#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 -0.09 0.00 7.83 1.04 -1.26 -5.10 113.70 116.12 1fo5 s SER 1 Ca 0.00 -0.93 0.00 0.00 0.48 0.00 0.00 55.95 55.50 1fo5 s SER 1 Cb 0.00 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.70 1fo5 s SER 1 CO 0.00 -1.14 0.00 1.17 0.98 0.00 0.00 173.24 174.25 1fo5 n LYS 2 N -0.38 0.00 -1.97 4.02 4.81 -1.26 -5.06 118.16 118.32 1fo5 n LYS 2 Ca -0.02 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.00 1fo5 n LYS 2 Cb 0.62 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.64 1fo5 n LYS 2 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1fo5 s VAL 3 N 0.00 2.73 -0.09 3.15 1.01 0.13 -4.87 120.40 122.46 1fo5 s VAL 3 Ca 0.00 0.53 -0.05 0.00 0.00 0.00 0.00 61.98 62.46 1fo5 s VAL 3 Cb 0.00 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 1fo5 s VAL 3 CO 0.00 0.04 0.13 -0.54 0.00 0.00 0.00 175.10 174.73 1fo5 s LYS 4 N 1.12 3.36 -0.40 2.72 3.01 0.13 -1.29 119.74 128.39 1fo5 s LYS 4 Ca 0.69 -0.22 0.02 0.00 -1.01 0.00 0.00 55.97 55.45 1fo5 s LYS 4 Cb -0.43 -3.10 0.15 0.00 -1.01 0.00 0.00 37.83 33.45 1fo5 s LYS 4 CO 0.31 0.74 0.28 0.42 0.51 0.00 0.00 175.35 177.61 1fo5 s ILE 5 N -1.08 0.42 -0.15 2.17 1.09 0.42 -2.41 121.20 121.66 1fo5 s ILE 5 Ca 0.18 -2.27 -0.16 0.00 -1.10 0.00 0.00 60.65 57.29 1fo5 s ILE 5 Cb -0.12 -1.31 -0.04 0.00 -1.06 0.00 0.00 42.46 39.93 1fo5 s ILE 5 CO 0.07 -1.09 0.41 -1.61 -0.10 0.00 0.00 174.94 172.62 1fo5 s GLU 6 N 0.49 4.27 -0.91 2.79 2.02 -0.56 -0.97 118.70 125.83 1fo5 s GLU 6 Ca 0.25 0.28 -0.12 0.00 0.02 0.00 0.00 54.97 55.40 1fo5 s GLU 6 Cb -0.11 -3.46 0.24 0.00 0.10 0.00 0.00 34.13 30.89 1fo5 s GLU 6 CO -0.09 0.12 0.86 -0.51 0.02 0.00 0.00 175.26 175.67 1fo5 s LEU 7 N 0.78 6.62 -0.75 1.80 2.01 -0.31 -1.80 118.68 127.04 1fo5 s LEU 7 Ca 0.21 -2.97 -0.20 0.00 0.01 0.00 0.00 54.13 51.19 1fo5 s LEU 7 Cb -0.14 -2.20 0.11 0.00 0.01 0.00 0.00 46.19 43.96 1fo5 s LEU 7 CO 0.08 -0.48 0.95 0.12 1.01 0.00 0.00 176.35 178.02 1fo5 s PHE 8 N -0.27 2.99 -0.07 0.29 2.19 -0.14 -0.73 117.98 122.24 1fo5 s PHE 8 Ca 0.22 -1.06 -0.32 0.00 0.33 0.00 0.00 56.93 56.10 1fo5 s PHE 8 Cb -0.10 -4.19 0.13 0.00 -1.31 0.00 0.00 43.02 37.55 1fo5 s PHE 8 CO -0.09 -1.46 1.38 -0.08 1.83 0.00 0.00 175.22 176.81 1fo5 s THR 9 N 2.96 0.00 -0.27 0.12 -1.32 -0.85 -1.23 115.64 115.05 1fo5 s THR 9 Ca 0.23 -0.08 -0.03 0.00 -1.21 0.00 0.00 61.69 60.60 1fo5 s THR 9 Cb -0.14 -2.21 0.09 0.00 -1.51 0.00 0.00 72.50 68.74 1fo5 s THR 9 CO 0.01 0.00 0.11 -0.55 -2.21 0.00 0.00 174.62 171.98 1fo5 s SER 10 N -3.19 3.47 -1.18 8.08 0.15 -1.26 -1.59 113.70 118.17 1fo5 s SER 10 Ca 0.18 -1.26 -0.08 0.00 0.70 0.00 0.00 55.95 55.50 1fo5 s SER 10 Cb 0.05 -0.46 -0.10 0.00 -1.71 0.00 0.00 66.02 63.81 1fo5 s SER 10 CO -0.05 -0.42 2.73 -0.81 1.20 0.00 0.00 173.24 175.89 1fo5 n PRO 11 N 5.16 2.92 0.29 5.44 -0.04 -1.26 -4.63 135.00 142.89 1fo5 n PRO 11 Ca -0.05 -1.78 0.16 0.00 -0.04 0.00 0.00 63.50 61.79 1fo5 n PRO 11 Cb 0.43 -2.57 0.91 0.00 -0.04 0.00 0.00 33.50 32.23 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 5.19 0.00 0.00 0.54 4.05 -1.99 0.53 114.93 123.25 1fo5 h MET 12 Ca 0.66 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 60.08 1fo5 h MET 12 Cb 0.38 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.18 1fo5 h MET 12 CO 1.47 0.04 0.00 0.00 0.23 0.00 0.00 176.91 178.65 1fo5 n PRO 14 N -1.54 0.02 -1.95 0.00 -0.04 -1.18 -4.95 135.00 125.36 1fo5 n PRO 14 Ca 0.00 -0.01 -0.14 0.00 -0.04 0.00 0.00 63.50 63.31 1fo5 n PRO 14 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 1fo5 n PRO 14 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1fo5 n HIS 15 N -1.48 -0.84 -1.25 0.54 8.25 0.17 -4.94 115.22 115.66 1fo5 n HIS 15 Ca 0.06 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.17 1fo5 n HIS 15 Cb 0.34 -2.88 0.09 0.00 1.12 0.00 0.00 29.99 28.66 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 -1.74 2.16 0.00 0.00 -0.04 -1.26 -4.79 135.00 129.33 1fo5 n PRO 17 Ca 0.12 -1.37 0.00 0.00 -0.04 0.00 0.00 63.50 62.21 1fo5 n PRO 17 Cb 0.50 -2.34 0.00 0.00 -0.04 0.00 0.00 33.50 31.62 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 3.67 -0.08 -0.21 0.55 0.00 -1.26 -0.41 120.51 122.77 1fo5 n ALA 18 Ca 0.46 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.89 1fo5 n ALA 18 Cb 0.28 0.11 0.09 0.00 0.00 0.00 0.00 19.45 19.94 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 -1.91 0.81 -0.74 0.00 0.00 -1.96 -1.94 119.26 113.53 1fo5 h ALA 19 Ca 0.00 0.04 0.16 0.00 0.00 0.00 0.00 54.91 55.11 1fo5 h ALA 19 Cb 0.00 -0.05 -0.11 0.00 0.00 0.00 0.00 17.79 17.62 1fo5 h ALA 19 CO 0.00 -0.06 0.15 0.87 0.00 0.00 0.00 179.25 180.20 1fo5 h LYS 20 N 0.55 0.22 0.18 0.00 6.56 -1.87 0.37 116.57 122.59 1fo5 h LYS 20 Ca 0.29 -0.01 -0.01 0.00 -1.06 0.00 0.00 60.65 59.86 1fo5 h LYS 20 Cb 0.25 -0.05 0.00 0.00 -0.57 0.00 0.00 32.23 31.86 1fo5 h LYS 20 CO -0.22 0.15 -0.09 0.00 -2.06 0.00 0.00 179.45 177.23 1fo5 h ARG 21 N 0.23 -0.24 -0.99 3.15 3.08 -0.39 -1.41 114.38 117.81 1fo5 h ARG 21 Ca 0.42 0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.52 1fo5 h ARG 21 Cb 0.73 0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.77 1fo5 h ARG 21 CO -0.54 0.12 0.65 0.28 -1.07 0.00 0.00 179.97 179.41 1fo5 h VAL 22 N -0.65 1.17 -0.03 2.04 2.07 -0.23 -0.08 116.25 120.54 1fo5 h VAL 22 Ca -0.03 -0.43 -0.17 0.00 0.82 0.00 0.00 66.70 66.89 1fo5 h VAL 22 Cb 0.47 -0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 1fo5 h VAL 22 CO 0.04 0.23 -0.74 -0.37 0.02 0.00 0.00 177.57 176.75 1fo5 h VAL 23 N 1.26 1.44 -0.46 2.57 -1.51 -0.45 0.15 116.25 119.25 1fo5 h VAL 23 Ca 0.39 -2.30 0.09 0.00 -1.23 0.00 0.00 66.70 63.65 1fo5 h VAL 23 Cb -0.00 2.23 -0.08 0.00 -2.13 0.00 0.00 31.29 31.31 1fo5 h VAL 23 CO -0.12 0.67 -0.06 -0.08 -1.23 0.00 0.00 177.57 176.76 1fo5 h GLU 24 N 0.14 0.05 0.04 5.19 4.81 -0.57 -1.28 114.58 122.97 1fo5 h GLU 24 Ca -0.02 -0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.04 1fo5 h GLU 24 Cb 1.30 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 30.68 1fo5 h GLU 24 CO 0.11 0.04 -0.65 1.49 -0.73 0.00 0.00 179.01 179.27 1fo5 h GLU 25 N 0.05 0.37 0.00 1.92 4.57 -0.44 -0.06 114.58 120.99 1fo5 h GLU 25 Ca 0.23 -0.45 -0.09 0.00 -1.18 0.00 0.00 59.36 57.87 1fo5 h GLU 25 Cb 0.34 0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.06 1fo5 h GLU 25 CO -0.43 1.14 -0.40 -0.39 -1.18 0.00 0.00 179.01 177.74 1fo5 h VAL 26 N -0.19 0.94 0.00 0.32 -1.51 -1.06 -1.88 116.25 112.86 1fo5 h VAL 26 Ca -0.09 -1.61 -0.07 0.00 -1.23 0.00 0.00 66.70 63.69 1fo5 h VAL 26 Cb 1.39 1.97 -0.01 0.00 -2.13 0.00 0.00 31.29 32.52 1fo5 h VAL 26 CO 0.13 0.40 -0.35 0.00 -1.23 0.00 0.00 177.57 176.51 1fo5 h ALA 27 N 1.60 1.07 -0.71 5.19 0.00 -1.09 0.19 119.26 125.50 1fo5 h ALA 27 Ca -0.00 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 1fo5 h ALA 27 Cb 0.94 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1fo5 h ALA 27 CO 0.05 0.44 0.28 -0.97 0.00 0.00 0.00 179.25 179.06 1fo5 h ASN 28 N 0.00 0.98 0.43 0.00 -0.73 -0.24 -2.81 115.58 113.21 1fo5 h ASN 28 Ca -0.00 -0.17 -0.02 0.00 1.87 0.00 0.00 56.30 57.97 1fo5 h ASN 28 Cb 0.82 -0.25 0.00 0.00 0.27 0.00 0.00 38.32 39.15 1fo5 h ASN 28 CO 0.05 0.89 -0.21 -0.33 -0.37 0.00 0.00 177.43 177.46 1fo5 h GLU 29 N 1.02 -0.55 -1.99 6.67 5.08 -1.12 -3.45 114.58 120.23 1fo5 h GLU 29 Ca 0.24 0.04 -0.41 0.00 -1.00 0.00 0.00 59.36 58.22 1fo5 h GLU 29 Cb 0.21 0.13 -0.32 0.00 0.50 0.00 0.00 28.75 29.27 1fo5 h GLU 29 CO -0.02 -0.25 -0.74 -1.64 -1.00 0.00 0.00 179.01 175.36 1fo5 s MET 30 N -4.40 0.74 0.00 2.33 -1.94 0.63 -5.01 119.30 111.65 1fo5 s MET 30 Ca -0.13 -1.21 -0.01 0.00 -1.71 0.00 0.00 55.69 52.63 1fo5 s MET 30 Cb 0.02 -0.85 -0.03 0.00 2.01 0.00 0.00 34.83 35.97 1fo5 s MET 30 CO 0.47 -1.26 1.72 -0.35 -0.01 0.00 0.00 175.02 175.59 1fo5 n PRO 31 N 3.76 0.87 0.08 2.03 -0.04 -1.07 -3.54 135.00 137.10 1fo5 n PRO 31 Ca 0.16 -0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 1fo5 n PRO 31 Cb 0.46 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 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 1.76 -0.97 -1.78 3.54 2.03 -1.26 -4.97 116.55 114.89 1fo5 n ASP 32 Ca 0.05 0.28 -0.06 0.00 0.52 0.00 0.00 54.79 55.57 1fo5 n ASP 32 Cb 0.43 1.12 -0.09 0.00 -0.72 0.00 0.00 41.12 41.86 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 -2.86 5.22 -3.71 -1.67 0.00 -1.23 -4.75 120.51 111.51 1fo5 n ALA 33 Ca 0.00 -0.98 -0.28 0.00 0.00 0.00 0.00 53.44 52.18 1fo5 n ALA 33 Cb 0.00 -1.73 -0.12 0.00 0.00 0.00 0.00 19.45 17.60 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 0.58 1.76 -0.43 0.00 0.11 -1.26 -0.69 120.40 120.47 1fo5 s VAL 34 Ca 0.36 -3.28 -0.22 0.00 -2.93 0.00 0.00 61.98 55.91 1fo5 s VAL 34 Cb 0.17 -2.19 0.02 0.00 -1.53 0.00 0.00 36.38 32.85 1fo5 s VAL 34 CO 0.00 -1.02 0.74 -0.70 -3.33 0.00 0.00 175.10 170.79 1fo5 s GLU 35 N -0.44 3.43 0.02 1.54 2.12 -0.41 -5.03 118.70 119.92 1fo5 s GLU 35 Ca 0.24 -0.11 0.07 0.00 0.36 0.00 0.00 54.97 55.54 1fo5 s GLU 35 Cb -0.10 -3.92 -0.02 0.00 0.26 0.00 0.00 34.13 30.35 1fo5 s GLU 35 CO -0.11 -1.04 -0.22 0.14 -0.54 0.00 0.00 175.26 173.49 1fo5 s VAL 36 N 3.13 1.75 0.00 3.70 -7.23 -1.26 -0.44 120.40 120.05 1fo5 s VAL 36 Ca 0.28 -1.12 -0.24 0.00 -1.81 0.00 0.00 61.98 59.08 1fo5 s VAL 36 Cb -0.13 -1.49 0.05 0.00 0.56 0.00 0.00 36.38 35.37 1fo5 s VAL 36 CO 0.21 0.33 0.54 -0.70 -0.31 0.00 0.00 175.10 175.17 1fo5 s GLU 37 N -0.94 0.98 -0.83 4.82 2.56 -0.14 -4.97 118.70 120.19 1fo5 s GLU 37 Ca 0.08 -0.04 -0.15 0.00 0.00 0.00 0.00 54.97 54.86 1fo5 s GLU 37 Cb -0.09 0.45 0.20 0.00 2.00 0.00 0.00 34.13 36.70 1fo5 s GLU 37 CO 0.01 -0.32 0.80 -0.47 -0.56 0.00 0.00 175.26 174.72 1fo5 s TYR 38 N -1.79 3.65 -1.14 5.30 6.14 -1.26 -1.16 117.35 127.10 1fo5 s TYR 38 Ca -0.09 -1.88 -0.20 0.00 0.64 0.00 0.00 57.07 55.54 1fo5 s TYR 38 Cb -0.01 -3.88 0.07 0.00 0.42 0.00 0.00 41.96 38.56 1fo5 s TYR 38 CO 0.04 -1.06 1.54 0.42 0.64 0.00 0.00 175.55 177.13 1fo5 s ILE 39 N 0.57 4.14 0.06 3.14 -1.09 0.09 -4.95 121.20 123.17 1fo5 s ILE 39 Ca 0.19 -1.42 -0.30 0.00 -2.23 0.00 0.00 60.65 56.89 1fo5 s ILE 39 Cb -0.10 -5.08 -0.09 0.00 -1.58 0.00 0.00 42.46 35.60 1fo5 s ILE 39 CO -0.08 -1.92 1.93 0.21 -1.23 0.00 0.00 174.94 173.85 1fo5 s ASN 40 N 4.42 6.44 -0.82 3.58 2.47 -1.25 -2.01 114.94 127.78 1fo5 s ASN 40 Ca 0.48 2.70 -0.25 0.00 0.42 0.00 0.00 52.86 56.21 1fo5 s ASN 40 Cb 0.01 -2.54 -0.02 0.00 -1.45 0.00 0.00 41.25 37.25 1fo5 s ASN 40 CO -0.02 -1.04 1.82 -0.69 -3.72 0.00 0.00 177.10 173.45 1fo5 s VAL 41 N 3.95 3.49 0.10 -5.21 1.01 -0.62 -4.24 120.40 118.88 1fo5 s VAL 41 Ca 0.86 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.65 1fo5 s VAL 41 Cb -0.44 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 31.78 1fo5 s VAL 41 CO 0.40 -1.11 0.00 0.23 0.00 0.00 0.00 175.10 174.62 1fo5 n MET 42 N 8.99 0.00 -0.08 2.72 2.81 -1.26 -4.56 117.12 125.75 1fo5 n MET 42 Ca 0.31 0.00 0.02 0.00 -1.81 0.00 0.00 57.70 56.22 1fo5 n MET 42 Cb 0.49 0.00 0.03 0.00 -0.71 0.00 0.00 33.22 33.03 1fo5 n MET 42 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 1fo5 n GLU 43 N -2.80 1.48 -1.25 0.03 0.00 -1.26 -5.12 120.64 111.72 1fo5 n GLU 43 Ca 0.00 -1.39 -0.35 0.00 0.00 0.00 0.00 57.16 55.42 1fo5 n GLU 43 Cb 0.00 -0.90 0.11 0.00 0.00 0.00 0.00 31.44 30.64 1fo5 n GLU 43 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 1fo5 n ASN 44 N -0.49 0.76 -4.76 -1.84 2.04 -1.26 -4.99 115.26 104.72 1fo5 n ASN 44 Ca 0.03 0.63 -0.38 0.00 -0.44 0.00 0.00 54.58 54.42 1fo5 n ASN 44 Cb 0.45 -1.46 0.00 0.00 -2.53 0.00 0.00 39.78 36.25 1fo5 n ASN 44 CO 0.00 0.00 0.00 -2.16 -0.44 0.00 0.00 177.26 174.66 1fo5 s PRO 45 N -3.70 3.69 0.00 -0.53 0.04 -1.26 -4.91 135.00 128.32 1fo5 s PRO 45 Ca 0.73 2.01 0.09 0.00 0.04 0.00 0.00 61.00 63.88 1fo5 s PRO 45 Cb -0.32 -2.50 0.40 0.00 0.04 0.00 0.00 34.50 32.12 1fo5 s PRO 45 CO 0.50 -0.68 1.29 1.04 0.04 0.00 0.00 177.00 179.19 1fo5 n GLN 46 N -0.39 0.01 0.27 4.56 3.00 -1.26 -3.58 117.38 119.98 1fo5 n GLN 46 Ca 0.07 0.33 0.18 0.00 -0.01 0.00 0.00 57.00 57.57 1fo5 n GLN 46 Cb 0.46 -1.50 0.95 0.00 0.00 0.00 0.00 30.24 30.15 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 0.00 0.00 0.10 -1.09 5.09 -2.01 0.28 116.57 118.93 1fo5 h LYS 47 Ca 0.00 0.00 -0.37 0.00 0.09 0.00 0.00 60.65 60.37 1fo5 h LYS 47 Cb 0.16 0.00 -0.03 0.00 0.10 0.00 0.00 32.23 32.46 1fo5 h LYS 47 CO 0.00 0.00 -2.08 0.00 -2.09 0.00 0.00 179.45 175.28 1fo5 n ALA 48 N -1.97 1.02 0.21 0.07 0.00 -1.24 -4.55 120.51 114.06 1fo5 n ALA 48 Ca -0.02 -0.70 0.08 0.00 0.00 0.00 0.00 53.44 52.80 1fo5 n ALA 48 Cb 0.08 -0.57 0.39 0.00 0.00 0.00 0.00 19.45 19.34 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 -3.42 0.10 0.27 0.00 2.81 0.56 -0.78 117.12 116.66 1fo5 n MET 49 Ca -0.34 0.51 0.12 0.00 -1.81 0.00 0.00 57.70 56.18 1fo5 n MET 49 Cb 1.04 -1.77 0.74 0.00 -0.71 0.00 0.00 33.22 32.52 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 -6.24 0.03 4.11 -0.86 -3.43 114.58 108.19 1fo5 h GLU 50 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.36 58.87 1fo5 h GLU 50 Cb 0.11 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1fo5 h GLU 50 CO 0.00 0.07 1.21 0.71 0.07 0.00 0.00 179.01 181.07 1fo5 s TYR 51 N -4.56 1.81 -2.00 2.06 2.02 0.04 -4.88 117.35 111.84 1fo5 s TYR 51 Ca -0.04 0.40 0.03 0.00 -0.37 0.00 0.00 57.07 57.08 1fo5 s TYR 51 Cb 0.15 -4.02 0.17 0.00 -0.40 0.00 0.00 41.96 37.86 1fo5 s TYR 51 CO 0.60 -3.53 0.64 0.41 -1.57 0.00 0.00 175.55 172.11 1fo5 n GLY 52 N 4.86 -0.48 0.12 0.71 0.00 -1.26 -1.17 105.19 107.96 1fo5 n GLY 52 Ca 0.21 -0.02 -0.12 0.00 0.00 0.00 0.00 46.02 46.09 1fo5 n GLY 52 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1fo5 h ILE 53 N 0.00 1.03 0.00 -0.61 6.09 -1.94 -3.47 117.51 118.61 1fo5 h ILE 53 Ca 0.00 -0.98 0.00 0.00 -1.37 0.00 0.00 64.86 62.51 1fo5 h ILE 53 Cb 0.00 1.62 0.00 0.00 0.47 0.00 0.00 36.82 38.91 1fo5 h ILE 53 CO 0.00 0.22 0.00 0.23 -3.07 0.00 0.00 178.15 175.53 1fo5 n MET 54 N -4.95 -1.55 -0.52 2.19 2.81 -0.32 -4.94 117.12 109.84 1fo5 n MET 54 Ca -0.09 0.02 -0.26 0.00 -1.81 0.00 0.00 57.70 55.56 1fo5 n MET 54 Cb 0.26 -2.28 0.24 0.00 -0.71 0.00 0.00 33.22 30.72 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 0.26 -3.79 -2.58 3.04 0.00 -1.26 -5.03 120.51 111.15 1fo5 n ALA 55 Ca 0.00 -1.36 -0.09 0.00 0.00 0.00 0.00 53.44 51.99 1fo5 n ALA 55 Cb 0.02 -0.11 -0.08 0.00 0.00 0.00 0.00 19.45 19.28 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 -2.30 0.14 0.08 0.00 -7.23 -1.26 -4.02 120.40 105.82 1fo5 s VAL 56 Ca 0.59 -1.17 -0.31 0.00 -1.81 0.00 0.00 61.98 59.28 1fo5 s VAL 56 Cb -0.08 -1.24 -0.07 0.00 0.56 0.00 0.00 36.38 35.55 1fo5 s VAL 56 CO 0.48 -0.65 1.37 -2.16 -0.31 0.00 0.00 175.10 173.82 1fo5 s PRO 57 N -3.51 4.33 -0.55 4.82 0.04 -1.26 -4.96 135.00 133.91 1fo5 s PRO 57 Ca 0.02 2.00 -0.28 0.00 0.04 0.00 0.00 61.00 62.79 1fo5 s PRO 57 Cb 0.04 -3.35 0.02 0.00 0.04 0.00 0.00 34.50 31.25 1fo5 s PRO 57 CO -0.09 -0.45 1.32 0.99 0.04 0.00 0.00 177.00 178.81 1fo5 s THR 58 N 1.43 3.90 -0.17 1.26 2.01 -0.36 -4.35 115.64 119.36 1fo5 s THR 58 Ca 0.64 0.81 0.01 0.00 0.31 0.00 0.00 61.69 63.45 1fo5 s THR 58 Cb -0.34 -4.54 0.01 0.00 0.01 0.00 0.00 72.50 67.64 1fo5 s THR 58 CO 0.29 -1.20 -0.19 -0.63 -0.69 0.00 0.00 174.62 172.21 1fo5 s ILE 59 N 5.51 2.23 -0.31 1.82 -1.09 -0.49 -0.96 121.20 127.91 1fo5 s ILE 59 Ca 0.49 -0.89 -0.04 0.00 -2.23 0.00 0.00 60.65 57.98 1fo5 s ILE 59 Cb -0.10 -1.94 0.04 0.00 -1.58 0.00 0.00 42.46 38.88 1fo5 s ILE 59 CO 0.26 0.53 0.05 0.54 -1.23 0.00 0.00 174.94 175.09 1fo5 s VAL 60 N 1.17 3.43 0.38 2.92 0.11 -0.74 -0.79 120.40 126.87 1fo5 s VAL 60 Ca 0.02 -1.14 0.07 0.00 -2.93 0.00 0.00 61.98 58.00 1fo5 s VAL 60 Cb -0.14 -2.90 -0.00 0.00 -1.53 0.00 0.00 36.38 31.81 1fo5 s VAL 60 CO -0.09 -0.07 0.49 0.27 -3.33 0.00 0.00 175.10 172.37 1fo5 s ILE 61 N 1.36 3.43 0.00 7.04 -5.25 -1.26 -1.50 121.20 125.02 1fo5 s ILE 61 Ca -0.02 -1.06 0.00 0.00 -0.99 0.00 0.00 60.65 58.58 1fo5 s ILE 61 Cb -0.19 -3.17 0.00 0.00 2.95 0.00 0.00 42.46 42.05 1fo5 s ILE 61 CO 0.01 -0.08 0.00 0.59 -1.79 0.00 0.00 174.94 173.67 1fo5 n ASN 62 N -1.70 0.00 -0.01 4.36 3.02 -1.01 -0.92 115.26 119.00 1fo5 n ASN 62 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.59 1fo5 n ASN 62 Cb 0.59 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.76 1fo5 n ASN 62 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1fo5 n GLY 63 N 0.00 -1.65 0.00 7.41 0.00 -1.26 -0.69 105.19 109.00 1fo5 n GLY 63 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1fo5 n GLY 63 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1fo5 n ASP 64 N 0.00 0.00 0.00 1.61 8.00 -0.09 -5.08 116.55 120.99 1fo5 n ASP 64 Ca 0.00 0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.56 1fo5 n ASP 64 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.60 1fo5 n ASP 64 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1fo5 n VAL 65 N -0.17 0.00 -3.59 2.53 3.14 -1.26 -4.95 118.33 114.03 1fo5 n VAL 65 Ca 0.00 0.00 0.02 0.00 -2.96 0.00 0.00 64.34 61.40 1fo5 n VAL 65 Cb 0.00 0.00 -0.01 0.00 -1.06 0.00 0.00 33.84 32.77 1fo5 n VAL 65 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 1fo5 s GLU 66 N -5.38 0.10 -0.20 1.45 2.56 0.03 -4.93 118.70 112.33 1fo5 s GLU 66 Ca 0.00 -0.05 -0.05 0.00 0.00 0.00 0.00 54.97 54.86 1fo5 s GLU 66 Cb 0.00 0.04 0.10 0.00 2.00 0.00 0.00 34.13 36.27 1fo5 s GLU 66 CO 0.00 -0.05 0.37 -0.59 -0.56 0.00 0.00 175.26 174.44 1fo5 s PHE 67 N -2.12 -0.73 0.01 5.30 -0.71 -1.26 -1.39 117.98 117.08 1fo5 s PHE 67 Ca 0.14 1.19 -0.05 0.00 -1.04 0.00 0.00 56.93 57.17 1fo5 s PHE 67 Cb 0.05 0.14 -0.01 0.00 -1.21 0.00 0.00 43.02 41.99 1fo5 s PHE 67 CO -0.05 -0.54 0.08 0.42 -1.34 0.00 0.00 175.22 173.79 1fo5 s ILE 68 N 2.55 0.10 0.00 -4.49 1.01 -1.26 -5.00 121.20 114.12 1fo5 s ILE 68 Ca 0.03 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 59.86 1fo5 s ILE 68 Cb -0.13 -0.44 0.00 0.00 0.01 0.00 0.00 42.46 41.90 1fo5 s ILE 68 CO -0.13 -0.45 0.00 0.61 0.00 0.00 0.00 174.94 174.97 1fo5 n GLY 69 N 1.40 -0.69 0.10 6.18 0.00 -1.26 -3.55 105.19 107.36 1fo5 n GLY 69 Ca -0.23 -1.70 -0.13 0.00 0.00 0.00 0.00 46.02 43.96 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 0.36 -3.00 4.61 0.00 -2.00 -3.47 119.26 115.76 1fo5 h ALA 70 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 54.91 53.80 1fo5 h ALA 70 Cb 0.00 0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1fo5 h ALA 70 CO 0.00 1.22 0.00 -0.35 0.00 0.00 0.00 179.25 180.12 1fo5 n PRO 71 N -3.37 -0.08 -0.14 0.00 -0.04 -1.26 -4.97 135.00 125.13 1fo5 n PRO 71 Ca -0.12 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.26 1fo5 n PRO 71 Cb 1.02 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 34.55 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 -1.59 0.00 -0.50 0.52 -2.24 -1.26 -4.77 114.28 104.43 1fo5 n THR 72 Ca 0.00 -0.05 -0.05 0.00 -2.27 0.00 0.00 64.05 61.68 1fo5 n THR 72 Cb 0.00 -0.59 -0.07 0.00 -2.10 0.00 0.00 70.33 67.57 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 -2.70 1.00 -0.17 -0.78 4.81 -1.23 -4.54 118.16 114.56 1fo5 n LYS 73 Ca 0.04 -0.43 -0.05 0.00 -0.87 0.00 0.00 58.31 57.00 1fo5 n LYS 73 Cb 0.15 -1.64 0.04 0.00 0.02 0.00 0.00 35.03 33.61 1fo5 n LYS 73 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1fo5 h GLU 74 N 3.73 0.57 -1.00 1.64 4.81 -1.88 0.75 114.58 123.19 1fo5 h GLU 74 Ca 0.08 -0.03 0.17 0.00 -0.13 0.00 0.00 59.36 59.44 1fo5 h GLU 74 Cb 0.80 -0.13 -0.10 0.00 0.63 0.00 0.00 28.75 29.95 1fo5 h GLU 74 CO 0.25 0.37 0.62 0.00 -0.73 0.00 0.00 179.01 179.53 1fo5 h ALA 75 N 1.24 1.63 0.00 2.92 0.00 -1.83 -0.57 119.26 122.65 1fo5 h ALA 75 Ca 0.21 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 1fo5 h ALA 75 Cb 0.05 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1fo5 h ALA 75 CO -0.11 0.04 -1.14 -0.11 0.00 0.00 0.00 179.25 177.93 1fo5 n LEU 76 N -4.71 0.78 -0.29 0.00 -0.00 -0.87 -3.45 117.00 108.46 1fo5 n LEU 76 Ca 0.22 0.30 0.03 0.00 -0.00 0.00 0.00 56.01 56.57 1fo5 n LEU 76 Cb 0.50 -0.04 0.24 0.00 -0.00 0.00 0.00 43.42 44.12 1fo5 n LEU 76 CO 0.24 -0.14 1.25 1.62 -0.00 0.00 0.00 177.39 180.36 1fo5 h VAL 77 N 0.00 1.09 0.00 1.96 3.04 0.66 0.14 116.25 123.14 1fo5 h VAL 77 Ca -0.02 -0.35 0.00 0.00 -1.01 0.00 0.00 66.70 65.32 1fo5 h VAL 77 Cb 1.06 -0.03 0.00 0.00 -2.01 0.00 0.00 31.29 30.31 1fo5 h VAL 77 CO 0.00 0.19 0.00 -0.62 -1.01 0.00 0.00 177.57 176.13 1fo5 n GLU 78 N -4.47 0.52 -0.10 4.17 1.02 -0.66 -1.56 120.64 119.57 1fo5 n GLU 78 Ca 0.13 0.01 -0.20 0.00 -0.02 0.00 0.00 57.16 57.08 1fo5 n GLU 78 Cb 0.17 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.02 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 -1.03 1.68 -0.35 0.62 0.00 0.27 -3.58 120.51 118.12 1fo5 n ALA 79 Ca 0.13 -0.78 0.08 0.00 0.00 0.00 0.00 53.44 52.87 1fo5 n ALA 79 Cb 0.07 0.22 0.25 0.00 0.00 0.00 0.00 19.45 20.00 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 -0.72 0.84 0.00 0.00 3.07 -0.94 0.94 117.51 120.70 1fo5 h ILE 80 Ca -0.46 -0.30 -0.12 0.00 1.55 0.00 0.00 64.86 65.53 1fo5 h ILE 80 Cb 1.37 -0.11 -0.02 0.00 -0.27 0.00 0.00 36.82 37.79 1fo5 h ILE 80 CO -0.28 0.16 -0.59 0.07 -1.05 0.00 0.00 178.15 176.47 1fo5 h LYS 81 N 0.88 0.00 -0.07 0.16 2.10 -1.53 -2.89 116.57 115.23 1fo5 h LYS 81 Ca 0.51 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 59.10 1fo5 h LYS 81 Cb 0.61 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.93 1fo5 h LYS 81 CO -0.31 0.59 -0.21 1.57 -2.00 0.00 0.00 179.45 179.09 1fo5 h LYS 82 N 0.00 0.11 -0.06 0.07 5.09 -0.90 -1.63 116.57 119.26 1fo5 h LYS 82 Ca -0.01 -0.03 0.00 0.00 0.09 0.00 0.00 60.65 60.71 1fo5 h LYS 82 Cb 1.10 -0.01 0.00 0.00 0.10 0.00 0.00 32.23 33.41 1fo5 h LYS 82 CO 0.08 0.32 0.00 0.54 -2.09 0.00 0.00 179.45 178.30 1fo5 n ARG 83 N -4.25 0.58 0.00 0.07 1.74 -0.71 -5.08 116.66 109.02 1fo5 n ARG 83 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1fo5 n ARG 83 Cb 0.30 -1.03 0.00 0.00 -1.02 0.00 0.00 32.46 30.71 1fo5 n ARG 83 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39