 0.00 0.00 0.00 60.65 59.19 1fo5 s ILE 68 Cb -0.03 -1.44 0.00 0.00 0.01 0.00 0.00 42.46 41.00 1fo5 s ILE 68 CO -0.13 -0.76 0.00 0.61 0.00 0.00 0.00 174.94 174.67 1fo5 n GLY 69 N 4.72 -2.07 0.23 6.18 0.00 -1.26 -4.47 105.19 108.51 1fo5 n GLY 69 Ca -0.00 -1.73 -0.16 0.00 0.00 0.00 0.00 46.02 44.13 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 0.39 -2.19 4.61 0.00 -1.99 -3.37 119.26 116.72 1fo5 h ALA 70 Ca 0.00 -0.56 -0.43 0.00 0.00 0.00 0.00 54.91 53.91 1fo5 h ALA 70 Cb 0.00 -0.04 0.18 0.00 0.00 0.00 0.00 17.79 17.92 1fo5 h ALA 70 CO 0.00 0.69 0.15 -1.25 0.00 0.00 0.00 179.25 178.84 1fo5 s PRO 71 N -3.91 -0.49 1.19 0.00 0.04 -1.26 -4.51 135.00 126.06 1fo5 s PRO 71 Ca -0.10 0.24 -0.18 0.00 0.04 0.00 0.00 61.00 61.00 1fo5 s PRO 71 Cb 0.09 -1.65 0.24 0.00 0.04 0.00 0.00 34.50 33.22 1fo5 s PRO 71 CO 0.90 -3.28 0.52 0.25 0.04 0.00 0.00 177.00 175.42 1fo5 n THR 72 N -4.51 0.00 -0.39 1.26 -2.24 -1.26 -4.56 114.28 102.57 1fo5 n THR 72 Ca 0.09 -0.10 -0.02 0.00 -2.27 0.00 0.00 64.05 61.74 1fo5 n THR 72 Cb 0.58 -0.71 -0.04 0.00 -2.10 0.00 0.00 70.33 68.07 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 -3.40 0.78 -0.34 -0.78 4.81 -1.26 -4.58 118.16 113.38 1fo5 n LYS 73 Ca 0.07 -0.21 0.15 0.00 -0.87 0.00 0.00 58.31 57.45 1fo5 n LYS 73 Cb 0.48 -1.42 0.35 0.00 0.02 0.00 0.00 35.03 34.46 1fo5 n LYS 73 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1fo5 h GLU 74 N 3.01 0.67 0.02 1.64 5.08 -1.87 0.18 114.58 123.31 1fo5 h GLU 74 Ca 0.04 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1fo5 h GLU 74 Cb 0.68 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 1fo5 h GLU 74 CO 0.13 0.45 -0.03 0.00 -1.00 0.00 0.00 179.01 178.55 1fo5 h ALA 75 N 1.66 -0.67 0.00 3.43 0.00 -1.87 -1.38 119.26 120.43 1fo5 h ALA 75 Ca 0.59 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.46 1fo5 h ALA 75 Cb 1.01 0.38 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 1fo5 h ALA 75 CO -0.39 -0.67 -0.14 1.25 0.00 0.00 0.00 179.25 179.30 1fo5 h LEU 76 N -0.05 0.00 -1.18 0.00 7.12 -1.80 -1.98 115.31 117.43 1fo5 h LEU 76 Ca -0.00 0.00 -0.05 0.00 0.13 0.00 0.00 57.88 57.96 1fo5 h LEU 76 Cb 0.04 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.15 1fo5 h LEU 76 CO -0.01 0.14 0.00 0.58 -0.13 0.00 0.00 178.44 179.02 1fo5 h VAL 77 N 0.00 1.20 0.00 1.05 2.07 -0.59 0.52 116.25 120.50 1fo5 h VAL 77 Ca -0.00 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 66.70 1fo5 h VAL 77 Cb 0.58 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 1fo5 h VAL 77 CO 0.02 0.28 0.00 -0.08 0.02 0.00 0.00 177.57 177.81 1fo5 h GLU 78 N 0.54 0.00 0.05 1.57 4.81 -0.44 -1.71 114.58 119.39 1fo5 h GLU 78 Ca 0.12 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 59.05 1fo5 h GLU 78 Cb 0.35 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.69 1fo5 h GLU 78 CO 0.01 0.00 -1.64 0.00 -0.73 0.00 0.00 179.01 176.65 1fo5 n ALA 79 N -1.93 0.86 -0.34 2.92 0.00 0.04 -2.89 120.51 119.17 1fo5 n ALA 79 Ca -0.02 -0.58 0.15 0.00 0.00 0.00 0.00 53.44 52.98 1fo5 n ALA 79 Cb 0.06 -0.55 0.35 0.00 0.00 0.00 0.00 19.45 19.32 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 -0.59 0.67 0.00 0.00 3.07 -0.76 0.26 117.51 120.17 1fo5 h ILE 80 Ca -0.41 -0.24 0.00 0.00 1.55 0.00 0.00 64.86 65.76 1fo5 h ILE 80 Cb 1.60 -0.08 0.00 0.00 -0.27 0.00 0.00 36.82 38.07 1fo5 h ILE 80 CO -0.11 0.13 -0.26 2.29 -1.05 0.00 0.00 178.15 179.15 1fo5 n LYS 81 N -4.75 0.08 0.14 0.16 -0.00 -0.68 -2.76 118.16 110.35 1fo5 n LYS 81 Ca 0.24 0.04 -0.14 0.00 -0.00 0.00 0.00 58.31 58.45 1fo5 n LYS 81 Cb 0.62 -1.57 -0.08 0.00 -0.00 0.00 0.00 35.03 34.00 1fo5 n LYS 81 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.40 178.97 1fo5 h LYS 82 N 0.00 -0.35 0.00 -1.58 5.09 -0.45 -3.48 116.57 115.80 1fo5 h LYS 82 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 60.65 60.76 1fo5 h LYS 82 Cb 0.57 0.08 0.00 0.00 0.10 0.00 0.00 32.23 32.98 1fo5 h LYS 82 CO 0.00 -0.05 0.00 -2.13 -2.09 0.00 0.00 179.45 175.18 1fo5 n ARG 83 N -5.13 0.00 0.00 0.07 0.00 0.04 -5.09 116.66 106.55 1fo5 n ARG 83 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.76 1fo5 n ARG 83 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.70 1fo5 n ARG 83 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10