#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fa4 s THR 2 N 0.00 0.34 0.47 2.62 2.01 -1.26 -3.90 115.64 115.92 1fa4 s THR 2 Ca 0.00 -0.18 0.05 0.00 0.31 0.00 0.00 61.69 61.86 1fa4 s THR 2 Cb 0.00 -0.29 -0.03 0.00 0.01 0.00 0.00 72.50 72.19 1fa4 s THR 2 CO 0.00 0.10 0.11 -0.31 -0.69 0.00 0.00 174.62 173.82 1fa4 s TYR 3 N -0.09 2.16 -0.26 4.92 1.51 -1.04 -5.02 117.35 119.52 1fa4 s TYR 3 Ca 0.02 -0.78 -0.06 0.00 -1.01 0.00 0.00 57.07 55.23 1fa4 s TYR 3 Cb -0.02 -1.78 0.13 0.00 -0.11 0.00 0.00 41.96 40.18 1fa4 s TYR 3 CO -0.00 0.17 0.53 0.99 -1.11 0.00 0.00 175.55 176.13 1fa4 s THR 4 N -2.76 -0.84 -0.97 -0.71 2.01 -1.26 -2.04 115.64 109.09 1fa4 s THR 4 Ca 0.25 0.04 -0.07 0.00 0.31 0.00 0.00 61.69 62.22 1fa4 s THR 4 Cb 0.04 -0.87 0.24 0.00 0.01 0.00 0.00 72.50 71.92 1fa4 s THR 4 CO 0.14 0.00 0.91 -0.69 -0.69 0.00 0.00 174.62 174.29 1fa4 s VAL 5 N 2.75 5.27 -1.02 3.82 1.01 0.36 -4.45 120.40 128.15 1fa4 s VAL 5 Ca 0.04 -3.38 -0.24 0.00 0.00 0.00 0.00 61.98 58.40 1fa4 s VAL 5 Cb -0.13 -4.22 -0.06 0.00 0.00 0.00 0.00 36.38 31.96 1fa4 s VAL 5 CO -0.17 -1.11 1.94 -0.54 0.00 0.00 0.00 175.10 175.22 1fa4 s LYS 6 N -0.98 2.53 0.37 2.72 1.02 -0.92 -4.04 119.74 120.45 1fa4 s LYS 6 Ca 0.27 -0.66 -0.06 0.00 0.02 0.00 0.00 55.97 55.54 1fa4 s LYS 6 Cb -0.10 -5.14 0.10 0.00 -0.52 0.00 0.00 37.83 32.17 1fa4 s LYS 6 CO -0.09 -3.63 0.24 1.47 -0.92 0.00 0.00 175.35 172.43 1fa4 n LEU 7 N 14.13 0.00 -2.89 3.17 -0.00 -1.26 -4.12 117.00 126.03 1fa4 n LEU 7 Ca 0.42 -0.25 -0.04 0.00 -0.00 0.00 0.00 56.01 56.14 1fa4 n LEU 7 Cb 0.47 -0.26 0.00 0.00 -0.00 0.00 0.00 43.42 43.63 1fa4 n LEU 7 CO 0.63 -1.72 -0.38 0.61 -0.00 0.00 0.00 177.39 176.54 1fa4 n GLY 8 N -0.98 -2.65 0.00 1.47 0.00 -1.21 -4.10 105.19 97.72 1fa4 n GLY 8 Ca 0.04 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.64 1fa4 n GLY 8 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1fa4 n SER 9 N 0.56 0.00 -0.59 1.61 3.41 -1.21 -4.68 113.62 112.73 1fa4 n SER 9 Ca 0.02 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.61 1fa4 n SER 9 Cb 0.23 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.16 1fa4 n SER 9 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1fa4 n ASP 10 N 0.00 -0.21 0.00 4.04 2.03 -1.26 -4.98 116.55 116.17 1fa4 n ASP 10 Ca 0.00 -0.43 0.00 0.00 0.52 0.00 0.00 54.79 54.88 1fa4 n ASP 10 Cb 0.00 0.06 0.00 0.00 -0.72 0.00 0.00 41.12 40.46 1fa4 n ASP 10 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1fa4 n LYS 11 N 0.00 1.28 0.00 -0.67 4.76 -1.26 -5.00 118.16 117.26 1fa4 n LYS 11 Ca -0.06 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.38 1fa4 n LYS 11 Cb 0.34 -0.89 0.00 0.00 -1.84 0.00 0.00 35.03 32.64 1fa4 n LYS 11 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1fa4 n GLY 12 N 2.03 1.23 3.89 0.72 0.00 -1.26 -5.12 105.19 106.68 1fa4 n GLY 12 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1fa4 n GLY 12 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fa4 s LEU 13 N 0.00 4.32 -0.31 0.99 1.43 -1.26 -5.06 118.68 118.79 1fa4 s LEU 13 Ca 0.00 0.59 -0.06 0.00 -1.03 0.00 0.00 54.13 53.63 1fa4 s LEU 13 Cb 0.00 -3.05 0.03 0.00 0.03 0.00 0.00 46.19 43.20 1fa4 s LEU 13 CO 0.00 0.14 0.08 -0.76 0.23 0.00 0.00 176.35 176.04 1fa4 s LEU 14 N -2.27 4.03 -0.01 1.79 1.43 -1.26 -3.33 118.68 119.06 1fa4 s LEU 14 Ca 0.35 -0.97 0.00 0.00 -1.03 0.00 0.00 54.13 52.49 1fa4 s LEU 14 Cb -0.13 -1.85 0.01 0.00 0.03 0.00 0.00 46.19 44.25 1fa4 s LEU 14 CO 0.21 -0.26 -0.01 0.68 0.23 0.00 0.00 176.35 177.21 1fa4 s VAL 15 N 1.42 0.13 0.43 -1.59 -7.23 -1.26 -3.77 120.40 108.53 1fa4 s VAL 15 Ca -0.00 0.00 -0.25 0.00 -1.81 0.00 0.00 61.98 59.93 1fa4 s VAL 15 Cb -0.18 -0.16 -0.10 0.00 0.56 0.00 0.00 36.38 36.50 1fa4 s VAL 15 CO 0.02 0.07 1.13 0.49 -0.31 0.00 0.00 175.10 176.50 1fa4 n PHE 16 N 3.48 1.59 -3.53 2.82 3.01 -1.25 -3.30 117.46 120.27 1fa4 n PHE 16 Ca -0.18 0.53 -0.22 0.00 1.01 0.00 0.00 57.45 58.59 1fa4 n PHE 16 Cb 0.56 -2.29 -0.14 0.00 -0.01 0.00 0.00 39.48 37.59 1fa4 n PHE 16 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1fa4 s GLU 17 N -2.13 0.15 0.77 -1.08 2.02 -1.26 -2.93 118.70 114.24 1fa4 s GLU 17 Ca 0.63 0.03 -0.11 0.00 0.02 0.00 0.00 54.97 55.53 1fa4 s GLU 17 Cb -0.53 -1.41 0.05 0.00 0.10 0.00 0.00 34.13 32.34 1fa4 s GLU 17 CO 0.57 -0.71 1.10 -1.25 0.02 0.00 0.00 175.26 174.99 1fa4 s PRO 18 N 2.24 2.33 -0.03 0.39 0.04 -1.26 -2.17 135.00 136.55 1fa4 s PRO 18 Ca 0.05 0.58 -0.16 0.00 0.04 0.00 0.00 61.00 61.52 1fa4 s PRO 18 Cb -0.16 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 32.34 1fa4 s PRO 18 CO -0.14 -1.43 0.66 0.00 0.04 0.00 0.00 177.00 176.13 1fa4 h ALA 19 N -0.95 -0.58 -2.65 8.56 0.00 -1.90 -3.44 119.26 118.30 1fa4 h ALA 19 Ca -0.46 -0.12 -0.51 0.00 0.00 0.00 0.00 54.91 53.81 1fa4 h ALA 19 Cb 1.26 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 1fa4 h ALA 19 CO 0.61 -0.54 0.39 -1.59 0.00 0.00 0.00 179.25 178.12 1fa4 s LYS 20 N -3.40 4.72 -0.23 0.00 0.00 -1.26 -3.76 119.74 115.81 1fa4 s LYS 20 Ca -0.08 1.54 0.00 0.00 0.00 0.00 0.00 55.97 57.43 1fa4 s LYS 20 Cb 0.01 -3.32 0.06 0.00 0.00 0.00 0.00 37.83 34.58 1fa4 s LYS 20 CO 0.25 0.27 -0.03 -0.51 0.00 0.00 0.00 175.35 175.32 1fa4 s LEU 21 N -0.47 2.40 -0.80 2.77 2.01 -1.04 -4.99 118.68 118.56 1fa4 s LEU 21 Ca 0.46 -1.16 -0.21 0.00 0.01 0.00 0.00 54.13 53.24 1fa4 s LEU 21 Cb -0.26 -1.09 0.10 0.00 0.01 0.00 0.00 46.19 44.95 1fa4 s LEU 21 CO 0.32 -0.25 1.05 -0.89 1.01 0.00 0.00 176.35 177.58 1fa4 s THR 22 N 1.46 4.52 0.34 5.49 2.01 -1.26 0.17 115.64 128.37 1fa4 s THR 22 Ca -0.04 -0.97 0.08 0.00 0.31 0.00 0.00 61.69 61.06 1fa4 s THR 22 Cb -0.19 -4.74 -0.03 0.00 0.01 0.00 0.00 72.50 67.56 1fa4 s THR 22 CO -0.07 -1.49 0.29 0.27 -0.69 0.00 0.00 174.62 172.93 1fa4 s ILE 23 N 3.40 3.43 0.72 1.82 -5.25 -0.86 -4.92 121.20 119.54 1fa4 s ILE 23 Ca 0.27 -1.40 -0.05 0.00 -0.99 0.00 0.00 60.65 58.49 1fa4 s ILE 23 Cb -0.11 -3.15 0.15 0.00 2.95 0.00 0.00 42.46 42.30 1fa4 s ILE 23 CO 0.00 -0.16 0.99 0.29 -1.79 0.00 0.00 174.94 174.27 1fa4 n LYS 24 N -1.37 -0.38 -2.58 0.37 5.02 -1.26 -3.85 118.16 114.11 1fa4 n LYS 24 Ca -0.02 -2.27 -0.42 0.00 -2.02 0.00 0.00 58.31 53.59 1fa4 n LYS 24 Cb 0.60 -0.79 -0.02 0.00 -0.02 0.00 0.00 35.03 34.80 1fa4 n LYS 24 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1fa4 s PRO 25 N -5.07 3.74 0.00 1.97 0.04 -1.26 -3.11 135.00 131.31 1fa4 s PRO 25 Ca 0.62 -1.46 0.00 0.00 0.04 0.00 0.00 61.00 60.20 1fa4 s PRO 25 Cb -0.03 -5.42 0.00 0.00 0.04 0.00 0.00 34.50 29.09 1fa4 s PRO 25 CO 0.42 -2.22 0.00 0.41 0.04 0.00 0.00 177.00 175.65 1fa4 n GLY 26 N 6.31 0.71 3.16 0.56 0.00 0.20 -3.98 105.19 112.15 1fa4 n GLY 26 Ca 0.39 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.13 1fa4 n GLY 26 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1fa4 n ASP 27 N 0.00 -2.77 -4.08 1.61 9.92 -1.18 -4.51 116.55 115.53 1fa4 n ASP 27 Ca 0.00 -1.01 -0.32 0.00 -0.53 0.00 0.00 54.79 52.93 1fa4 n ASP 27 Cb 0.00 -0.94 -0.16 0.00 -0.64 0.00 0.00 41.12 39.38 1fa4 n ASP 27 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1fa4 s THR 28 N -2.55 1.85 -0.25 -3.53 2.01 -1.25 -2.25 115.64 109.67 1fa4 s THR 28 Ca 0.65 -0.81 -0.11 0.00 0.31 0.00 0.00 61.69 61.73 1fa4 s THR 28 Cb -0.08 -1.69 -0.05 0.00 0.01 0.00 0.00 72.50 70.69 1fa4 s THR 28 CO 0.51 0.50 0.20 -0.69 -0.69 0.00 0.00 174.62 174.46 1fa4 s VAL 29 N 1.33 5.32 -0.25 3.82 1.01 -1.11 -2.51 120.40 128.01 1fa4 s VAL 29 Ca 0.04 0.26 -0.11 0.00 0.00 0.00 0.00 61.98 62.17 1fa4 s VAL 29 Cb -0.13 -3.54 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 1fa4 s VAL 29 CO -0.11 0.31 0.19 -0.70 0.00 0.00 0.00 175.10 174.78 1fa4 s GLU 30 N 1.28 4.03 0.02 2.72 2.12 -0.86 -3.07 118.70 124.94 1fa4 s GLU 30 Ca 0.09 -0.26 0.08 0.00 0.36 0.00 0.00 54.97 55.24 1fa4 s GLU 30 Cb -0.14 -3.59 -0.02 0.00 0.26 0.00 0.00 34.13 30.64 1fa4 s GLU 30 CO 0.06 -0.04 -0.23 -0.06 -0.54 0.00 0.00 175.26 174.45 1fa4 s PHE 31 N 1.36 2.03 0.34 5.30 0.40 -1.25 -0.48 117.98 125.67 1fa4 s PHE 31 Ca 0.08 -0.39 0.05 0.00 -0.60 0.00 0.00 56.93 56.07 1fa4 s PHE 31 Cb -0.15 -1.25 -0.02 0.00 0.51 0.00 0.00 43.02 42.12 1fa4 s PHE 31 CO 0.07 0.05 0.34 -0.48 0.70 0.00 0.00 175.22 175.90 1fa4 s LEU 32 N -0.94 1.54 -0.17 -0.37 2.34 -1.26 -3.59 118.68 116.24 1fa4 s LEU 32 Ca 0.09 -1.69 -0.06 0.00 0.06 0.00 0.00 54.13 52.54 1fa4 s LEU 32 Cb -0.09 0.83 -0.04 0.00 -0.56 0.00 0.00 46.19 46.34 1fa4 s LEU 32 CO 0.01 -1.14 0.02 0.54 -1.06 0.00 0.00 176.35 174.72 1fa4 s ASN 33 N -3.34 5.30 -0.04 1.48 2.20 -1.26 -4.17 114.94 115.12 1fa4 s ASN 33 Ca 0.38 0.01 -0.15 0.00 -0.94 0.00 0.00 52.86 52.15 1fa4 s ASN 33 Cb 0.01 -1.87 -0.09 0.00 -2.00 0.00 0.00 41.25 37.31 1fa4 s ASN 33 CO 0.26 0.19 0.64 -1.13 -2.94 0.00 0.00 177.10 174.11 1fa4 h ASN 34 N 6.58 -0.44 0.00 3.54 -1.24 -1.84 2.33 115.58 124.52 1fa4 h ASN 34 Ca -0.36 -0.01 -0.06 0.00 0.71 0.00 0.00 56.30 56.59 1fa4 h ASN 34 Cb 1.18 0.11 -0.05 0.00 0.73 0.00 0.00 38.32 40.29 1fa4 h ASN 34 CO 0.67 0.01 -0.10 1.17 -1.29 0.00 0.00 177.43 177.88 1fa4 n LYS 35 N -5.12 0.30 -2.86 6.67 3.00 -1.26 -3.92 118.16 114.97 1fa4 n LYS 35 Ca -0.07 -0.41 -0.12 0.00 -0.00 0.00 0.00 58.31 57.72 1fa4 n LYS 35 Cb 0.22 0.29 0.04 0.00 0.00 0.00 0.00 35.03 35.58 1fa4 n LYS 35 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1fa4 n VAL 36 N -0.34 0.18 -1.82 3.15 0.31 -1.26 -5.08 118.33 113.46 1fa4 n VAL 36 Ca -0.08 -2.89 -0.29 0.00 -0.01 0.00 0.00 64.34 61.07 1fa4 n VAL 36 Cb 0.55 0.63 0.15 0.00 -0.91 0.00 0.00 33.84 34.26 1fa4 n VAL 36 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1fa4 s PRO 37 N -1.44 0.99 0.71 5.55 0.04 -1.26 -4.75 135.00 134.84 1fa4 s PRO 37 Ca 0.29 -0.15 -0.07 0.00 0.04 0.00 0.00 61.00 61.11 1fa4 s PRO 37 Cb 0.37 -1.86 0.06 0.00 0.04 0.00 0.00 34.50 33.11 1fa4 s PRO 37 CO -0.05 -2.22 1.03 -1.25 0.04 0.00 0.00 177.00 174.55 1fa4 s PRO 38 N -5.70 2.18 0.15 0.56 0.04 -1.26 -5.05 135.00 125.93 1fa4 s PRO 38 Ca 0.69 -0.21 0.10 0.00 0.04 0.00 0.00 61.00 61.61 1fa4 s PRO 38 Cb -0.08 -2.15 -0.04 0.00 0.04 0.00 0.00 34.50 32.27 1fa4 s PRO 38 CO 0.52 -1.27 -0.22 -1.01 0.04 0.00 0.00 177.00 175.07 1fa4 s HIS 39 N -3.28 2.01 -0.30 0.56 3.76 -1.18 -4.90 115.29 111.96 1fa4 s HIS 39 Ca 0.60 -0.41 0.02 0.00 -0.15 0.00 0.00 55.06 55.12 1fa4 s HIS 39 Cb -0.11 -1.03 0.09 0.00 1.11 0.00 0.00 32.58 32.64 1fa4 s HIS 39 CO 0.45 0.34 0.03 1.21 -0.85 0.00 0.00 174.74 175.92 1fa4 s ASN 40 N -2.39 4.35 -0.42 1.40 3.04 -1.26 -3.50 114.94 116.16 1fa4 s ASN 40 Ca 0.14 -1.74 -0.16 0.00 0.04 0.00 0.00 52.86 51.14 1fa4 s ASN 40 Cb -0.08 -1.33 0.03 0.00 -1.54 0.00 0.00 41.25 38.33 1fa4 s ASN 40 CO 0.07 -0.34 0.36 -0.69 -3.04 0.00 0.00 177.10 173.46 1fa4 s VAL 41 N 1.21 5.20 0.15 -5.21 1.01 -1.26 -3.43 120.40 118.06 1fa4 s VAL 41 Ca 0.05 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.44 1fa4 s VAL 41 Cb -0.19 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 1fa4 s VAL 41 CO -0.12 -0.39 -0.04 -0.69 0.00 0.00 0.00 175.10 173.87 1fa4 s VAL 42 N 1.83 0.80 -0.51 2.92 1.01 -1.23 -3.75 120.40 121.47 1fa4 s VAL 42 Ca 0.07 -1.99 -0.06 0.00 0.00 0.00 0.00 61.98 60.01 1fa4 s VAL 42 Cb -0.19 -1.95 0.13 0.00 0.00 0.00 0.00 36.38 34.37 1fa4 s VAL 42 CO 0.11 -0.64 0.35 -0.36 0.00 0.00 0.00 175.10 174.56 1fa4 s PHE 43 N -3.57 3.50 1.02 5.22 0.40 -1.26 -2.95 117.98 120.35 1fa4 s PHE 43 Ca 0.19 -2.30 -0.23 0.00 -0.60 0.00 0.00 56.93 53.99 1fa4 s PHE 43 Cb 0.05 -3.34 -0.11 0.00 0.51 0.00 0.00 43.02 40.13 1fa4 s PHE 43 CO 0.01 -0.95 -0.98 -3.47 0.70 0.00 0.00 175.22 170.53 1fa4 n ASP 44 N 4.35 -3.34 -0.37 1.36 -0.08 -1.26 -4.89 116.55 112.32 1fa4 n ASP 44 Ca -0.00 0.02 0.06 0.00 -1.51 0.00 0.00 54.79 53.36 1fa4 n ASP 44 Cb 0.40 -0.68 0.13 0.00 2.34 0.00 0.00 41.12 43.31 1fa4 n ASP 44 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1fa4 n ALA 45 N -3.54 2.35 -0.01 -1.67 0.00 -1.26 -4.50 120.51 111.88 1fa4 n ALA 45 Ca -0.01 -1.80 0.00 0.00 0.00 0.00 0.00 53.44 51.63 1fa4 n ALA 45 Cb 0.68 -0.37 0.00 0.00 0.00 0.00 0.00 19.45 19.76 1fa4 n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fa4 n ALA 46 N -0.55 2.29 -1.83 0.00 0.00 -1.26 -4.67 120.51 114.48 1fa4 n ALA 46 Ca 0.12 -0.31 -0.27 0.00 0.00 0.00 0.00 53.44 52.98 1fa4 n ALA 46 Cb 0.55 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.04 1fa4 n ALA 46 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1fa4 n LEU 47 N -0.37 5.73 -4.78 0.00 4.32 -1.26 -5.02 117.00 115.62 1fa4 n LEU 47 Ca 0.00 -4.63 -0.22 0.00 -0.02 0.00 0.00 56.01 51.14 1fa4 n LEU 47 Cb 0.00 -0.53 -0.05 0.00 -1.62 0.00 0.00 43.42 41.22 1fa4 n LEU 47 CO 0.00 1.93 -0.14 0.54 -1.22 0.00 0.00 177.39 178.50 1fa4 s ASN 48 N -3.08 4.89 -0.10 -1.43 2.20 -1.26 -3.86 114.94 112.30 1fa4 s ASN 48 Ca 0.55 -0.71 -0.20 0.00 -0.94 0.00 0.00 52.86 51.56 1fa4 s ASN 48 Cb 0.44 -0.77 -0.17 0.00 -2.00 0.00 0.00 41.25 38.75 1fa4 s ASN 48 CO 0.02 -0.37 0.68 1.55 -2.94 0.00 0.00 177.10 176.04 1fa4 h PRO 49 N 1.39 -0.06 -0.97 3.55 0.13 -1.96 -3.32 132.00 130.76 1fa4 h PRO 49 Ca -0.44 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.19 1fa4 h PRO 49 Cb 1.25 0.01 -0.30 0.00 0.13 0.00 0.00 31.00 32.10 1fa4 h PRO 49 CO 0.62 0.52 0.63 0.00 -0.23 0.00 0.00 178.00 179.54 1fa4 n ALA 50 N -2.61 5.58 -4.21 -0.56 0.00 -1.26 -4.91 120.51 112.53 1fa4 n ALA 50 Ca -0.07 -2.93 -0.38 0.00 0.00 0.00 0.00 53.44 50.05 1fa4 n ALA 50 Cb 0.30 -1.43 -0.05 0.00 0.00 0.00 0.00 19.45 18.28 1fa4 n ALA 50 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1fa4 n LYS 51 N -1.14 -0.61 -3.93 0.00 5.02 -1.25 -4.91 118.16 111.33 1fa4 n LYS 51 Ca 0.59 0.07 -0.28 0.00 -2.02 0.00 0.00 58.31 56.66 1fa4 n LYS 51 Cb 1.61 -3.05 -0.03 0.00 -0.02 0.00 0.00 35.03 33.54 1fa4 n LYS 51 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1fa4 s SER 52 N -4.01 6.35 -0.32 4.39 0.01 -1.26 -5.03 113.70 113.82 1fa4 s SER 52 Ca 0.22 0.22 0.18 0.00 1.31 0.00 0.00 55.95 57.87 1fa4 s SER 52 Cb -0.12 -1.93 0.46 0.00 0.21 0.00 0.00 66.02 64.63 1fa4 s SER 52 CO 0.98 0.11 1.04 0.00 0.41 0.00 0.00 173.24 175.78 1fa4 n ALA 53 N -0.15 3.00 -0.18 1.44 0.00 -1.26 -4.86 120.51 118.51 1fa4 n ALA 53 Ca -0.06 -2.79 0.00 0.00 0.00 0.00 0.00 53.44 50.59 1fa4 n ALA 53 Cb 0.53 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 19.04 1fa4 n ALA 53 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1fa4 n ASP 54 N -0.27 0.00 0.05 0.00 8.00 -1.26 -4.45 116.55 118.62 1fa4 n ASP 54 Ca 0.06 0.00 0.21 0.00 0.71 0.00 0.00 54.79 55.77 1fa4 n ASP 54 Cb 0.82 -0.10 0.73 0.00 -0.02 0.00 0.00 41.12 42.56 1fa4 n ASP 54 CO 0.00 0.00 0.00 0.17 -0.39 0.00 0.00 177.20 176.98 1fa4 h LEU 55 N 0.00 0.00 -0.73 0.64 8.10 -1.96 0.15 115.31 121.52 1fa4 h LEU 55 Ca 0.00 0.00 -0.09 0.00 0.11 0.00 0.00 57.88 57.90 1fa4 h LEU 55 Cb 0.00 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.20 1fa4 h LEU 55 CO 0.00 0.00 -0.04 0.00 -4.11 0.00 0.00 178.44 174.29 1fa4 h ALA 56 N 1.62 0.93 -0.67 0.17 0.00 -1.91 -2.25 119.26 117.16 1fa4 h ALA 56 Ca 0.22 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.85 1fa4 h ALA 56 Cb 1.03 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 1fa4 h ALA 56 CO -0.00 0.63 0.44 -0.22 0.00 0.00 0.00 179.25 180.10 1fa4 h LYS 57 N 0.85 0.81 -0.91 0.00 3.11 -0.90 -1.02 116.57 118.51 1fa4 h LYS 57 Ca 0.15 -0.05 -0.48 0.00 -2.81 0.00 0.00 60.65 57.46 1fa4 h LYS 57 Cb 0.56 -0.18 -0.28 0.00 -1.00 0.00 0.00 32.23 31.32 1fa4 h LYS 57 CO 0.03 0.54 0.57 0.45 -2.81 0.00 0.00 179.45 178.22 1fa4 n SER 58 N -4.45 3.75 0.00 4.20 2.88 -0.97 -4.28 113.62 114.75 1fa4 n SER 58 Ca 0.08 -3.64 0.00 0.00 -1.33 0.00 0.00 58.87 53.97 1fa4 n SER 58 Cb 0.09 -0.82 0.00 0.00 -0.75 0.00 0.00 64.21 62.74 1fa4 n SER 58 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1fa4 n LEU 59 N -1.14 1.03 -4.83 2.46 7.94 -0.40 -5.01 117.00 117.06 1fa4 n LEU 59 Ca 0.57 0.00 -0.33 0.00 -1.11 0.00 0.00 56.01 55.14 1fa4 n LEU 59 Cb 1.55 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 45.46 1fa4 n LEU 59 CO 0.56 0.17 0.68 -0.94 -1.11 0.00 0.00 177.39 176.75 1fa4 s SER 60 N -3.33 6.60 0.43 1.96 1.04 -1.13 -4.92 113.70 114.36 1fa4 s SER 60 Ca 0.00 1.67 0.06 0.00 0.48 0.00 0.00 55.95 58.15 1fa4 s SER 60 Cb 0.00 -2.53 0.01 0.00 0.10 0.00 0.00 66.02 63.60 1fa4 s SER 60 CO 0.00 -0.60 0.60 -1.38 0.98 0.00 0.00 173.24 172.84 1fa4 s HIS 61 N -2.41 2.92 -0.01 5.02 -3.43 -1.25 -5.04 115.29 111.09 1fa4 s HIS 61 Ca 0.61 -0.23 0.01 0.00 -0.80 0.00 0.00 55.06 54.65 1fa4 s HIS 61 Cb -0.11 -2.37 -0.02 0.00 -1.43 0.00 0.00 32.58 28.65 1fa4 s HIS 61 CO 0.25 -0.42 -0.00 1.63 -2.00 0.00 0.00 174.74 174.20 1fa4 n LYS 62 N -1.93 2.65 -2.28 -0.38 4.76 -1.26 -4.91 118.16 114.81 1fa4 n LYS 62 Ca 0.06 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.08 1fa4 n LYS 62 Cb 0.59 -1.03 -0.02 0.00 -1.84 0.00 0.00 35.03 32.72 1fa4 n LYS 62 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 1fa4 s GLN 63 N -2.03 3.42 0.89 1.97 0.74 -1.26 -4.96 119.66 118.42 1fa4 s GLN 63 Ca -0.01 0.89 -0.16 0.00 0.05 0.00 0.00 55.36 56.13 1fa4 s GLN 63 Cb 0.00 -4.10 -0.09 0.00 1.10 0.00 0.00 33.01 29.93 1fa4 s GLN 63 CO 0.05 -1.77 -0.25 1.28 -0.55 0.00 0.00 175.29 174.05 1fa4 n LEU 64 N 9.47 -3.44 -4.24 3.68 7.99 -1.26 -4.88 117.00 124.33 1fa4 n LEU 64 Ca 0.17 0.33 -0.43 0.00 -0.01 0.00 0.00 56.01 56.07 1fa4 n LEU 64 Cb 0.48 -0.94 -0.05 0.00 -0.11 0.00 0.00 43.42 42.80 1fa4 n LEU 64 CO 0.70 -4.93 0.24 -0.76 -1.51 0.00 0.00 177.39 171.14 1fa4 s LEU 65 N 4.35 6.13 0.12 2.23 1.43 -1.23 -4.86 118.68 126.84 1fa4 s LEU 65 Ca 0.50 -2.64 0.24 0.00 -1.03 0.00 0.00 54.13 51.20 1fa4 s LEU 65 Cb -0.25 -2.07 0.27 0.00 0.03 0.00 0.00 46.19 44.17 1fa4 s LEU 65 CO 0.74 -0.53 1.26 -0.03 0.23 0.00 0.00 176.35 178.02 1fa4 h MET 66 N 7.64 0.00 -6.50 1.70 4.05 -1.89 -3.12 114.93 116.80 1fa4 h MET 66 Ca 0.02 0.00 -0.57 0.00 -0.28 0.00 0.00 59.70 58.87 1fa4 h MET 66 Cb 1.02 0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 31.75 1fa4 h MET 66 CO 0.76 0.00 0.92 0.45 0.23 0.00 0.00 176.91 179.28 1fa4 s SER 67 N -4.33 6.71 -0.14 1.39 0.15 -1.26 -4.86 113.70 111.36 1fa4 s SER 67 Ca 0.05 0.83 -0.29 0.00 0.70 0.00 0.00 55.95 57.24 1fa4 s SER 67 Cb 0.13 -2.55 -0.02 0.00 -1.71 0.00 0.00 66.02 61.87 1fa4 s SER 67 CO 0.74 -1.12 1.35 -2.16 1.20 0.00 0.00 173.24 173.24 1fa4 s PRO 68 N 4.19 4.22 0.00 5.44 0.04 -1.26 -2.82 135.00 144.81 1fa4 s PRO 68 Ca 0.50 1.78 0.00 0.00 0.04 0.00 0.00 61.00 63.32 1fa4 s PRO 68 Cb -0.11 -3.80 0.00 0.00 0.04 0.00 0.00 34.50 30.63 1fa4 s PRO 68 CO 0.25 -0.73 0.00 0.41 0.04 0.00 0.00 177.00 176.97 1fa4 n GLY 69 N 3.72 1.89 2.96 0.56 0.00 0.79 -4.92 105.19 110.18 1fa4 n GLY 69 Ca 0.15 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.05 1fa4 n GLY 69 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1fa4 s GLN 70 N -0.46 0.28 0.00 1.61 0.00 -1.13 -4.37 119.66 115.59 1fa4 s GLN 70 Ca 0.00 0.59 0.00 0.00 -0.00 0.00 0.00 55.36 55.95 1fa4 s GLN 70 Cb 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 33.01 32.60 1fa4 s GLN 70 CO 0.00 -0.52 0.00 -1.13 0.00 0.00 0.00 175.29 173.64 1fa4 n SER 71 N 5.36 0.00 -4.58 12.60 3.41 -1.24 -4.44 113.62 124.74 1fa4 n SER 71 Ca -0.05 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.31 1fa4 n SER 71 Cb 0.50 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.36 1fa4 n SER 71 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1fa4 s THR 72 N 4.49 3.14 0.21 6.66 -1.32 -1.24 -4.93 115.64 122.66 1fa4 s THR 72 Ca 0.00 -1.86 0.03 0.00 -1.21 0.00 0.00 61.69 58.65 1fa4 s THR 72 Cb 0.00 -2.61 0.03 0.00 -1.51 0.00 0.00 72.50 68.41 1fa4 s THR 72 CO 0.00 -0.24 0.28 -1.54 -2.21 0.00 0.00 174.62 170.91 1fa4 n SER 73 N -0.36 0.74 -3.15 8.08 3.41 -1.26 -3.83 113.62 117.25 1fa4 n SER 73 Ca -0.09 -1.54 0.04 0.00 -0.26 0.00 0.00 58.87 57.03 1fa4 n SER 73 Cb 0.57 -0.15 -0.01 0.00 -0.26 0.00 0.00 64.21 64.36 1fa4 n SER 73 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1fa4 s THR 74 N -0.28 -0.86 -1.00 6.66 2.01 -1.17 -4.95 115.64 116.04 1fa4 s THR 74 Ca 0.22 0.00 -0.20 0.00 0.31 0.00 0.00 61.69 62.01 1fa4 s THR 74 Cb -0.02 -0.97 0.10 0.00 0.01 0.00 0.00 72.50 71.61 1fa4 s THR 74 CO 0.14 0.00 1.31 0.28 -0.69 0.00 0.00 174.62 175.66 1fa4 s THR 75 N 2.87 4.37 1.01 -0.82 -1.32 -1.26 -2.75 115.64 117.74 1fa4 s THR 75 Ca 0.16 -1.30 -0.18 0.00 -1.21 0.00 0.00 61.69 59.16 1fa4 s THR 75 Cb -0.13 -4.93 -0.07 0.00 -1.51 0.00 0.00 72.50 65.86 1fa4 s THR 75 CO -0.20 -1.72 -0.50 0.49 -2.21 0.00 0.00 174.62 170.47 1fa4 n PHE 76 N 7.60 -2.79 -1.68 9.09 3.01 -0.95 -4.92 117.46 126.81 1fa4 n PHE 76 Ca 0.30 0.21 -0.31 0.00 1.01 0.00 0.00 57.45 58.66 1fa4 n PHE 76 Cb 0.49 -1.54 0.04 0.00 -0.01 0.00 0.00 39.48 38.47 1fa4 n PHE 76 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1fa4 s PRO 77 N -2.68 3.00 0.00 -1.08 0.04 -1.26 -4.36 135.00 128.66 1fa4 s PRO 77 Ca 0.46 0.80 0.15 0.00 0.04 0.00 0.00 61.00 62.45 1fa4 s PRO 77 Cb -0.12 -2.01 0.80 0.00 0.04 0.00 0.00 34.50 33.21 1fa4 s PRO 77 CO 0.73 -1.01 1.36 0.00 0.04 0.00 0.00 177.00 178.11 1fa4 n ALA 78 N -3.05 1.92 -0.62 8.56 0.00 -1.26 0.60 120.51 126.67 1fa4 n ALA 78 Ca 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1fa4 n ALA 78 Cb 0.54 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.76 1fa4 n ALA 78 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1fa4 n ASP 79 N -1.16 0.00 -4.07 0.00 -0.08 -1.26 -4.42 116.55 105.56 1fa4 n ASP 79 Ca 0.09 0.01 -0.39 0.00 -1.51 0.00 0.00 54.79 52.99 1fa4 n ASP 79 Cb 0.09 -0.19 -0.01 0.00 2.34 0.00 0.00 41.12 43.35 1fa4 n ASP 79 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1fa4 n ALA 80 N -1.86 -2.30 -1.00 -1.67 0.00 -1.25 -4.45 120.51 107.98 1fa4 n ALA 80 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.94 1fa4 n ALA 80 Cb 0.00 -1.88 0.00 0.00 0.00 0.00 0.00 19.45 17.57 1fa4 n ALA 80 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1fa4 n PRO 81 N -4.52 0.95 0.00 0.00 -0.04 -1.26 -4.49 135.00 125.64 1fa4 n PRO 81 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 1fa4 n PRO 81 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 1fa4 n PRO 81 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1fa4 n ALA 82 N -3.00 0.00 0.00 0.55 0.00 -1.26 -4.35 120.51 112.45 1fa4 n ALA 82 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1fa4 n ALA 82 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1fa4 n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fa4 n GLY 83 N 0.00 1.73 2.97 0.00 0.00 -1.20 -4.30 105.19 104.39 1fa4 n GLY 83 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1fa4 n GLY 83 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1fa4 s GLU 84 N -0.32 0.34 -0.41 1.61 2.56 -1.24 -3.81 118.70 117.43 1fa4 s GLU 84 Ca 0.00 0.61 0.03 0.00 0.00 0.00 0.00 54.97 55.61 1fa4 s GLU 84 Cb 0.00 -0.35 0.16 0.00 2.00 0.00 0.00 34.13 35.93 1fa4 s GLU 84 CO 0.00 -0.58 0.30 0.71 -0.56 0.00 0.00 175.26 175.13 1fa4 s TYR 85 N 2.56 1.12 -0.18 5.30 1.51 -0.20 -4.22 117.35 123.24 1fa4 s TYR 85 Ca 0.11 -2.14 -0.29 0.00 -1.01 0.00 0.00 57.07 53.73 1fa4 s TYR 85 Cb -0.15 -1.04 -0.00 0.00 -0.11 0.00 0.00 41.96 40.66 1fa4 s TYR 85 CO -0.15 -0.81 1.11 0.99 -1.11 0.00 0.00 175.55 175.57 1fa4 s THR 86 N 0.34 4.55 0.45 -0.71 2.01 -1.25 -0.15 115.64 120.89 1fa4 s THR 86 Ca 0.27 1.86 0.05 0.00 0.31 0.00 0.00 61.69 64.18 1fa4 s THR 86 Cb -0.07 -4.20 -0.04 0.00 0.01 0.00 0.00 72.50 68.20 1fa4 s THR 86 CO -0.12 -0.12 0.10 0.72 -0.69 0.00 0.00 174.62 174.51 1fa4 s PHE 87 N 3.02 2.28 0.00 4.92 -0.12 0.23 -4.15 117.98 124.17 1fa4 s PHE 87 Ca 0.49 -0.74 0.00 0.00 -0.05 0.00 0.00 56.93 56.63 1fa4 s PHE 87 Cb -0.18 -1.81 0.00 0.00 -0.63 0.00 0.00 43.02 40.40 1fa4 s PHE 87 CO 0.12 0.21 0.00 2.48 -0.05 0.00 0.00 175.22 177.98 1fa4 n TYR 88 N -1.21 0.00 -4.17 3.49 4.11 -1.15 -2.52 117.16 115.71 1fa4 n TYR 88 Ca -0.07 0.00 -0.17 0.00 -0.00 0.00 0.00 57.90 57.66 1fa4 n TYR 88 Cb 0.66 0.00 -0.11 0.00 -0.00 0.00 0.00 39.34 39.89 1fa4 n TYR 88 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1fa4 h GLU 90 N 4.03 0.21 0.00 0.00 4.22 -1.95 -3.25 114.58 117.84 1fa4 h GLU 90 Ca -0.39 -0.36 -0.01 0.00 0.08 0.00 0.00 59.36 58.68 1fa4 h GLU 90 Cb 1.19 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.57 1fa4 h GLU 90 CO 0.45 1.17 -0.06 -1.00 -2.18 0.00 0.00 179.01 177.39 1fa4 h PRO 91 N -0.50 0.00 -1.72 0.92 0.13 -1.91 -3.32 132.00 125.59 1fa4 h PRO 91 Ca -0.19 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.73 1fa4 h PRO 91 Cb 1.55 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.59 1fa4 h PRO 91 CO 0.07 0.89 0.25 0.72 -0.23 0.00 0.00 178.00 179.70 1fa4 n HIS 92 N -4.62 0.97 -2.58 1.56 8.25 -1.26 -4.92 115.22 112.61 1fa4 n HIS 92 Ca -0.10 -1.62 -0.39 0.00 -0.26 0.00 0.00 57.72 55.34 1fa4 n HIS 92 Cb 0.44 -0.83 -0.05 0.00 1.12 0.00 0.00 29.99 30.67 1fa4 n HIS 92 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1fa4 s ARG 93 N -1.11 4.64 -0.63 -0.41 3.52 -1.23 -3.01 118.95 120.72 1fa4 s ARG 93 Ca 0.22 1.64 0.00 0.00 -0.13 0.00 0.00 55.73 57.46 1fa4 s ARG 93 Cb 0.17 -3.10 0.00 0.00 -1.56 0.00 0.00 34.95 30.45 1fa4 s ARG 93 CO -0.01 0.26 0.00 0.41 -0.81 0.00 0.00 175.30 175.15 1fa4 n GLY 94 N 1.12 0.82 1.73 8.12 0.00 -1.26 -4.89 105.19 110.83 1fa4 n GLY 94 Ca -0.00 -0.53 -0.16 0.00 0.00 0.00 0.00 46.02 45.32 1fa4 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fa4 n ALA 95 N 1.11 4.61 -1.05 4.61 0.00 -1.16 -4.89 120.51 123.74 1fa4 n ALA 95 Ca -0.06 -3.63 -0.02 0.00 0.00 0.00 0.00 53.44 49.73 1fa4 n ALA 95 Cb 0.24 -0.35 -0.01 0.00 0.00 0.00 0.00 19.45 19.33 1fa4 n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fa4 n GLY 96 N -0.78 0.45 2.74 0.00 0.00 -1.26 -4.23 105.19 102.11 1fa4 n GLY 96 Ca 0.37 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 1fa4 n GLY 96 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1fa4 n MET 97 N -1.79 4.64 -3.26 1.61 2.00 -1.25 -3.81 117.12 115.27 1fa4 n MET 97 Ca -0.02 -4.13 -0.25 0.00 0.00 0.00 0.00 57.70 53.30 1fa4 n MET 97 Cb 0.20 -2.61 -0.08 0.00 0.00 0.00 0.00 33.22 30.73 1fa4 n MET 97 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1fa4 n VAL 98 N 1.38 -0.89 -2.50 2.03 0.31 -1.26 -3.05 118.33 114.35 1fa4 n VAL 98 Ca 0.44 -3.75 -0.24 0.00 -0.01 0.00 0.00 64.34 60.77 1fa4 n VAL 98 Cb 0.30 -1.80 0.04 0.00 -0.91 0.00 0.00 33.84 31.46 1fa4 n VAL 98 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1fa4 s GLY 99 N -0.70 1.69 -0.06 2.92 0.00 -1.05 -4.81 107.32 105.31 1fa4 s GLY 99 Ca 0.34 -1.00 -0.05 0.00 0.00 0.00 0.00 44.72 44.02 1fa4 s GLY 99 CO -0.14 -0.69 0.16 0.54 0.00 0.00 0.00 173.10 172.96 1fa4 s LYS 100 N -4.94 0.17 -0.15 2.90 1.02 -1.25 0.78 119.74 118.27 1fa4 s LYS 100 Ca 0.56 0.25 -0.21 0.00 0.02 0.00 0.00 55.97 56.59 1fa4 s LYS 100 Cb -0.10 0.04 -0.03 0.00 -0.52 0.00 0.00 37.83 37.21 1fa4 s LYS 100 CO 0.42 -0.05 0.61 0.42 -0.92 0.00 0.00 175.35 175.83 1fa4 s ILE 101 N 0.30 5.06 -0.53 2.17 1.01 0.79 -2.48 121.20 127.52 1fa4 s ILE 101 Ca -0.02 1.20 -0.14 0.00 0.00 0.00 0.00 60.65 61.69 1fa4 s ILE 101 Cb -0.03 -3.94 0.13 0.00 0.01 0.00 0.00 42.46 38.63 1fa4 s ILE 101 CO -0.01 0.19 0.47 -0.89 0.00 0.00 0.00 174.94 174.69 1fa4 s THR 102 N 1.39 4.95 -1.11 2.92 2.01 0.13 -1.03 115.64 124.89 1fa4 s THR 102 Ca 0.30 -1.62 -0.06 0.00 0.31 0.00 0.00 61.69 60.62 1fa4 s THR 102 Cb -0.16 -4.19 0.29 0.00 0.01 0.00 0.00 72.50 68.45 1fa4 s THR 102 CO 0.12 -0.85 1.40 0.52 -0.69 0.00 0.00 174.62 175.12 1fa4 n VAL 103 N 5.10 5.01 -1.51 3.82 0.31 -1.25 -2.04 118.33 127.78 1fa4 n VAL 103 Ca -0.11 -5.63 -0.32 0.00 -0.01 0.00 0.00 64.34 58.28 1fa4 n VAL 103 Cb 0.40 -2.26 -0.17 0.00 -0.91 0.00 0.00 33.84 30.90 1fa4 n VAL 103 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1fa4 n ALA 104 N 2.05 0.66 -0.55 3.52 0.00 -1.26 -3.20 120.51 121.73 1fa4 n ALA 104 Ca 0.27 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1fa4 n ALA 104 Cb 0.35 -2.47 0.00 0.00 0.00 0.00 0.00 19.45 17.34 1fa4 n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91