#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 1.31 0.49 6.31 2.01 -1.26 -4.19 115.64 120.30 1fa4 s THR 2 Ca 0.00 -0.60 0.08 0.00 0.31 0.00 0.00 61.69 61.48 1fa4 s THR 2 Cb 0.00 -1.16 0.03 0.00 0.01 0.00 0.00 72.50 71.38 1fa4 s THR 2 CO 0.00 0.39 0.57 -0.31 -0.69 0.00 0.00 174.62 174.58 1fa4 s TYR 3 N 0.44 2.14 -0.24 4.92 1.51 -1.23 -5.01 117.35 119.87 1fa4 s TYR 3 Ca -0.12 -0.60 -0.03 0.00 -1.01 0.00 0.00 57.07 55.31 1fa4 s TYR 3 Cb -0.15 -2.20 0.10 0.00 -0.11 0.00 0.00 41.96 39.61 1fa4 s TYR 3 CO 0.04 -0.59 0.20 0.99 -1.11 0.00 0.00 175.55 175.08 1fa4 s THR 4 N -2.55 -0.25 -1.21 -0.71 2.01 -1.26 -2.74 115.64 108.92 1fa4 s THR 4 Ca 0.52 -0.37 -0.06 0.00 0.31 0.00 0.00 61.69 62.09 1fa4 s THR 4 Cb -0.06 -0.82 0.21 0.00 0.01 0.00 0.00 72.50 71.85 1fa4 s THR 4 CO 0.32 -0.41 1.92 1.33 -0.69 0.00 0.00 174.62 177.08 1fa4 n VAL 5 N 5.29 5.09 -1.52 3.82 0.24 -0.77 -4.48 118.33 126.00 1fa4 n VAL 5 Ca -0.05 -4.98 -0.36 0.00 -2.04 0.00 0.00 64.34 56.91 1fa4 n VAL 5 Cb 0.47 -2.09 -0.10 0.00 -1.47 0.00 0.00 33.84 30.64 1fa4 n VAL 5 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1fa4 n LYS 6 N 2.09 0.47 -1.21 7.34 4.81 -0.94 -4.01 118.16 126.72 1fa4 n LYS 6 Ca 0.44 -0.05 -0.32 0.00 -0.87 0.00 0.00 58.31 57.50 1fa4 n LYS 6 Cb 0.31 -2.41 0.11 0.00 0.02 0.00 0.00 35.03 33.05 1fa4 n LYS 6 CO 0.00 0.00 0.00 -0.48 1.17 0.00 0.00 177.40 178.09 1fa4 s LEU 7 N 10.15 3.10 0.21 3.14 2.34 -1.15 -2.72 118.68 133.74 1fa4 s LEU 7 Ca 1.17 2.07 0.00 0.00 0.06 0.00 0.00 54.13 57.44 1fa4 s LEU 7 Cb -0.72 -4.55 0.00 0.00 -0.56 0.00 0.00 46.19 40.36 1fa4 s LEU 7 CO 0.38 -2.34 0.00 0.61 -1.06 0.00 0.00 176.35 173.94 1fa4 n GLY 8 N -0.34 -3.79 0.04 -3.48 0.00 0.32 -3.60 105.19 94.33 1fa4 n GLY 8 Ca 0.11 -0.90 -0.01 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.70 0.19 0.00 1.61 3.41 -1.21 -4.79 113.62 112.14 1fa4 n SER 9 Ca 0.00 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 1fa4 n SER 9 Cb 0.00 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.44 1fa4 n SER 9 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1fa4 n ASP 10 N -2.69 0.00 -0.56 4.04 5.68 -1.26 -4.95 116.55 116.80 1fa4 n ASP 10 Ca -0.01 0.00 0.06 0.00 -0.50 0.00 0.00 54.79 54.33 1fa4 n ASP 10 Cb 0.05 0.00 0.11 0.00 -1.14 0.00 0.00 41.12 40.14 1fa4 n ASP 10 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1fa4 n LYS 11 N 0.00 0.91 0.00 0.11 5.02 -1.26 -5.00 118.16 117.94 1fa4 n LYS 11 Ca 0.00 -2.40 0.00 0.00 -2.02 0.00 0.00 58.31 53.89 1fa4 n LYS 11 Cb 0.00 -1.09 0.00 0.00 -0.02 0.00 0.00 35.03 33.92 1fa4 n LYS 11 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1fa4 n GLY 12 N -0.73 2.40 0.00 0.72 0.00 -1.26 -5.17 105.19 101.15 1fa4 n GLY 12 Ca 0.12 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1fa4 n GLY 12 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1fa4 n LEU 13 N 0.00 0.00 -4.36 0.99 7.99 -1.26 -4.99 117.00 115.36 1fa4 n LEU 13 Ca 0.00 0.00 -0.45 0.00 -0.01 0.00 0.00 56.01 55.55 1fa4 n LEU 13 Cb 0.00 0.00 -0.06 0.00 -0.11 0.00 0.00 43.42 43.25 1fa4 n LEU 13 CO 0.00 0.00 0.15 -0.76 -1.51 0.00 0.00 177.39 175.27 1fa4 s LEU 14 N 0.00 5.76 0.14 2.23 1.43 -1.26 -3.33 118.68 123.65 1fa4 s LEU 14 Ca 0.00 -1.49 0.00 0.00 -1.03 0.00 0.00 54.13 51.62 1fa4 s LEU 14 Cb 0.00 -2.23 -0.04 0.00 0.03 0.00 0.00 46.19 43.94 1fa4 s LEU 14 CO 0.00 -0.81 0.02 0.68 0.23 0.00 0.00 176.35 176.47 1fa4 s VAL 15 N 1.84 0.38 0.17 -1.59 -7.23 -1.26 -3.85 120.40 108.86 1fa4 s VAL 15 Ca 0.06 -1.93 -0.30 0.00 -1.81 0.00 0.00 61.98 58.00 1fa4 s VAL 15 Cb -0.26 -1.99 -0.07 0.00 0.56 0.00 0.00 36.38 34.61 1fa4 s VAL 15 CO 0.06 -0.55 0.95 -0.36 -0.31 0.00 0.00 175.10 174.88 1fa4 s PHE 16 N -3.85 3.90 -0.27 2.82 0.40 -1.26 0.12 117.98 119.83 1fa4 s PHE 16 Ca 0.21 1.85 0.01 0.00 -0.60 0.00 0.00 56.93 58.41 1fa4 s PHE 16 Cb 0.07 -3.02 0.08 0.00 0.51 0.00 0.00 43.02 40.66 1fa4 s PHE 16 CO 0.01 0.33 0.01 -1.21 0.70 0.00 0.00 175.22 175.06 1fa4 s GLU 17 N -0.58 1.36 0.84 0.44 0.41 -1.10 -1.09 118.70 118.97 1fa4 s GLU 17 Ca 0.44 -1.18 -0.12 0.00 -0.41 0.00 0.00 54.97 53.70 1fa4 s GLU 17 Cb -0.25 -2.57 0.09 0.00 -1.78 0.00 0.00 34.13 29.63 1fa4 s GLU 17 CO 0.31 -0.76 1.16 -1.25 -0.49 0.00 0.00 175.26 174.23 1fa4 s PRO 18 N 1.35 1.76 -0.01 0.39 0.04 -1.26 -2.20 135.00 135.07 1fa4 s PRO 18 Ca 0.01 0.20 -0.10 0.00 0.04 0.00 0.00 61.00 61.15 1fa4 s PRO 18 Cb -0.18 -1.92 -0.06 0.00 0.04 0.00 0.00 34.50 32.38 1fa4 s PRO 18 CO -0.11 -1.76 0.69 0.00 0.04 0.00 0.00 177.00 175.86 1fa4 h ALA 19 N -1.18 -0.63 -2.32 8.56 0.00 -1.50 -3.45 119.26 118.75 1fa4 h ALA 19 Ca -0.47 -0.08 -0.50 0.00 0.00 0.00 0.00 54.91 53.86 1fa4 h ALA 19 Cb 1.32 0.15 0.04 0.00 0.00 0.00 0.00 17.79 19.30 1fa4 h ALA 19 CO 0.64 -0.60 0.22 -1.59 0.00 0.00 0.00 179.25 177.92 1fa4 s LYS 20 N -3.02 3.56 -0.03 0.00 -2.85 -1.26 -3.08 119.74 113.05 1fa4 s LYS 20 Ca -0.06 0.39 -0.18 0.00 -1.00 0.00 0.00 55.97 55.12 1fa4 s LYS 20 Cb 0.01 -2.27 0.04 0.00 -2.06 0.00 0.00 37.83 33.54 1fa4 s LYS 20 CO 0.17 -0.33 0.40 -1.17 0.10 0.00 0.00 175.35 174.51 1fa4 s LEU 21 N -4.90 0.47 -0.23 2.77 2.96 -0.92 -4.93 118.68 113.90 1fa4 s LEU 21 Ca 0.50 0.29 -0.04 0.00 -0.22 0.00 0.00 54.13 54.67 1fa4 s LEU 21 Cb -0.11 1.57 -0.01 0.00 0.50 0.00 0.00 46.19 48.15 1fa4 s LEU 21 CO 0.48 -0.46 -0.03 -0.89 -1.32 0.00 0.00 176.35 174.13 1fa4 s THR 22 N -1.16 3.40 0.36 3.68 2.01 -1.26 0.16 115.64 122.82 1fa4 s THR 22 Ca -0.12 -0.53 0.04 0.00 0.31 0.00 0.00 61.69 61.39 1fa4 s THR 22 Cb -0.04 -2.57 -0.03 0.00 0.01 0.00 0.00 72.50 69.87 1fa4 s THR 22 CO 0.05 0.39 0.14 0.27 -0.69 0.00 0.00 174.62 174.78 1fa4 s ILE 23 N 1.47 0.54 0.69 1.82 -4.36 -0.44 -4.90 121.20 116.03 1fa4 s ILE 23 Ca 0.05 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.43 1fa4 s ILE 23 Cb -0.15 -2.47 0.11 0.00 1.25 0.00 0.00 42.46 41.20 1fa4 s ILE 23 CO -0.03 0.00 0.96 -0.54 0.24 0.00 0.00 174.94 175.57 1fa4 s LYS 24 N -3.76 1.84 -0.93 0.37 3.01 -1.26 -3.69 119.74 115.33 1fa4 s LYS 24 Ca 0.31 -1.01 -0.24 0.00 -1.01 0.00 0.00 55.97 54.02 1fa4 s LYS 24 Cb 0.04 -2.35 0.02 0.00 -1.01 0.00 0.00 37.83 34.54 1fa4 s LYS 24 CO 0.16 -1.32 1.55 -1.25 0.51 0.00 0.00 175.35 175.01 1fa4 s PRO 25 N -5.09 3.25 0.00 -1.68 0.04 -1.26 -2.83 135.00 127.43 1fa4 s PRO 25 Ca 0.64 -0.71 0.00 0.00 0.04 0.00 0.00 61.00 60.98 1fa4 s PRO 25 Cb -0.06 -5.05 0.00 0.00 0.04 0.00 0.00 34.50 29.42 1fa4 s PRO 25 CO 0.43 -2.48 0.00 0.41 0.04 0.00 0.00 177.00 175.41 1fa4 n GLY 26 N 6.57 1.07 3.05 0.56 0.00 -1.19 -4.66 105.19 110.59 1fa4 n GLY 26 Ca 0.29 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.68 -4.33 1.61 9.92 -1.13 -4.37 116.55 115.56 1fa4 n ASP 27 Ca 0.00 -0.99 -0.33 0.00 -0.53 0.00 0.00 54.79 52.94 1fa4 n ASP 27 Cb 0.00 -0.90 -0.15 0.00 -0.64 0.00 0.00 41.12 39.43 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 -2.51 2.83 -0.08 -3.53 2.01 -1.26 -2.73 115.64 110.37 1fa4 s THR 28 Ca 0.63 -0.74 0.03 0.00 0.31 0.00 0.00 61.69 61.92 1fa4 s THR 28 Cb -0.08 -2.18 -0.02 0.00 0.01 0.00 0.00 72.50 70.24 1fa4 s THR 28 CO 0.50 0.53 -0.17 -0.69 -0.69 0.00 0.00 174.62 174.10 1fa4 s VAL 29 N 0.42 2.80 -0.19 3.82 1.01 -1.22 -3.51 120.40 123.54 1fa4 s VAL 29 Ca -0.11 -0.79 -0.08 0.00 0.00 0.00 0.00 61.98 61.00 1fa4 s VAL 29 Cb -0.16 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 1fa4 s VAL 29 CO 0.05 0.56 0.07 -0.70 0.00 0.00 0.00 175.10 175.09 1fa4 s GLU 30 N -0.18 3.98 -0.55 2.72 2.12 -1.11 -2.91 118.70 122.77 1fa4 s GLU 30 Ca -0.01 -0.34 0.04 0.00 0.36 0.00 0.00 54.97 55.02 1fa4 s GLU 30 Cb -0.13 -3.24 0.16 0.00 0.26 0.00 0.00 34.13 31.17 1fa4 s GLU 30 CO 0.03 0.25 0.37 -0.06 -0.54 0.00 0.00 175.26 175.32 1fa4 s PHE 31 N 0.43 2.55 0.27 5.30 0.40 -1.25 -1.84 117.98 123.84 1fa4 s PHE 31 Ca 0.04 -2.85 0.00 0.00 -0.60 0.00 0.00 56.93 53.52 1fa4 s PHE 31 Cb -0.12 -2.09 -0.04 0.00 0.51 0.00 0.00 43.02 41.28 1fa4 s PHE 31 CO 0.00 -0.69 0.46 -0.48 0.70 0.00 0.00 175.22 175.21 1fa4 s LEU 32 N -0.53 4.15 0.89 -0.37 2.34 -1.26 -4.33 118.68 119.56 1fa4 s LEU 32 Ca 0.24 0.38 -0.13 0.00 0.06 0.00 0.00 54.13 54.69 1fa4 s LEU 32 Cb -0.10 -3.20 0.13 0.00 -0.56 0.00 0.00 46.19 42.47 1fa4 s LEU 32 CO -0.12 -0.15 1.18 0.54 -1.06 0.00 0.00 176.35 176.74 1fa4 s ASN 33 N -3.63 3.75 0.00 1.48 2.20 -1.26 -2.92 114.94 114.55 1fa4 s ASN 33 Ca 0.39 0.78 0.00 0.00 -0.94 0.00 0.00 52.86 53.09 1fa4 s ASN 33 Cb -0.10 -1.23 0.00 0.00 -2.00 0.00 0.00 41.25 37.91 1fa4 s ASN 33 CO 0.32 -2.38 0.00 -3.20 -2.94 0.00 0.00 177.10 168.89 1fa4 n ASN 34 N -3.63 0.00 -0.04 3.54 5.15 -1.24 -2.89 115.26 116.15 1fa4 n ASN 34 Ca 0.09 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.07 1fa4 n ASN 34 Cb 0.60 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.85 1fa4 n ASN 34 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1fa4 n LYS 35 N -1.25 3.44 -2.06 1.20 4.81 -1.26 -4.93 118.16 118.11 1fa4 n LYS 35 Ca 0.00 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.01 1fa4 n LYS 35 Cb 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.02 1fa4 n LYS 35 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1fa4 s VAL 36 N 4.01 3.59 0.89 3.15 1.01 -1.26 -4.99 120.40 126.80 1fa4 s VAL 36 Ca 0.00 0.64 -0.11 0.00 0.00 0.00 0.00 61.98 62.52 1fa4 s VAL 36 Cb 0.00 -3.66 0.18 0.00 0.00 0.00 0.00 36.38 32.90 1fa4 s VAL 36 CO 0.00 -0.33 1.22 -2.16 0.00 0.00 0.00 175.10 173.83 1fa4 s PRO 37 N 5.04 0.93 0.61 2.72 0.04 -1.26 -4.80 135.00 138.28 1fa4 s PRO 37 Ca 0.75 -0.68 -0.04 0.00 0.04 0.00 0.00 61.00 61.07 1fa4 s PRO 37 Cb -0.25 -2.01 0.03 0.00 0.04 0.00 0.00 34.50 32.32 1fa4 s PRO 37 CO 0.31 -2.13 0.89 -1.25 0.04 0.00 0.00 177.00 174.87 1fa4 s PRO 38 N -5.65 2.55 0.03 0.56 0.04 -1.26 -5.11 135.00 126.16 1fa4 s PRO 38 Ca 0.72 -0.36 0.08 0.00 0.04 0.00 0.00 61.00 61.48 1fa4 s PRO 38 Cb -0.04 -2.32 -0.02 0.00 0.04 0.00 0.00 34.50 32.16 1fa4 s PRO 38 CO 0.50 -0.87 -0.23 -1.01 0.04 0.00 0.00 177.00 175.43 1fa4 s HIS 39 N -2.99 2.00 -0.03 0.56 3.76 -1.26 -4.84 115.29 112.49 1fa4 s HIS 39 Ca 0.57 -0.39 -0.02 0.00 -0.15 0.00 0.00 55.06 55.08 1fa4 s HIS 39 Cb -0.10 -1.22 -0.04 0.00 1.11 0.00 0.00 32.58 32.33 1fa4 s HIS 39 CO 0.42 0.07 0.09 1.21 -0.85 0.00 0.00 174.74 175.68 1fa4 s ASN 40 N -1.03 5.76 -0.15 1.40 3.84 -1.26 -3.92 114.94 119.59 1fa4 s ASN 40 Ca 0.09 0.20 0.02 0.00 0.21 0.00 0.00 52.86 53.38 1fa4 s ASN 40 Cb -0.09 -1.69 0.01 0.00 -0.55 0.00 0.00 41.25 38.93 1fa4 s ASN 40 CO 0.01 0.30 -0.20 -0.69 -2.79 0.00 0.00 177.10 173.73 1fa4 s VAL 41 N -1.14 2.20 0.20 -5.21 1.01 -1.26 -4.26 120.40 111.94 1fa4 s VAL 41 Ca 0.21 -0.93 -0.12 0.00 0.00 0.00 0.00 61.98 61.15 1fa4 s VAL 41 Cb -0.12 -1.89 -0.00 0.00 0.00 0.00 0.00 36.38 34.36 1fa4 s VAL 41 CO 0.11 0.54 0.39 -0.69 0.00 0.00 0.00 175.10 175.46 1fa4 s VAL 42 N 0.88 0.03 -0.19 2.92 1.01 -1.23 -4.00 120.40 119.82 1fa4 s VAL 42 Ca -0.05 -1.33 0.00 0.00 0.00 0.00 0.00 61.98 60.60 1fa4 s VAL 42 Cb -0.15 -1.98 0.02 0.00 0.00 0.00 0.00 36.38 34.27 1fa4 s VAL 42 CO -0.03 -0.13 -0.17 -0.36 0.00 0.00 0.00 175.10 174.41 1fa4 s PHE 43 N -3.98 2.83 0.46 5.22 0.40 -1.26 -1.79 117.98 119.85 1fa4 s PHE 43 Ca 0.19 -1.54 -0.20 0.00 -0.60 0.00 0.00 56.93 54.78 1fa4 s PHE 43 Cb 0.01 -1.96 -0.14 0.00 0.51 0.00 0.00 43.02 41.45 1fa4 s PHE 43 CO 0.04 -0.76 0.13 -3.47 0.70 0.00 0.00 175.22 171.85 1fa4 n ASP 44 N 4.65 -2.65 -0.00 1.36 -0.08 0.29 -4.70 116.55 115.41 1fa4 n ASP 44 Ca -0.20 0.76 0.10 0.00 -1.51 0.00 0.00 54.79 53.94 1fa4 n ASP 44 Cb 0.50 -0.94 -0.13 0.00 2.34 0.00 0.00 41.12 42.89 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 -1.25 3.79 0.96 -1.67 0.00 -1.26 -4.17 120.51 116.90 1fa4 n ALA 45 Ca 0.10 -0.53 0.12 0.00 0.00 0.00 0.00 53.44 53.13 1fa4 n ALA 45 Cb 0.43 -0.72 0.11 0.00 0.00 0.00 0.00 19.45 19.28 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 -1.80 2.46 -2.26 0.00 0.00 -1.26 -4.33 120.51 113.31 1fa4 n ALA 46 Ca 0.00 -0.71 -0.27 0.00 0.00 0.00 0.00 53.44 52.46 1fa4 n ALA 46 Cb 0.41 -0.82 0.01 0.00 0.00 0.00 0.00 19.45 19.06 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 1.35 5.09 -4.85 0.00 7.99 -1.26 -5.04 117.00 120.28 1fa4 n LEU 47 Ca 0.14 -5.02 -0.21 0.00 -0.01 0.00 0.00 56.01 50.91 1fa4 n LEU 47 Cb 0.60 -0.49 -0.04 0.00 -0.11 0.00 0.00 43.42 43.38 1fa4 n LEU 47 CO 0.15 2.14 -0.11 0.54 -1.51 0.00 0.00 177.39 178.59 1fa4 s ASN 48 N -3.32 5.48 0.14 -1.43 2.20 -1.26 -4.39 114.94 112.37 1fa4 s ASN 48 Ca 0.50 -0.34 0.04 0.00 -0.94 0.00 0.00 52.86 52.13 1fa4 s ASN 48 Cb 0.41 -1.24 -0.09 0.00 -2.00 0.00 0.00 41.25 38.33 1fa4 s ASN 48 CO -0.13 -0.19 1.33 1.55 -2.94 0.00 0.00 177.10 176.71 1fa4 h PRO 49 N 1.34 0.10 -0.09 3.55 0.13 -1.95 -3.32 132.00 131.76 1fa4 h PRO 49 Ca -0.47 -0.14 -0.08 0.00 -0.87 0.00 0.00 66.00 64.44 1fa4 h PRO 49 Cb 1.25 0.05 -0.10 0.00 0.13 0.00 0.00 31.00 32.32 1fa4 h PRO 49 CO 0.59 0.97 -0.60 0.00 -0.23 0.00 0.00 178.00 178.73 1fa4 n ALA 50 N -2.42 3.66 -3.26 -0.56 0.00 -1.26 -4.96 120.51 111.71 1fa4 n ALA 50 Ca -0.03 -3.25 -0.22 0.00 0.00 0.00 0.00 53.44 49.94 1fa4 n ALA 50 Cb 0.87 -0.40 -0.04 0.00 0.00 0.00 0.00 19.45 19.88 1fa4 n ALA 50 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1fa4 n LYS 51 N -0.89 -1.34 -3.96 0.00 2.85 -1.25 -4.86 118.16 108.71 1fa4 n LYS 51 Ca 0.20 0.07 -0.35 0.00 -1.05 0.00 0.00 58.31 57.19 1fa4 n LYS 51 Cb 0.77 -3.56 -0.06 0.00 -0.65 0.00 0.00 35.03 31.53 1fa4 n LYS 51 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 1fa4 s SER 52 N -2.34 6.20 -0.88 -5.58 0.01 -1.26 -5.00 113.70 104.85 1fa4 s SER 52 Ca 0.44 0.35 -0.04 0.00 1.31 0.00 0.00 55.95 58.01 1fa4 s SER 52 Cb -0.25 -1.94 0.14 0.00 0.21 0.00 0.00 66.02 64.18 1fa4 s SER 52 CO 0.54 0.33 2.45 0.00 0.41 0.00 0.00 173.24 176.97 1fa4 n ALA 53 N 1.49 6.56 -2.16 1.44 0.00 -1.26 -4.19 120.51 122.38 1fa4 n ALA 53 Ca -0.15 -3.71 0.01 0.00 0.00 0.00 0.00 53.44 49.59 1fa4 n ALA 53 Cb 0.54 -2.37 0.01 0.00 0.00 0.00 0.00 19.45 17.63 1fa4 n ALA 53 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1fa4 n ASP 54 N 0.94 0.30 -0.11 0.00 2.03 -1.26 -4.69 116.55 113.76 1fa4 n ASP 54 Ca 0.54 -1.98 0.01 0.00 0.52 0.00 0.00 54.79 53.88 1fa4 n ASP 54 Cb 0.37 -0.22 0.03 0.00 -0.72 0.00 0.00 41.12 40.58 1fa4 n ASP 54 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1fa4 n LEU 55 N 0.16 2.12 0.00 -2.67 7.99 -1.26 -4.74 117.00 118.59 1fa4 n LEU 55 Ca 0.02 -1.96 0.00 0.00 -0.01 0.00 0.00 56.01 54.06 1fa4 n LEU 55 Cb 0.84 -0.04 0.00 0.00 -0.11 0.00 0.00 43.42 44.11 1fa4 n LEU 55 CO -0.01 0.53 0.00 0.00 -1.51 0.00 0.00 177.39 176.39 1fa4 n ALA 56 N -0.31 2.32 -0.01 -1.18 0.00 -1.26 -4.32 120.51 115.74 1fa4 n ALA 56 Ca 0.02 0.00 0.23 0.00 0.00 0.00 0.00 53.44 53.69 1fa4 n ALA 56 Cb 0.27 0.00 0.63 0.00 0.00 0.00 0.00 19.45 20.35 1fa4 n ALA 56 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1fa4 h LYS 57 N 0.00 0.00 0.00 0.00 1.79 -1.87 0.33 116.57 116.83 1fa4 h LYS 57 Ca 0.00 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1fa4 h LYS 57 Cb 0.00 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1fa4 h LYS 57 CO 0.00 0.00 -1.08 0.45 -1.08 0.00 0.00 179.45 177.74 1fa4 n SER 58 N -3.49 4.60 0.12 0.86 2.88 -1.26 -4.66 113.62 112.67 1fa4 n SER 58 Ca 0.13 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.46 1fa4 n SER 58 Cb 0.95 1.07 -0.14 0.00 -0.75 0.00 0.00 64.21 65.34 1fa4 n SER 58 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1fa4 h LEU 59 N 0.00 0.69 -9.50 2.46 5.85 -1.25 -3.44 115.31 110.13 1fa4 h LEU 59 Ca -0.00 -0.70 -0.53 0.00 0.84 0.00 0.00 57.88 57.49 1fa4 h LEU 59 Cb 0.10 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 1fa4 h LEU 59 CO 0.00 1.54 0.40 -0.44 -0.34 0.00 0.00 178.44 179.60 1fa4 s SER 60 N -7.38 7.37 0.00 1.25 0.01 0.99 -4.88 113.70 111.07 1fa4 s SER 60 Ca -0.07 1.79 0.28 0.00 1.31 0.00 0.00 55.95 59.25 1fa4 s SER 60 Cb 0.06 -2.58 0.99 0.00 0.21 0.00 0.00 66.02 64.69 1fa4 s SER 60 CO 0.92 -0.21 1.75 0.00 0.41 0.00 0.00 173.24 176.10 1fa4 n HIS 61 N 3.38 0.00 -3.46 2.43 1.44 -1.26 -4.89 115.22 112.86 1fa4 n HIS 61 Ca 0.05 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.77 1fa4 n HIS 61 Cb 0.49 -0.39 -0.00 0.00 0.12 0.00 0.00 29.99 30.21 1fa4 n HIS 61 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1fa4 n LYS 62 N -1.46 -0.17 -0.33 -1.40 4.76 -1.26 -4.98 118.16 113.33 1fa4 n LYS 62 Ca 0.07 0.11 0.04 0.00 -2.87 0.00 0.00 58.31 55.67 1fa4 n LYS 62 Cb 0.33 -0.21 -0.01 0.00 -1.84 0.00 0.00 35.03 33.30 1fa4 n LYS 62 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 1fa4 n GLN 63 N -1.61 -0.66 -4.40 1.97 7.27 -1.26 -4.88 117.38 113.81 1fa4 n GLN 63 Ca 0.00 0.43 -0.26 0.00 0.07 0.00 0.00 57.00 57.24 1fa4 n GLN 63 Cb 0.04 -0.80 -0.11 0.00 2.41 0.00 0.00 30.24 31.78 1fa4 n GLN 63 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1fa4 s LEU 64 N 0.00 2.61 0.00 1.69 1.02 -1.26 -4.78 118.68 117.96 1fa4 s LEU 64 Ca 0.00 -0.83 -0.06 0.00 0.02 0.00 0.00 54.13 53.26 1fa4 s LEU 64 Cb 0.00 -1.28 0.11 0.00 0.02 0.00 0.00 46.19 45.04 1fa4 s LEU 64 CO 0.00 0.09 0.67 0.18 0.02 0.00 0.00 176.35 177.31 1fa4 n LEU 65 N -0.02 0.00 0.00 1.79 4.32 -1.25 -4.99 117.00 116.85 1fa4 n LEU 65 Ca -0.10 -0.91 0.00 0.00 -0.02 0.00 0.00 56.01 54.97 1fa4 n LEU 65 Cb 0.57 -0.49 0.00 0.00 -1.62 0.00 0.00 43.42 41.88 1fa4 n LEU 65 CO 0.33 -0.93 0.00 0.80 -1.22 0.00 0.00 177.39 176.36 1fa4 n MET 66 N -2.36 0.00 -3.01 3.23 1.56 -1.26 -4.71 117.12 110.58 1fa4 n MET 66 Ca 0.09 0.00 -0.35 0.00 -0.27 0.00 0.00 57.70 57.17 1fa4 n MET 66 Cb 0.32 0.00 -0.06 0.00 2.15 0.00 0.00 33.22 35.62 1fa4 n MET 66 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 1fa4 s SER 67 N -0.99 7.00 -0.95 6.12 0.15 -1.26 -4.98 113.70 118.79 1fa4 s SER 67 Ca 0.00 1.50 -0.24 0.00 0.70 0.00 0.00 55.95 57.91 1fa4 s SER 67 Cb 0.00 -2.45 0.04 0.00 -1.71 0.00 0.00 66.02 61.89 1fa4 s SER 67 CO 0.00 -0.13 1.46 -2.16 1.20 0.00 0.00 173.24 173.61 1fa4 s PRO 68 N -2.51 3.42 0.00 5.44 0.04 -1.26 -3.09 135.00 137.05 1fa4 s PRO 68 Ca 0.51 -0.85 0.00 0.00 0.04 0.00 0.00 61.00 60.70 1fa4 s PRO 68 Cb -0.14 -5.09 0.00 0.00 0.04 0.00 0.00 34.50 29.32 1fa4 s PRO 68 CO 0.19 -2.29 0.00 0.41 0.04 0.00 0.00 177.00 175.35 1fa4 n GLY 69 N 6.56 0.90 2.92 0.56 0.00 -1.14 -4.95 105.19 110.03 1fa4 n GLY 69 Ca 0.27 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.99 1fa4 n GLY 69 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1fa4 s GLN 70 N -0.81 1.31 0.00 1.61 0.74 -1.18 -4.53 119.66 116.80 1fa4 s GLN 70 Ca 0.00 -1.41 0.00 0.00 0.05 0.00 0.00 55.36 54.00 1fa4 s GLN 70 Cb 0.00 -2.69 0.00 0.00 1.10 0.00 0.00 33.01 31.42 1fa4 s GLN 70 CO 0.00 -0.86 0.00 -1.13 -0.55 0.00 0.00 175.29 172.75 1fa4 n SER 71 N 4.54 0.00 -3.53 6.67 3.41 -1.26 -4.17 113.62 119.27 1fa4 n SER 71 Ca -0.02 0.00 -0.18 0.00 -0.26 0.00 0.00 58.87 58.41 1fa4 n SER 71 Cb 0.42 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.31 1fa4 n SER 71 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1fa4 s THR 72 N 1.43 0.00 -0.51 6.66 2.01 -1.26 -5.03 115.64 118.93 1fa4 s THR 72 Ca 0.00 -0.00 -0.17 0.00 0.31 0.00 0.00 61.69 61.83 1fa4 s THR 72 Cb 0.00 -1.00 0.08 0.00 0.01 0.00 0.00 72.50 71.59 1fa4 s THR 72 CO 0.00 -0.00 0.53 -0.94 -0.69 0.00 0.00 174.62 173.52 1fa4 s SER 73 N -1.12 6.18 -0.61 3.53 1.04 -1.26 -3.87 113.70 117.59 1fa4 s SER 73 Ca -0.11 -1.28 -0.27 0.00 0.48 0.00 0.00 55.95 54.77 1fa4 s SER 73 Cb -0.00 -2.24 0.02 0.00 0.10 0.00 0.00 66.02 63.89 1fa4 s SER 73 CO 0.10 -0.83 1.41 -0.89 0.98 0.00 0.00 173.24 174.01 1fa4 s THR 74 N 2.11 3.74 -0.94 2.02 2.01 -1.15 -4.91 115.64 118.53 1fa4 s THR 74 Ca 0.09 0.57 -0.24 0.00 0.31 0.00 0.00 61.69 62.41 1fa4 s THR 74 Cb -0.23 -4.53 0.04 0.00 0.01 0.00 0.00 72.50 67.78 1fa4 s THR 74 CO 0.08 -1.33 1.45 -0.89 -0.69 0.00 0.00 174.62 173.24 1fa4 s THR 75 N 6.24 3.83 1.01 -0.82 2.01 -1.26 -3.41 115.64 123.23 1fa4 s THR 75 Ca 0.49 -0.44 -0.21 0.00 0.31 0.00 0.00 61.69 61.84 1fa4 s THR 75 Cb -0.10 -4.93 -0.11 0.00 0.01 0.00 0.00 72.50 67.37 1fa4 s THR 75 CO 0.22 -1.83 -0.86 0.49 -0.69 0.00 0.00 174.62 171.95 1fa4 n PHE 76 N 9.44 -2.78 -1.44 4.92 3.01 -1.11 -4.93 117.46 124.58 1fa4 n PHE 76 Ca 0.26 0.29 -0.29 0.00 1.01 0.00 0.00 57.45 58.72 1fa4 n PHE 76 Cb 0.50 -1.47 0.18 0.00 -0.01 0.00 0.00 39.48 38.69 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 -2.38 0.22 0.00 -1.08 0.04 -1.26 -4.69 135.00 125.85 1fa4 s PRO 77 Ca 0.42 0.06 0.06 0.00 0.04 0.00 0.00 61.00 61.59 1fa4 s PRO 77 Cb -0.06 -1.75 0.35 0.00 0.04 0.00 0.00 34.50 33.08 1fa4 s PRO 77 CO 0.72 -2.77 1.23 0.00 0.04 0.00 0.00 177.00 176.22 1fa4 n ALA 78 N -4.12 2.53 -0.46 8.56 0.00 -1.26 -3.17 120.51 122.59 1fa4 n ALA 78 Ca 0.10 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1fa4 n ALA 78 Cb 0.59 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.95 1fa4 n ALA 78 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1fa4 n ASP 79 N -0.53 0.00 -3.49 0.00 8.00 -1.26 -4.84 116.55 114.43 1fa4 n ASP 79 Ca 0.05 0.01 -0.19 0.00 0.71 0.00 0.00 54.79 55.37 1fa4 n ASP 79 Cb 0.04 -0.27 0.00 0.00 -0.02 0.00 0.00 41.12 40.87 1fa4 n ASP 79 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1fa4 n ALA 80 N -2.02 -2.35 -1.65 2.24 0.00 -1.26 -4.65 120.51 110.82 1fa4 n ALA 80 Ca 0.00 -0.22 -0.31 0.00 0.00 0.00 0.00 53.44 52.91 1fa4 n ALA 80 Cb 0.00 -0.55 0.03 0.00 0.00 0.00 0.00 19.45 18.93 1fa4 n ALA 80 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1fa4 s PRO 81 N -4.30 3.20 -0.79 0.00 0.04 -1.26 -4.31 135.00 127.58 1fa4 s PRO 81 Ca 0.01 0.99 -0.27 0.00 0.04 0.00 0.00 61.00 61.77 1fa4 s PRO 81 Cb -0.01 -2.02 -0.17 0.00 0.04 0.00 0.00 34.50 32.34 1fa4 s PRO 81 CO 0.67 -0.89 2.53 0.00 0.04 0.00 0.00 177.00 179.35 1fa4 n ALA 82 N -2.69 0.55 -3.57 8.56 0.00 -1.08 -4.81 120.51 117.47 1fa4 n ALA 82 Ca 0.08 -0.65 -0.12 0.00 0.00 0.00 0.00 53.44 52.74 1fa4 n ALA 82 Cb 0.53 -2.71 -0.05 0.00 0.00 0.00 0.00 19.45 17.22 1fa4 n ALA 82 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1fa4 s GLY 83 N 9.73 -0.33 0.21 0.00 0.00 -1.16 -5.01 107.32 110.76 1fa4 s GLY 83 Ca 1.18 1.88 -0.28 0.00 0.00 0.00 0.00 44.72 47.50 1fa4 s GLY 83 CO 0.38 1.02 0.87 -0.54 0.00 0.00 0.00 173.10 174.83 1fa4 s GLU 84 N -1.11 4.73 0.09 2.90 2.02 -1.26 -3.86 118.70 122.21 1fa4 s GLU 84 Ca -0.04 1.35 0.10 0.00 0.02 0.00 0.00 54.97 56.40 1fa4 s GLU 84 Cb -0.00 -3.26 -0.04 0.00 0.10 0.00 0.00 34.13 30.93 1fa4 s GLU 84 CO 0.03 0.54 -0.24 0.71 0.02 0.00 0.00 175.26 176.32 1fa4 s TYR 85 N -1.18 2.39 -0.10 1.61 1.51 -0.52 -4.42 117.35 116.65 1fa4 s TYR 85 Ca 0.39 -0.35 -0.01 0.00 -1.01 0.00 0.00 57.07 56.09 1fa4 s TYR 85 Cb -0.25 -1.34 0.03 0.00 -0.11 0.00 0.00 41.96 40.30 1fa4 s TYR 85 CO 0.29 0.28 -0.01 0.99 -1.11 0.00 0.00 175.55 175.99 1fa4 s THR 86 N -0.99 0.53 0.43 -0.71 2.01 -1.26 -1.13 115.64 114.53 1fa4 s THR 86 Ca 0.14 -0.07 0.07 0.00 0.31 0.00 0.00 61.69 62.14 1fa4 s THR 86 Cb -0.10 -0.72 -0.03 0.00 0.01 0.00 0.00 72.50 71.67 1fa4 s THR 86 CO 0.06 0.21 0.29 0.72 -0.69 0.00 0.00 174.62 175.21 1fa4 s PHE 87 N 1.90 2.50 0.00 4.92 -0.71 -0.76 -0.55 117.98 125.28 1fa4 s PHE 87 Ca 0.04 -0.59 0.00 0.00 -1.04 0.00 0.00 56.93 55.34 1fa4 s PHE 87 Cb -0.13 -2.04 0.00 0.00 -1.21 0.00 0.00 43.02 39.64 1fa4 s PHE 87 CO -0.06 -0.04 0.00 2.48 -1.34 0.00 0.00 175.22 176.26 1fa4 n TYR 88 N -1.45 -0.36 -4.54 3.49 4.11 -0.74 -1.33 117.16 116.34 1fa4 n TYR 88 Ca 0.01 0.00 -0.24 0.00 -0.00 0.00 0.00 57.90 57.67 1fa4 n TYR 88 Cb 0.63 0.00 -0.14 0.00 -0.00 0.00 0.00 39.34 39.84 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 4.86 0.34 0.00 0.00 4.57 -1.93 -3.39 114.58 119.02 1fa4 h GLU 90 Ca -0.41 -0.58 0.00 0.00 -1.18 0.00 0.00 59.36 57.19 1fa4 h GLU 90 Cb 1.17 0.21 0.00 0.00 -0.16 0.00 0.00 28.75 29.97 1fa4 h GLU 90 CO 0.44 1.28 0.00 -0.35 -1.18 0.00 0.00 179.01 179.19 1fa4 n PRO 91 N -3.91 0.00 -0.80 0.92 -0.04 -1.26 -4.28 135.00 125.63 1fa4 n PRO 91 Ca -0.20 0.22 -0.41 0.00 -0.04 0.00 0.00 63.50 63.07 1fa4 n PRO 91 Cb 0.94 -0.77 -0.08 0.00 -0.04 0.00 0.00 33.50 33.55 1fa4 n PRO 91 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1fa4 n HIS 92 N -1.16 0.95 0.55 0.54 8.25 -1.26 -4.38 115.22 118.71 1fa4 n HIS 92 Ca 0.00 -1.18 0.12 0.00 -0.26 0.00 0.00 57.72 56.39 1fa4 n HIS 92 Cb 0.00 -1.24 0.11 0.00 1.12 0.00 0.00 29.99 29.98 1fa4 n HIS 92 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1fa4 n ARG 93 N 7.24 0.30 -0.02 -0.41 3.00 -1.26 -3.65 116.66 121.86 1fa4 n ARG 93 Ca 0.46 0.05 0.13 0.00 -0.00 0.00 0.00 57.85 58.49 1fa4 n ARG 93 Cb 0.38 -1.65 0.58 0.00 0.00 0.00 0.00 32.46 31.77 1fa4 n ARG 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1fa4 n GLY 94 N 1.34 -0.26 1.43 5.14 0.00 -1.26 -3.68 105.19 107.90 1fa4 n GLY 94 Ca 0.03 -0.35 -0.11 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.15 4.64 -3.85 4.61 0.00 -1.24 -4.93 120.51 119.59 1fa4 n ALA 95 Ca 0.19 -3.36 -0.28 0.00 0.00 0.00 0.00 53.44 49.98 1fa4 n ALA 95 Cb 0.26 -0.70 -0.05 0.00 0.00 0.00 0.00 19.45 18.96 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 -1.01 -0.43 3.38 0.00 0.00 -1.24 -4.39 105.19 101.49 1fa4 n GLY 96 Ca 0.37 0.05 -0.38 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.54 0.81 -3.79 1.61 2.81 -1.25 -4.78 117.12 108.99 1fa4 n MET 97 Ca 0.08 -1.63 -0.27 0.00 -1.81 0.00 0.00 57.70 54.07 1fa4 n MET 97 Cb 0.47 -3.03 -0.16 0.00 -0.71 0.00 0.00 33.22 29.78 1fa4 n MET 97 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1fa4 s VAL 98 N 8.27 0.72 0.29 2.03 1.01 -1.26 -1.63 120.40 129.84 1fa4 s VAL 98 Ca 0.66 -0.56 0.05 0.00 0.00 0.00 0.00 61.98 62.13 1fa4 s VAL 98 Cb 0.10 -1.10 0.05 0.00 0.00 0.00 0.00 36.38 35.43 1fa4 s VAL 98 CO 0.21 -0.08 0.40 0.61 0.00 0.00 0.00 175.10 176.25 1fa4 n GLY 99 N 4.99 1.97 3.51 4.51 0.00 -0.44 -4.79 105.19 114.94 1fa4 n GLY 99 Ca -0.10 -2.18 -0.15 0.00 0.00 0.00 0.00 46.02 43.59 1fa4 n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fa4 s LYS 100 N -3.33 0.87 -0.10 1.61 1.02 -1.18 -1.84 119.74 116.80 1fa4 s LYS 100 Ca 0.31 0.55 -0.00 0.00 0.02 0.00 0.00 55.97 56.84 1fa4 s LYS 100 Cb -0.02 0.42 -0.03 0.00 -0.52 0.00 0.00 37.83 37.68 1fa4 s LYS 100 CO 0.19 -0.20 -0.07 0.42 -0.92 0.00 0.00 175.35 174.78 1fa4 s ILE 101 N -0.42 3.64 -0.50 2.17 1.01 -0.28 -2.18 121.20 124.64 1fa4 s ILE 101 Ca -0.06 -0.48 -0.02 0.00 0.00 0.00 0.00 60.65 60.10 1fa4 s ILE 101 Cb -0.03 -2.52 0.13 0.00 0.01 0.00 0.00 42.46 40.05 1fa4 s ILE 101 CO 0.05 0.56 0.29 -0.89 0.00 0.00 0.00 174.94 174.95 1fa4 s THR 102 N -0.33 3.30 -0.24 2.92 2.01 0.42 -1.44 115.64 122.28 1fa4 s THR 102 Ca 0.05 -2.56 -0.11 0.00 0.31 0.00 0.00 61.69 59.38 1fa4 s THR 102 Cb -0.13 -3.23 -0.05 0.00 0.01 0.00 0.00 72.50 69.10 1fa4 s THR 102 CO 0.02 -0.77 0.17 -0.69 -0.69 0.00 0.00 174.62 172.66 1fa4 s VAL 103 N 0.51 5.35 0.00 3.82 1.01 -1.25 -1.33 120.40 128.51 1fa4 s VAL 103 Ca 0.13 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.30 1fa4 s VAL 103 Cb -0.22 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.65 1fa4 s VAL 103 CO -0.04 0.34 0.00 0.00 0.00 0.00 0.00 175.10 175.40 1fa4 n ALA 104 N 4.34 0.00 1.85 5.51 0.00 -1.24 -2.97 120.51 128.00 1fa4 n ALA 104 Ca -0.15 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.45 1fa4 n ALA 104 Cb 0.52 0.00 0.82 0.00 0.00 0.00 0.00 19.45 20.79 1fa4 n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91