#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 2.08 -0.36 2.62 2.01 -1.26 -2.97 115.64 117.76 1fa4 s THR 2 Ca 0.00 -1.05 0.03 0.00 0.31 0.00 0.00 61.69 60.98 1fa4 s THR 2 Cb 0.00 -1.76 0.10 0.00 0.01 0.00 0.00 72.50 70.86 1fa4 s THR 2 CO 0.00 0.57 0.09 -0.31 -0.69 0.00 0.00 174.62 174.28 1fa4 s TYR 3 N -0.05 3.10 -1.12 4.92 1.51 -1.02 -4.93 117.35 119.75 1fa4 s TYR 3 Ca -0.07 -2.68 -0.17 0.00 -1.01 0.00 0.00 57.07 53.15 1fa4 s TYR 3 Cb -0.15 -2.56 0.14 0.00 -0.11 0.00 0.00 41.96 39.28 1fa4 s TYR 3 CO 0.05 -0.90 1.39 0.99 -1.11 0.00 0.00 175.55 175.96 1fa4 s THR 4 N 0.93 4.73 -0.54 -0.71 2.01 -1.25 0.57 115.64 121.37 1fa4 s THR 4 Ca 0.12 -2.08 -0.27 0.00 0.31 0.00 0.00 61.69 59.77 1fa4 s THR 4 Cb -0.20 -4.92 0.03 0.00 0.01 0.00 0.00 72.50 67.42 1fa4 s THR 4 CO -0.11 -1.67 1.07 0.68 -0.69 0.00 0.00 174.62 173.91 1fa4 s VAL 5 N 2.54 4.21 -0.60 3.82 -7.23 -0.15 -4.91 120.40 118.07 1fa4 s VAL 5 Ca 0.41 0.75 -0.20 0.00 -1.81 0.00 0.00 61.98 61.13 1fa4 s VAL 5 Cb -0.02 -4.62 0.09 0.00 0.56 0.00 0.00 36.38 32.39 1fa4 s VAL 5 CO -0.03 -1.16 0.79 -0.75 -0.31 0.00 0.00 175.10 173.64 1fa4 s LYS 6 N 4.43 3.08 1.28 4.82 2.20 -1.26 -2.57 119.74 131.71 1fa4 s LYS 6 Ca 0.39 -1.08 -0.16 0.00 -0.36 0.00 0.00 55.97 54.76 1fa4 s LYS 6 Cb -0.09 -4.23 0.32 0.00 -1.51 0.00 0.00 37.83 32.32 1fa4 s LYS 6 CO 0.25 -1.59 0.94 1.47 -0.36 0.00 0.00 175.35 176.06 1fa4 n LEU 7 N 6.79 -1.56 -2.33 5.43 -0.00 -1.19 -4.43 117.00 119.72 1fa4 n LEU 7 Ca -0.07 -0.39 -0.00 0.00 -0.00 0.00 0.00 56.01 55.55 1fa4 n LEU 7 Cb 0.44 -1.17 0.00 0.00 -0.00 0.00 0.00 43.42 42.69 1fa4 n LEU 7 CO 0.60 -3.71 0.18 0.61 -0.00 0.00 0.00 177.39 175.07 1fa4 n GLY 8 N 1.33 -0.81 0.00 1.47 0.00 -0.96 -3.12 105.19 103.09 1fa4 n GLY 8 Ca 0.05 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.37 0.00 0.00 1.61 3.41 -1.24 -4.63 113.62 111.40 1fa4 n SER 9 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1fa4 n SER 9 Cb 0.49 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 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 0.00 -1.92 4.04 2.03 -1.26 -4.97 116.55 114.47 1fa4 n ASP 10 Ca 0.00 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 55.09 1fa4 n ASP 10 Cb 0.00 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 40.45 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 3.24 0.00 -0.67 5.02 -1.26 -4.94 118.16 119.55 1fa4 n LYS 11 Ca 0.00 -3.92 0.00 0.00 -2.02 0.00 0.00 58.31 52.37 1fa4 n LYS 11 Cb 0.00 -2.21 0.00 0.00 -0.02 0.00 0.00 35.03 32.80 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 -0.79 1.24 0.00 0.72 0.00 -1.26 -5.19 105.19 99.91 1fa4 n GLY 12 Ca 0.45 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.63 1fa4 n GLY 12 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1fa4 n LEU 13 N 0.00 0.00 -4.45 0.99 -0.00 -1.26 -5.05 117.00 107.23 1fa4 n LEU 13 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 56.01 55.58 1fa4 n LEU 13 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.33 1fa4 n LEU 13 CO 0.00 0.00 0.02 -0.76 -0.00 0.00 0.00 177.39 176.65 1fa4 s LEU 14 N 0.00 5.12 0.18 -1.96 1.43 -1.26 -3.62 118.68 118.56 1fa4 s LEU 14 Ca 0.00 -0.90 -0.10 0.00 -1.03 0.00 0.00 54.13 52.10 1fa4 s LEU 14 Cb 0.00 -2.25 -0.01 0.00 0.03 0.00 0.00 46.19 43.97 1fa4 s LEU 14 CO 0.00 -0.54 0.32 0.68 0.23 0.00 0.00 176.35 177.04 1fa4 s VAL 15 N 1.86 0.05 0.04 -1.59 -7.23 -1.26 -3.80 120.40 108.47 1fa4 s VAL 15 Ca 0.07 -1.35 -0.24 0.00 -1.81 0.00 0.00 61.98 58.66 1fa4 s VAL 15 Cb -0.19 -1.86 -0.06 0.00 0.56 0.00 0.00 36.38 34.83 1fa4 s VAL 15 CO 0.11 -0.25 0.72 -0.36 -0.31 0.00 0.00 175.10 175.01 1fa4 s PHE 16 N -3.97 3.74 -0.25 2.82 0.08 -1.26 -2.27 117.98 116.87 1fa4 s PHE 16 Ca 0.17 1.41 0.01 0.00 0.12 0.00 0.00 56.93 58.65 1fa4 s PHE 16 Cb 0.03 -2.76 0.07 0.00 -0.57 0.00 0.00 43.02 39.79 1fa4 s PHE 16 CO 0.01 0.32 -0.03 -1.21 -0.10 0.00 0.00 175.22 174.20 1fa4 s GLU 17 N -0.19 1.54 0.96 0.44 2.02 -1.26 -1.88 118.70 120.32 1fa4 s GLU 17 Ca 0.36 -1.08 -0.15 0.00 0.02 0.00 0.00 54.97 54.12 1fa4 s GLU 17 Cb -0.20 -2.60 0.18 0.00 0.10 0.00 0.00 34.13 31.61 1fa4 s GLU 17 CO 0.22 -0.66 1.26 -1.25 0.02 0.00 0.00 175.26 174.85 1fa4 s PRO 18 N 1.37 0.72 0.04 0.39 0.04 -1.26 -4.18 135.00 132.12 1fa4 s PRO 18 Ca -0.03 -0.22 -0.15 0.00 0.04 0.00 0.00 61.00 60.64 1fa4 s PRO 18 Cb -0.19 -1.84 -0.34 0.00 0.04 0.00 0.00 34.50 32.17 1fa4 s PRO 18 CO -0.08 -2.39 1.03 0.00 0.04 0.00 0.00 177.00 175.60 1fa4 h ALA 19 N -1.63 -0.12 -3.47 8.56 0.00 -1.74 -3.45 119.26 117.42 1fa4 h ALA 19 Ca -0.45 -0.85 -0.67 0.00 0.00 0.00 0.00 54.91 52.94 1fa4 h ALA 19 Cb 1.27 0.15 -0.18 0.00 0.00 0.00 0.00 17.79 19.03 1fa4 h ALA 19 CO 0.45 0.71 -0.66 -1.59 0.00 0.00 0.00 179.25 178.16 1fa4 s LYS 20 N -2.67 3.01 -0.19 0.00 -2.85 -1.26 -1.73 119.74 114.05 1fa4 s LYS 20 Ca -0.09 -0.49 -0.03 0.00 -1.00 0.00 0.00 55.97 54.37 1fa4 s LYS 20 Cb 0.05 -2.73 0.06 0.00 -2.06 0.00 0.00 37.83 33.14 1fa4 s LYS 20 CO 0.94 0.60 0.04 -0.51 0.10 0.00 0.00 175.35 176.53 1fa4 s LEU 21 N -0.62 1.02 -0.72 2.77 1.43 -0.07 -4.95 118.68 117.54 1fa4 s LEU 21 Ca 0.10 -0.76 -0.24 0.00 -1.03 0.00 0.00 54.13 52.19 1fa4 s LEU 21 Cb -0.12 -0.53 0.05 0.00 0.03 0.00 0.00 46.19 45.63 1fa4 s LEU 21 CO 0.02 -0.31 1.13 -0.89 0.23 0.00 0.00 176.35 176.53 1fa4 s THR 22 N 1.91 4.05 0.51 5.49 2.01 -1.26 0.34 115.64 128.68 1fa4 s THR 22 Ca -0.00 -0.07 0.08 0.00 0.31 0.00 0.00 61.69 62.00 1fa4 s THR 22 Cb -0.17 -4.81 0.09 0.00 0.01 0.00 0.00 72.50 67.62 1fa4 s THR 22 CO -0.08 -1.66 0.70 2.30 -0.69 0.00 0.00 174.62 175.19 1fa4 n ILE 23 N 6.16 0.00 -2.74 1.82 -5.35 0.23 -4.84 119.36 114.64 1fa4 n ILE 23 Ca 0.02 -1.66 -0.21 0.00 -0.27 0.00 0.00 62.75 60.63 1fa4 n ILE 23 Cb 0.47 -0.60 0.10 0.00 -1.74 0.00 0.00 39.64 37.87 1fa4 n ILE 23 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1fa4 n LYS 24 N -2.12 0.16 -1.46 6.28 4.76 -1.26 -2.81 118.16 121.71 1fa4 n LYS 24 Ca 0.14 -2.70 -0.40 0.00 -2.87 0.00 0.00 58.31 52.49 1fa4 n LYS 24 Cb 0.52 -0.50 -0.02 0.00 -1.84 0.00 0.00 35.03 33.19 1fa4 n LYS 24 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1fa4 n PRO 25 N -2.57 2.80 0.00 1.97 -0.04 -1.26 -4.14 135.00 131.77 1fa4 n PRO 25 Ca 0.16 -2.29 0.00 0.00 -0.04 0.00 0.00 63.50 61.32 1fa4 n PRO 25 Cb 0.56 -3.04 0.00 0.00 -0.04 0.00 0.00 33.50 30.98 1fa4 n PRO 25 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1fa4 n GLY 26 N 4.01 0.68 0.00 0.55 0.00 -1.25 -4.08 105.19 105.11 1fa4 n GLY 26 Ca 0.58 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 -3.38 1.61 9.92 -1.25 -4.65 116.55 118.79 1fa4 n ASP 27 Ca 0.00 0.00 -0.16 0.00 -0.53 0.00 0.00 54.79 54.10 1fa4 n ASP 27 Cb 0.00 0.00 -0.09 0.00 -0.64 0.00 0.00 41.12 40.39 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 2.97 -0.44 -0.29 -3.53 2.01 -1.16 -1.76 115.64 113.44 1fa4 s THR 28 Ca 0.00 -0.48 -0.11 0.00 0.31 0.00 0.00 61.69 61.40 1fa4 s THR 28 Cb 0.00 -0.97 -0.05 0.00 0.01 0.00 0.00 72.50 71.49 1fa4 s THR 28 CO 0.00 -0.44 0.20 -0.69 -0.69 0.00 0.00 174.62 173.00 1fa4 s VAL 29 N 2.34 5.30 0.18 3.82 1.01 -1.11 -2.42 120.40 129.52 1fa4 s VAL 29 Ca 0.10 0.14 0.03 0.00 0.00 0.00 0.00 61.98 62.24 1fa4 s VAL 29 Cb -0.14 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 1fa4 s VAL 29 CO -0.31 0.22 0.32 -0.70 0.00 0.00 0.00 175.10 174.62 1fa4 s GLU 30 N 1.77 3.45 -0.02 2.72 2.12 0.19 -2.89 118.70 126.03 1fa4 s GLU 30 Ca 0.07 -0.61 -0.13 0.00 0.36 0.00 0.00 54.97 54.66 1fa4 s GLU 30 Cb -0.16 -2.93 0.02 0.00 0.26 0.00 0.00 34.13 31.32 1fa4 s GLU 30 CO 0.11 0.48 0.27 -0.06 -0.54 0.00 0.00 175.26 175.52 1fa4 s PHE 31 N -1.83 -0.14 0.03 5.30 0.08 -1.24 -0.98 117.98 119.21 1fa4 s PHE 31 Ca 0.35 0.22 0.01 0.00 0.12 0.00 0.00 56.93 57.62 1fa4 s PHE 31 Cb -0.10 0.06 -0.00 0.00 -0.57 0.00 0.00 43.02 42.41 1fa4 s PHE 31 CO 0.29 -0.35 0.03 1.28 -0.10 0.00 0.00 175.22 176.37 1fa4 n LEU 32 N 1.45 0.00 -4.63 -0.37 4.32 -1.06 -1.97 117.00 114.74 1fa4 n LEU 32 Ca -0.21 -0.31 -0.23 0.00 -0.02 0.00 0.00 56.01 55.24 1fa4 n LEU 32 Cb 0.56 0.19 -0.07 0.00 -1.62 0.00 0.00 43.42 42.47 1fa4 n LEU 32 CO 0.21 -0.06 -0.34 0.54 -1.22 0.00 0.00 177.39 176.53 1fa4 s ASN 33 N -1.23 4.45 0.00 -1.43 4.22 -1.26 -3.20 114.94 116.49 1fa4 s ASN 33 Ca 0.04 -0.68 0.00 0.00 -2.14 0.00 0.00 52.86 50.08 1fa4 s ASN 33 Cb 0.00 -0.79 0.00 0.00 1.28 0.00 0.00 41.25 41.74 1fa4 s ASN 33 CO 0.03 0.01 0.00 -3.20 -2.04 0.00 0.00 177.10 171.89 1fa4 n ASN 34 N -0.86 0.00 -2.43 3.54 5.15 -1.18 -2.54 115.26 116.94 1fa4 n ASN 34 Ca -0.06 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.92 1fa4 n ASN 34 Cb 0.59 0.00 0.05 0.00 -0.53 0.00 0.00 39.78 39.89 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 0.00 1.21 -2.94 1.20 3.00 -1.26 -4.48 118.16 114.89 1fa4 n LYS 35 Ca 0.00 -2.76 -0.14 0.00 -0.00 0.00 0.00 58.31 55.42 1fa4 n LYS 35 Cb 0.00 -0.89 0.02 0.00 0.00 0.00 0.00 35.03 34.17 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 -0.45 -0.15 -1.73 3.15 0.31 -1.26 -5.13 118.33 113.08 1fa4 n VAL 36 Ca 0.02 -2.85 -0.29 0.00 -0.01 0.00 0.00 64.34 61.21 1fa4 n VAL 36 Cb 0.88 0.47 0.16 0.00 -0.91 0.00 0.00 33.84 34.45 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 -0.74 0.75 0.00 5.55 0.04 -1.26 -4.83 135.00 134.51 1fa4 s PRO 37 Ca 0.31 -0.11 0.00 0.00 0.04 0.00 0.00 61.00 61.24 1fa4 s PRO 37 Cb 0.29 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.99 1fa4 s PRO 37 CO -0.10 -2.38 0.00 -0.35 0.04 0.00 0.00 177.00 174.21 1fa4 n PRO 38 N -3.81 1.01 -3.62 0.56 -0.04 -1.26 -5.13 135.00 122.70 1fa4 n PRO 38 Ca 0.12 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.55 1fa4 n PRO 38 Cb 0.60 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 34.00 1fa4 n PRO 38 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1fa4 s HIS 39 N 0.07 -1.11 -0.38 0.54 3.76 -1.26 -4.85 115.29 112.06 1fa4 s HIS 39 Ca 0.00 2.05 -0.13 0.00 -0.15 0.00 0.00 55.06 56.83 1fa4 s HIS 39 Cb 0.00 0.67 0.01 0.00 1.11 0.00 0.00 32.58 34.37 1fa4 s HIS 39 CO 0.00 -0.55 0.26 1.21 -0.85 0.00 0.00 174.74 174.81 1fa4 s ASN 40 N 2.25 6.00 -0.20 1.40 3.84 -1.26 -3.10 114.94 123.86 1fa4 s ASN 40 Ca -0.07 -0.75 -0.09 0.00 0.21 0.00 0.00 52.86 52.15 1fa4 s ASN 40 Cb -0.08 -2.12 -0.04 0.00 -0.55 0.00 0.00 41.25 38.45 1fa4 s ASN 40 CO -0.19 -0.36 0.10 -0.69 -2.79 0.00 0.00 177.10 173.17 1fa4 s VAL 41 N 1.67 5.05 0.24 -5.21 1.01 -1.26 -4.08 120.40 117.82 1fa4 s VAL 41 Ca 0.05 0.06 -0.21 0.00 0.00 0.00 0.00 61.98 61.88 1fa4 s VAL 41 Cb -0.18 -3.31 0.03 0.00 0.00 0.00 0.00 36.38 32.92 1fa4 s VAL 41 CO 0.09 0.42 0.68 0.68 0.00 0.00 0.00 175.10 176.98 1fa4 s VAL 42 N 0.57 0.00 -0.12 2.92 -7.23 -1.25 -3.66 120.40 111.63 1fa4 s VAL 42 Ca 0.05 -0.72 -0.02 0.00 -1.81 0.00 0.00 61.98 59.48 1fa4 s VAL 42 Cb -0.12 -1.72 -0.03 0.00 0.56 0.00 0.00 36.38 35.07 1fa4 s VAL 42 CO 0.01 -0.00 -0.05 -0.36 -0.31 0.00 0.00 175.10 174.39 1fa4 s PHE 43 N -3.87 3.01 0.29 2.82 0.40 -1.26 -3.22 117.98 116.14 1fa4 s PHE 43 Ca 0.08 -0.18 -0.30 0.00 -0.60 0.00 0.00 56.93 55.94 1fa4 s PHE 43 Cb -0.04 -1.87 -0.12 0.00 0.51 0.00 0.00 43.02 41.49 1fa4 s PHE 43 CO 0.01 0.11 1.47 -3.47 0.70 0.00 0.00 175.22 174.04 1fa4 n ASP 44 N 3.04 3.29 -0.96 1.36 2.03 -1.22 -4.83 116.55 119.26 1fa4 n ASP 44 Ca -0.18 1.16 0.00 0.00 0.52 0.00 0.00 54.79 56.30 1fa4 n ASP 44 Cb 0.53 -1.52 0.10 0.00 -0.72 0.00 0.00 41.12 39.51 1fa4 n ASP 44 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1fa4 n ALA 45 N 1.66 2.96 -0.87 -1.67 0.00 -1.26 -3.41 120.51 117.93 1fa4 n ALA 45 Ca 0.09 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.97 1fa4 n ALA 45 Cb 0.35 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.75 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 0.15 0.81 -1.87 0.00 0.00 -1.26 -4.82 120.51 113.52 1fa4 n ALA 46 Ca 0.09 -0.36 -0.28 0.00 0.00 0.00 0.00 53.44 52.88 1fa4 n ALA 46 Cb 0.56 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.05 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 -0.04 5.81 -4.68 0.00 4.32 -1.22 -5.01 117.00 116.17 1fa4 n LEU 47 Ca 0.00 -4.67 -0.24 0.00 -0.02 0.00 0.00 56.01 51.08 1fa4 n LEU 47 Cb 0.36 -0.56 -0.08 0.00 -1.62 0.00 0.00 43.42 41.53 1fa4 n LEU 47 CO 0.00 1.93 -0.25 0.54 -1.22 0.00 0.00 177.39 178.39 1fa4 s ASN 48 N -2.98 4.41 0.14 -1.43 2.20 -1.26 -4.60 114.94 111.41 1fa4 s ASN 48 Ca 0.55 -0.91 0.03 0.00 -0.94 0.00 0.00 52.86 51.59 1fa4 s ASN 48 Cb 0.44 -0.61 -0.10 0.00 -2.00 0.00 0.00 41.25 38.98 1fa4 s ASN 48 CO -0.02 -0.29 1.32 1.55 -2.94 0.00 0.00 177.10 176.73 1fa4 h PRO 49 N 1.67 0.13 0.00 3.55 0.13 -1.88 -3.34 132.00 132.27 1fa4 h PRO 49 Ca -0.43 -0.18 -0.02 0.00 -0.87 0.00 0.00 66.00 64.50 1fa4 h PRO 49 Cb 1.25 0.06 -0.05 0.00 0.13 0.00 0.00 31.00 32.38 1fa4 h PRO 49 CO 0.66 0.99 -0.39 0.00 -0.23 0.00 0.00 178.00 179.03 1fa4 n ALA 50 N -2.44 2.71 -2.70 -0.56 0.00 -1.26 -5.05 120.51 111.22 1fa4 n ALA 50 Ca -0.03 -2.58 0.00 0.00 0.00 0.00 0.00 53.44 50.83 1fa4 n ALA 50 Cb 0.87 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.89 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 -0.84 -0.30 -3.84 0.00 5.02 -1.26 -4.97 118.16 111.96 1fa4 n LYS 51 Ca 0.13 0.67 -0.13 0.00 -2.02 0.00 0.00 58.31 56.96 1fa4 n LYS 51 Cb 0.74 -0.79 -0.15 0.00 -0.02 0.00 0.00 35.03 34.81 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 -0.73 0.04 -0.04 4.39 0.01 -1.26 -5.05 113.70 111.06 1fa4 s SER 52 Ca 0.00 0.01 -0.24 0.00 1.31 0.00 0.00 55.95 57.03 1fa4 s SER 52 Cb 0.00 -0.03 -0.22 0.00 0.21 0.00 0.00 66.02 65.98 1fa4 s SER 52 CO 0.00 -0.04 1.09 0.00 0.41 0.00 0.00 173.24 174.70 1fa4 h ALA 53 N 6.55 0.05 -1.29 1.44 0.00 -1.94 -3.11 119.26 120.96 1fa4 h ALA 53 Ca -0.32 -0.41 0.37 0.00 0.00 0.00 0.00 54.91 54.55 1fa4 h ALA 53 Cb 1.18 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.90 1fa4 h ALA 53 CO 0.50 0.03 0.90 0.38 0.00 0.00 0.00 179.25 181.06 1fa4 h ASP 54 N -0.46 0.11 -0.82 0.00 3.04 -1.97 0.47 116.42 116.79 1fa4 h ASP 54 Ca -0.02 0.03 -0.57 0.00 -3.24 0.00 0.00 57.03 53.23 1fa4 h ASP 54 Cb 0.88 0.02 -0.11 0.00 -1.04 0.00 0.00 39.33 39.07 1fa4 h ASP 54 CO 0.04 -0.01 1.53 -0.11 -2.04 0.00 0.00 179.24 178.65 1fa4 n LEU 55 N -4.28 7.23 0.00 0.15 7.94 -1.18 -3.98 117.00 122.87 1fa4 n LEU 55 Ca 0.30 -4.31 0.00 0.00 -1.11 0.00 0.00 56.01 50.89 1fa4 n LEU 55 Cb 1.31 -1.35 0.00 0.00 0.53 0.00 0.00 43.42 43.91 1fa4 n LEU 55 CO 0.36 1.90 0.00 0.00 -1.11 0.00 0.00 177.39 178.54 1fa4 n ALA 56 N 1.77 0.00 -0.29 1.96 0.00 -0.24 -4.87 120.51 118.84 1fa4 n ALA 56 Ca 0.57 0.00 0.09 0.00 0.00 0.00 0.00 53.44 54.11 1fa4 n ALA 56 Cb 0.44 0.00 0.33 0.00 0.00 0.00 0.00 19.45 20.22 1fa4 n ALA 56 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1fa4 h LYS 57 N 0.00 0.79 0.00 0.00 3.64 -0.31 -1.69 116.57 118.99 1fa4 h LYS 57 Ca 0.00 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1fa4 h LYS 57 Cb 0.00 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.64 1fa4 h LYS 57 CO 0.00 0.52 -1.78 0.45 -2.27 0.00 0.00 179.45 176.37 1fa4 n SER 58 N -4.56 1.10 -0.00 4.20 2.88 -1.26 -4.49 113.62 111.49 1fa4 n SER 58 Ca 0.17 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.58 1fa4 n SER 58 Cb 0.39 1.77 -0.08 0.00 -0.75 0.00 0.00 64.21 65.54 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 0.07-10.81 2.46 5.85 -1.62 -3.44 115.31 107.82 1fa4 h LEU 59 Ca -0.00 -0.25 -0.45 0.00 0.84 0.00 0.00 57.88 58.01 1fa4 h LEU 59 Cb 0.79 -0.02 0.15 0.00 0.37 0.00 0.00 40.66 41.95 1fa4 h LEU 59 CO 0.00 0.30 0.35 -0.94 -0.34 0.00 0.00 178.44 177.81 1fa4 s SER 60 N -5.51 3.34 0.00 1.25 1.04 -0.68 -4.71 113.70 108.42 1fa4 s SER 60 Ca -0.14 0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.38 1fa4 s SER 60 Cb 0.04 -0.19 0.00 0.00 0.10 0.00 0.00 66.02 65.97 1fa4 s SER 60 CO 0.68 -2.57 0.00 0.00 0.98 0.00 0.00 173.24 172.33 1fa4 n HIS 61 N -3.57 0.00 0.15 5.02 1.44 -1.24 -4.95 115.22 112.07 1fa4 n HIS 61 Ca 0.16 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.87 1fa4 n HIS 61 Cb 0.60 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.71 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 0.00 0.00 -1.42 -1.40 4.76 -1.26 -4.95 118.16 113.89 1fa4 n LYS 62 Ca 0.00 0.00 -0.40 0.00 -2.87 0.00 0.00 58.31 55.04 1fa4 n LYS 62 Cb 0.00 0.00 0.02 0.00 -1.84 0.00 0.00 35.03 33.21 1fa4 n LYS 62 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1fa4 n GLN 63 N -3.29 0.43 -1.48 1.97 0.00 -1.26 -4.92 117.38 108.83 1fa4 n GLN 63 Ca 0.00 0.16 -0.30 0.00 0.00 0.00 0.00 57.00 56.87 1fa4 n GLN 63 Cb 0.00 -1.48 0.11 0.00 0.00 0.00 0.00 30.24 28.87 1fa4 n GLN 63 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1fa4 s LEU 64 N 2.01 2.45 -0.11 2.61 1.02 -1.26 -4.92 118.68 120.48 1fa4 s LEU 64 Ca 0.64 1.29 -0.27 0.00 0.02 0.00 0.00 54.13 55.81 1fa4 s LEU 64 Cb -0.52 -3.83 -0.02 0.00 0.02 0.00 0.00 46.19 41.84 1fa4 s LEU 64 CO 0.58 -2.18 0.90 -0.76 0.02 0.00 0.00 176.35 174.91 1fa4 s LEU 65 N -5.90 4.25 0.00 1.79 1.02 -1.18 -4.88 118.68 113.78 1fa4 s LEU 65 Ca 0.62 1.38 0.00 0.00 0.02 0.00 0.00 54.13 56.14 1fa4 s LEU 65 Cb -0.15 -3.38 0.00 0.00 0.02 0.00 0.00 46.19 42.68 1fa4 s LEU 65 CO 0.55 -0.35 0.00 0.80 0.02 0.00 0.00 176.35 177.36 1fa4 n MET 66 N 4.74 1.96 -3.37 1.70 1.56 -1.26 -4.08 117.12 118.36 1fa4 n MET 66 Ca 0.05 0.00 -0.37 0.00 -0.27 0.00 0.00 57.70 57.11 1fa4 n MET 66 Cb 0.49 -0.90 -0.06 0.00 2.15 0.00 0.00 33.22 34.91 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 -1.98 6.89 -0.67 6.12 0.15 -1.26 -5.01 113.70 117.94 1fa4 s SER 67 Ca 0.00 1.10 -0.27 0.00 0.70 0.00 0.00 55.95 57.48 1fa4 s SER 67 Cb 0.00 -2.30 0.02 0.00 -1.71 0.00 0.00 66.02 62.03 1fa4 s SER 67 CO 0.00 0.22 1.36 -2.16 1.20 0.00 0.00 173.24 173.86 1fa4 s PRO 68 N -1.46 3.18 0.00 5.44 0.04 -1.26 -3.58 135.00 137.36 1fa4 s PRO 68 Ca 0.31 0.04 0.00 0.00 0.04 0.00 0.00 61.00 61.39 1fa4 s PRO 68 Cb -0.17 -4.17 0.00 0.00 0.04 0.00 0.00 34.50 30.20 1fa4 s PRO 68 CO 0.18 -2.12 0.00 0.41 0.04 0.00 0.00 177.00 175.50 1fa4 n GLY 69 N 5.36 0.63 3.00 0.56 0.00 -1.05 -4.92 105.19 108.76 1fa4 n GLY 69 Ca 0.07 -0.03 0.03 0.00 0.00 0.00 0.00 46.02 46.09 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 0.47 0.33 0.00 1.61 0.74 -1.23 -4.73 119.66 116.84 1fa4 s GLN 70 Ca 0.00 0.03 0.00 0.00 0.05 0.00 0.00 55.36 55.44 1fa4 s GLN 70 Cb 0.00 0.07 0.00 0.00 1.10 0.00 0.00 33.01 34.18 1fa4 s GLN 70 CO 0.00 -0.52 0.00 -1.13 -0.55 0.00 0.00 175.29 173.09 1fa4 n SER 71 N 4.43 0.00 -3.16 6.67 3.41 -0.83 -4.59 113.62 119.56 1fa4 n SER 71 Ca 0.08 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.73 1fa4 n SER 71 Cb 0.59 -0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.53 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 -0.01 -0.95 -1.31 6.66 2.01 -1.04 -4.98 115.64 116.02 1fa4 s THR 72 Ca 0.00 0.00 -0.18 0.00 0.31 0.00 0.00 61.69 61.82 1fa4 s THR 72 Cb 0.00 -1.00 0.05 0.00 0.01 0.00 0.00 72.50 71.56 1fa4 s THR 72 CO 0.00 0.00 1.81 -0.24 -0.69 0.00 0.00 174.62 175.50 1fa4 n SER 73 N 5.43 4.67 -4.55 3.53 2.88 -1.26 -3.64 113.62 120.67 1fa4 n SER 73 Ca -0.02 -2.89 -0.30 0.00 -1.33 0.00 0.00 58.87 54.33 1fa4 n SER 73 Cb 0.51 -1.73 -0.04 0.00 -0.75 0.00 0.00 64.21 62.20 1fa4 n SER 73 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1fa4 s THR 74 N 4.56 3.09 -1.36 2.46 2.01 -1.14 -4.83 115.64 120.44 1fa4 s THR 74 Ca 0.54 0.00 -0.16 0.00 0.31 0.00 0.00 61.69 62.38 1fa4 s THR 74 Cb 0.05 -3.24 0.04 0.00 0.01 0.00 0.00 72.50 69.36 1fa4 s THR 74 CO 0.06 -0.23 2.01 1.07 -0.69 0.00 0.00 174.62 176.85 1fa4 n THR 75 N 8.06 3.52 -0.91 -0.82 5.66 -1.26 -2.76 114.28 125.78 1fa4 n THR 75 Ca 0.37 -3.35 -0.30 0.00 -3.05 0.00 0.00 64.05 57.72 1fa4 n THR 75 Cb 0.51 -2.48 -0.00 0.00 -1.55 0.00 0.00 70.33 66.81 1fa4 n THR 75 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 1fa4 n PHE 76 N 7.35 -1.34 -1.58 1.09 3.01 -0.72 -4.88 117.46 120.38 1fa4 n PHE 76 Ca 0.50 0.46 -0.29 0.00 1.01 0.00 0.00 57.45 59.13 1fa4 n PHE 76 Cb 0.42 -1.25 0.22 0.00 -0.01 0.00 0.00 39.48 38.86 1fa4 n PHE 76 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1fa4 n PRO 77 N 0.90 -1.96 -0.12 -1.08 -0.04 -1.26 -4.16 135.00 127.29 1fa4 n PRO 77 Ca 0.08 -1.91 0.03 0.00 -0.04 0.00 0.00 63.50 61.66 1fa4 n PRO 77 Cb 0.27 -1.44 0.09 0.00 -0.04 0.00 0.00 33.50 32.37 1fa4 n PRO 77 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1fa4 n ALA 78 N -4.22 2.53 -0.12 0.55 0.00 -1.26 -3.81 120.51 114.18 1fa4 n ALA 78 Ca -0.21 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 52.88 1fa4 n ALA 78 Cb 0.57 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 19.03 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 0.07 0.00 -1.83 0.00 9.92 -1.26 -4.77 116.55 118.69 1fa4 n ASP 79 Ca 0.06 0.02 0.00 0.00 -0.53 0.00 0.00 54.79 54.35 1fa4 n ASP 79 Cb 0.21 -0.44 0.00 0.00 -0.64 0.00 0.00 41.12 40.25 1fa4 n ASP 79 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1fa4 n ALA 80 N -2.35 -1.11 -1.69 2.24 0.00 -1.26 -4.34 120.51 112.00 1fa4 n ALA 80 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 1fa4 n ALA 80 Cb 0.00 -0.29 0.02 0.00 0.00 0.00 0.00 19.45 19.18 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 -0.11 3.31 0.31 0.00 0.04 -1.26 -4.16 135.00 133.13 1fa4 s PRO 81 Ca 0.00 1.00 -0.29 0.00 0.04 0.00 0.00 61.00 61.75 1fa4 s PRO 81 Cb 0.00 -2.04 -0.10 0.00 0.04 0.00 0.00 34.50 32.40 1fa4 s PRO 81 CO 0.00 -0.80 1.21 0.00 0.04 0.00 0.00 177.00 177.45 1fa4 s ALA 82 N -2.83 3.46 0.00 8.56 0.00 -1.26 -4.81 121.76 124.88 1fa4 s ALA 82 Ca 0.59 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.65 1fa4 s ALA 82 Cb -0.13 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.58 1fa4 s ALA 82 CO 0.46 -0.42 0.00 0.41 0.00 0.00 0.00 175.76 176.21 1fa4 n GLY 83 N 1.01 1.66 3.72 0.00 0.00 -1.17 -4.70 105.19 105.71 1fa4 n GLY 83 Ca -0.00 -1.22 -0.39 0.00 0.00 0.00 0.00 46.02 44.41 1fa4 n GLY 83 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1fa4 s GLU 84 N -1.98 4.40 -0.08 1.61 2.02 -1.26 -3.09 118.70 120.31 1fa4 s GLU 84 Ca 0.00 0.70 0.00 0.00 0.02 0.00 0.00 54.97 55.70 1fa4 s GLU 84 Cb 0.00 -3.44 -0.03 0.00 0.10 0.00 0.00 34.13 30.76 1fa4 s GLU 84 CO 0.00 0.10 -0.08 0.71 0.02 0.00 0.00 175.26 176.01 1fa4 s TYR 85 N 0.74 2.91 -0.10 1.61 1.51 0.08 -4.65 117.35 119.45 1fa4 s TYR 85 Ca 0.33 -0.10 -0.02 0.00 -1.01 0.00 0.00 57.07 56.27 1fa4 s TYR 85 Cb -0.17 -1.75 0.04 0.00 -0.11 0.00 0.00 41.96 39.97 1fa4 s TYR 85 CO 0.15 0.22 0.03 0.99 -1.11 0.00 0.00 175.55 175.83 1fa4 s THR 86 N -0.53 0.22 0.33 -0.71 2.01 -1.26 0.31 115.64 116.01 1fa4 s THR 86 Ca 0.08 0.03 0.08 0.00 0.31 0.00 0.00 61.69 62.19 1fa4 s THR 86 Cb -0.12 -0.54 -0.04 0.00 0.01 0.00 0.00 72.50 71.81 1fa4 s THR 86 CO 0.02 0.08 0.14 0.72 -0.69 0.00 0.00 174.62 174.89 1fa4 s PHE 87 N 2.02 2.74 0.00 4.92 -0.71 0.30 -3.40 117.98 123.85 1fa4 s PHE 87 Ca 0.03 -0.35 0.00 0.00 -1.04 0.00 0.00 56.93 55.57 1fa4 s PHE 87 Cb -0.14 -1.60 0.00 0.00 -1.21 0.00 0.00 43.02 40.07 1fa4 s PHE 87 CO -0.06 0.36 0.00 2.48 -1.34 0.00 0.00 175.22 176.66 1fa4 n TYR 88 N -1.14 0.00 -4.19 3.49 4.11 -1.20 -0.84 117.16 117.39 1fa4 n TYR 88 Ca -0.03 0.00 -0.15 0.00 -0.00 0.00 0.00 57.90 57.72 1fa4 n TYR 88 Cb 0.61 0.00 -0.11 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 3.45 0.17 0.00 0.00 4.57 -1.94 -3.25 114.58 117.58 1fa4 h GLU 90 Ca -0.37 -0.29 -0.00 0.00 -1.18 0.00 0.00 59.36 57.51 1fa4 h GLU 90 Cb 1.19 0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 29.89 1fa4 h GLU 90 CO 0.54 1.14 -0.02 -1.00 -1.18 0.00 0.00 179.01 178.49 1fa4 h PRO 91 N -0.41 0.00 -1.17 0.92 0.13 -1.96 -3.33 132.00 126.18 1fa4 h PRO 91 Ca -0.36 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.54 1fa4 h PRO 91 Cb 1.70 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.70 1fa4 h PRO 91 CO -0.02 0.45 0.30 0.72 -0.23 0.00 0.00 178.00 179.22 1fa4 n HIS 92 N -4.70 1.30 0.29 1.56 8.25 -1.26 -4.36 115.22 116.31 1fa4 n HIS 92 Ca -0.05 -1.30 0.16 0.00 -0.26 0.00 0.00 57.72 56.28 1fa4 n HIS 92 Cb 0.22 -0.65 0.89 0.00 1.12 0.00 0.00 29.99 31.57 1fa4 n HIS 92 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 1fa4 h ARG 93 N 0.71 0.00 -0.54 -0.41 0.11 -1.67 -0.12 114.38 112.46 1fa4 h ARG 93 Ca 0.26 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.34 1fa4 h ARG 93 Cb 1.53 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.61 1fa4 h ARG 93 CO 0.52 0.05 0.00 0.41 0.10 0.00 0.00 179.97 181.05 1fa4 n GLY 94 N -0.86 1.88 1.96 0.08 0.00 -1.26 -4.23 105.19 102.76 1fa4 n GLY 94 Ca -0.02 -0.72 -0.23 0.00 0.00 0.00 0.00 46.02 45.05 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 1.41 5.43 -3.16 4.61 0.00 -0.06 -4.89 120.51 123.86 1fa4 n ALA 95 Ca 0.21 -3.35 -0.23 0.00 0.00 0.00 0.00 53.44 50.07 1fa4 n ALA 95 Cb 0.57 -1.16 0.04 0.00 0.00 0.00 0.00 19.45 18.90 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 -0.98 -0.52 2.84 0.00 0.00 -1.26 -4.26 105.19 101.01 1fa4 n GLY 96 Ca 0.51 0.15 -0.42 0.00 0.00 0.00 0.00 46.02 46.26 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 -4.17 4.40 -3.59 1.61 2.00 -1.23 -4.14 117.12 112.00 1fa4 n MET 97 Ca -0.08 -4.14 -0.26 0.00 0.00 0.00 0.00 57.70 53.22 1fa4 n MET 97 Cb 0.60 -2.64 -0.16 0.00 0.00 0.00 0.00 33.22 31.02 1fa4 n MET 97 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1fa4 s VAL 98 N -1.91 -0.10 0.17 2.03 1.01 -1.26 -2.02 120.40 118.31 1fa4 s VAL 98 Ca 0.37 -0.28 0.05 0.00 0.00 0.00 0.00 61.98 62.13 1fa4 s VAL 98 Cb 0.10 -0.66 -0.04 0.00 0.00 0.00 0.00 36.38 35.78 1fa4 s VAL 98 CO 0.02 -0.37 0.11 -0.83 0.00 0.00 0.00 175.10 174.03 1fa4 s GLY 99 N 2.14 1.71 -0.03 4.51 0.00 -0.02 -4.83 107.32 110.81 1fa4 s GLY 99 Ca 0.04 -1.25 0.03 0.00 0.00 0.00 0.00 44.72 43.54 1fa4 s GLY 99 CO -0.15 -1.26 -0.11 0.54 0.00 0.00 0.00 173.10 172.13 1fa4 s LYS 100 N -3.08 1.16 -0.24 2.90 1.02 -0.71 0.11 119.74 120.90 1fa4 s LYS 100 Ca 0.30 -0.37 -0.10 0.00 0.02 0.00 0.00 55.97 55.82 1fa4 s LYS 100 Cb -0.10 -1.06 -0.04 0.00 -0.52 0.00 0.00 37.83 36.11 1fa4 s LYS 100 CO 0.23 0.14 0.14 0.42 -0.92 0.00 0.00 175.35 175.35 1fa4 s ILE 101 N 0.17 5.06 -0.43 2.17 1.01 0.15 -0.89 121.20 128.44 1fa4 s ILE 101 Ca -0.04 0.08 -0.16 0.00 0.00 0.00 0.00 60.65 60.53 1fa4 s ILE 101 Cb -0.09 -3.36 0.04 0.00 0.01 0.00 0.00 42.46 39.05 1fa4 s ILE 101 CO 0.01 0.34 0.38 -0.89 0.00 0.00 0.00 174.94 174.77 1fa4 s THR 102 N 1.24 5.19 -0.71 2.92 2.01 0.15 -0.75 115.64 125.70 1fa4 s THR 102 Ca 0.06 -0.69 -0.15 0.00 0.31 0.00 0.00 61.69 61.23 1fa4 s THR 102 Cb -0.14 -4.03 0.17 0.00 0.01 0.00 0.00 72.50 68.51 1fa4 s THR 102 CO 0.05 -0.44 0.68 -0.69 -0.69 0.00 0.00 174.62 173.54 1fa4 s VAL 103 N 1.83 5.37 0.00 3.82 1.01 -1.18 0.76 120.40 132.01 1fa4 s VAL 103 Ca 0.07 -1.96 0.00 0.00 0.00 0.00 0.00 61.98 60.09 1fa4 s VAL 103 Cb -0.20 -4.44 0.00 0.00 0.00 0.00 0.00 36.38 31.74 1fa4 s VAL 103 CO 0.10 -1.00 0.00 0.00 0.00 0.00 0.00 175.10 174.20 1fa4 n ALA 104 N 4.74 0.00 0.00 5.51 0.00 -1.12 -3.02 120.51 126.62 1fa4 n ALA 104 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1fa4 n ALA 104 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 1fa4 n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91