#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 0.32 2.62 2.01 -1.26 -3.04 115.64 117.61 1fa4 s THR 2 Ca 0.00 -0.99 -0.07 0.00 0.31 0.00 0.00 61.69 60.94 1fa4 s THR 2 Cb 0.00 -1.58 -0.06 0.00 0.01 0.00 0.00 72.50 70.87 1fa4 s THR 2 CO 0.00 -0.04 0.62 -0.31 -0.69 0.00 0.00 174.62 174.20 1fa4 s TYR 3 N 1.51 3.47 -0.28 4.92 1.51 -1.18 -4.89 117.35 122.40 1fa4 s TYR 3 Ca -0.03 0.79 0.03 0.00 -1.01 0.00 0.00 57.07 56.85 1fa4 s TYR 3 Cb -0.18 -2.22 0.07 0.00 -0.11 0.00 0.00 41.96 39.52 1fa4 s TYR 3 CO -0.07 0.09 -0.08 0.95 -1.11 0.00 0.00 175.55 175.34 1fa4 s THR 4 N -2.15 2.20 -0.22 -0.71 -4.23 -1.26 -0.79 115.64 108.48 1fa4 s THR 4 Ca 0.47 -1.79 -0.07 0.00 -1.18 0.00 0.00 61.69 59.12 1fa4 s THR 4 Cb -0.11 -2.37 -0.03 0.00 1.34 0.00 0.00 72.50 71.34 1fa4 s THR 4 CO 0.29 -0.15 0.06 -0.69 -0.54 0.00 0.00 174.62 173.59 1fa4 s VAL 5 N 1.06 4.37 -0.55 2.29 1.01 0.15 -4.80 120.40 123.93 1fa4 s VAL 5 Ca -0.05 -0.16 0.02 0.00 0.00 0.00 0.00 61.98 61.79 1fa4 s VAL 5 Cb -0.20 -3.01 0.14 0.00 0.00 0.00 0.00 36.38 33.31 1fa4 s VAL 5 CO -0.06 0.38 0.31 -0.54 0.00 0.00 0.00 175.10 175.20 1fa4 s LYS 6 N 1.21 2.15 1.02 2.72 1.02 -1.26 -1.07 119.74 125.52 1fa4 s LYS 6 Ca 0.04 -2.59 -0.16 0.00 0.02 0.00 0.00 55.97 53.28 1fa4 s LYS 6 Cb -0.14 -3.44 0.03 0.00 -0.52 0.00 0.00 37.83 33.76 1fa4 s LYS 6 CO 0.03 -1.13 0.03 1.47 -0.92 0.00 0.00 175.35 174.84 1fa4 n LEU 7 N 3.23 -1.69 -1.63 3.17 -0.00 -1.24 -4.47 117.00 114.37 1fa4 n LEU 7 Ca 0.06 0.12 -0.00 0.00 -0.00 0.00 0.00 56.01 56.18 1fa4 n LEU 7 Cb 0.34 -1.03 0.00 0.00 -0.00 0.00 0.00 43.42 42.73 1fa4 n LEU 7 CO 0.34 -3.56 0.01 0.61 -0.00 0.00 0.00 177.39 174.79 1fa4 n GLY 8 N 1.99 -0.62 0.45 1.47 0.00 -1.10 -3.64 105.19 103.73 1fa4 n GLY 8 Ca 0.03 -0.04 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 1fa4 n GLY 8 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1fa4 h SER 9 N 0.13 -1.69 0.00 1.61 4.64 -1.72 -3.40 113.55 113.12 1fa4 h SER 9 Ca 0.00 0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1fa4 h SER 9 Cb 0.42 0.67 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1fa4 h SER 9 CO 0.02 -0.45 0.00 -0.67 -0.87 0.00 0.00 176.83 174.86 1fa4 n ASP 10 N -5.30 0.00 -0.21 4.97 -0.08 -1.26 -4.94 116.55 109.72 1fa4 n ASP 10 Ca -0.05 0.00 0.05 0.00 -1.51 0.00 0.00 54.79 53.28 1fa4 n ASP 10 Cb 0.36 0.00 0.08 0.00 2.34 0.00 0.00 41.12 43.89 1fa4 n ASP 10 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 1fa4 n LYS 11 N 0.00 0.89 0.00 -0.67 2.85 -1.26 -4.94 118.16 115.03 1fa4 n LYS 11 Ca 0.00 -1.87 0.00 0.00 -1.05 0.00 0.00 58.31 55.39 1fa4 n LYS 11 Cb 0.00 -1.08 0.00 0.00 -0.65 0.00 0.00 35.03 33.30 1fa4 n LYS 11 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1fa4 n GLY 12 N -0.82 0.07 0.00 2.58 0.00 -1.26 -5.15 105.19 100.62 1fa4 n GLY 12 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -3.07 0.99 4.32 -1.26 -5.03 117.00 112.94 1fa4 n LEU 13 Ca 0.00 0.00 -0.40 0.00 -0.02 0.00 0.00 56.01 55.59 1fa4 n LEU 13 Cb 0.00 0.00 0.03 0.00 -1.62 0.00 0.00 43.42 41.83 1fa4 n LEU 13 CO 0.00 0.00 1.48 0.18 -1.22 0.00 0.00 177.39 177.83 1fa4 n LEU 14 N 0.00 7.41 -4.89 2.23 4.77 -0.94 -2.98 117.00 122.60 1fa4 n LEU 14 Ca 0.00 -4.98 -0.32 0.00 -0.03 0.00 0.00 56.01 50.68 1fa4 n LEU 14 Cb 0.00 -1.07 -0.05 0.00 -2.33 0.00 0.00 43.42 39.97 1fa4 n LEU 14 CO 0.00 1.84 0.06 0.68 -1.33 0.00 0.00 177.39 178.64 1fa4 s VAL 15 N -4.92 5.13 1.30 4.08 -7.23 -1.25 -3.35 120.40 114.16 1fa4 s VAL 15 Ca 0.49 0.10 -0.20 0.00 -1.81 0.00 0.00 61.98 60.56 1fa4 s VAL 15 Cb 0.38 -3.62 0.32 0.00 0.56 0.00 0.00 36.38 34.02 1fa4 s VAL 15 CO -0.35 0.03 1.02 -0.36 -0.31 0.00 0.00 175.10 175.13 1fa4 s PHE 16 N -1.68 0.06 -0.30 2.82 0.08 -1.26 -2.72 117.98 114.99 1fa4 s PHE 16 Ca 0.42 0.60 0.00 0.00 0.12 0.00 0.00 56.93 58.07 1fa4 s PHE 16 Cb -0.12 -3.16 0.19 0.00 -0.57 0.00 0.00 43.02 39.36 1fa4 s PHE 16 CO 0.24 -4.39 0.60 -1.21 -0.10 0.00 0.00 175.22 170.36 1fa4 s GLU 17 N -5.16 0.56 0.91 0.44 2.02 -1.26 -4.01 118.70 112.20 1fa4 s GLU 17 Ca 0.69 0.91 -0.12 0.00 0.02 0.00 0.00 54.97 56.47 1fa4 s GLU 17 Cb -0.13 0.49 0.14 0.00 0.10 0.00 0.00 34.13 34.73 1fa4 s GLU 17 CO 0.58 -0.70 1.14 -1.25 0.02 0.00 0.00 175.26 175.05 1fa4 s PRO 18 N 2.86 1.14 -0.01 0.39 0.04 -1.26 -4.12 135.00 134.03 1fa4 s PRO 18 Ca 0.19 0.28 -0.13 0.00 0.04 0.00 0.00 61.00 61.37 1fa4 s PRO 18 Cb -0.14 -1.84 -0.07 0.00 0.04 0.00 0.00 34.50 32.49 1fa4 s PRO 18 CO -0.22 -2.19 0.72 0.00 0.04 0.00 0.00 177.00 175.34 1fa4 h ALA 19 N -1.50 -0.65 -2.30 8.56 0.00 -1.96 -3.45 119.26 117.97 1fa4 h ALA 19 Ca -0.50 -0.10 -0.50 0.00 0.00 0.00 0.00 54.91 53.81 1fa4 h ALA 19 Cb 1.33 0.18 0.04 0.00 0.00 0.00 0.00 17.79 19.35 1fa4 h ALA 19 CO 0.62 -0.61 0.40 -1.59 0.00 0.00 0.00 179.25 178.07 1fa4 s LYS 20 N -3.25 3.72 -0.18 0.00 -2.85 -1.26 -3.54 119.74 112.37 1fa4 s LYS 20 Ca -0.07 0.82 -0.06 0.00 -1.00 0.00 0.00 55.97 55.66 1fa4 s LYS 20 Cb 0.01 -2.10 0.09 0.00 -2.06 0.00 0.00 37.83 33.76 1fa4 s LYS 20 CO 0.21 -0.47 0.37 -0.51 0.10 0.00 0.00 175.35 175.05 1fa4 s LEU 21 N -4.80 -0.54 -0.87 2.77 1.02 -1.01 -4.97 118.68 110.28 1fa4 s LEU 21 Ca 0.56 0.78 -0.19 0.00 0.02 0.00 0.00 54.13 55.30 1fa4 s LEU 21 Cb -0.11 1.13 0.12 0.00 0.02 0.00 0.00 46.19 47.35 1fa4 s LEU 21 CO 0.46 -0.24 1.08 -0.89 0.02 0.00 0.00 176.35 176.78 1fa4 s THR 22 N 2.55 4.67 0.53 5.49 2.01 -1.26 0.20 115.64 129.83 1fa4 s THR 22 Ca 0.01 -1.35 0.09 0.00 0.31 0.00 0.00 61.69 60.74 1fa4 s THR 22 Cb -0.12 -4.75 0.06 0.00 0.01 0.00 0.00 72.50 67.70 1fa4 s THR 22 CO -0.12 -1.48 0.73 0.27 -0.69 0.00 0.00 174.62 173.33 1fa4 s ILE 23 N 2.91 2.41 0.81 1.82 -4.36 -0.46 -4.92 121.20 119.42 1fa4 s ILE 23 Ca 0.30 -0.98 -0.05 0.00 -0.26 0.00 0.00 60.65 59.66 1fa4 s ILE 23 Cb -0.08 -2.43 0.16 0.00 1.25 0.00 0.00 42.46 41.37 1fa4 s ILE 23 CO -0.06 0.00 1.11 -0.75 0.24 0.00 0.00 174.94 175.49 1fa4 s LYS 24 N -4.59 1.24 -1.30 0.37 2.47 -1.26 -4.05 119.74 112.62 1fa4 s LYS 24 Ca 0.60 -1.00 -0.18 0.00 -1.56 0.00 0.00 55.97 53.83 1fa4 s LYS 24 Cb -0.07 -2.18 0.04 0.00 -1.46 0.00 0.00 37.83 34.15 1fa4 s LYS 24 CO 0.37 -1.83 1.88 -0.35 0.16 0.00 0.00 175.35 175.59 1fa4 n PRO 25 N -3.16 2.89 0.00 4.03 -0.04 -1.26 -3.33 135.00 134.13 1fa4 n PRO 25 Ca 0.16 -2.98 0.00 0.00 -0.04 0.00 0.00 63.50 60.64 1fa4 n PRO 25 Cb 0.60 -3.45 0.00 0.00 -0.04 0.00 0.00 33.50 30.61 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 5.10 1.95 2.65 0.55 0.00 -1.22 -4.42 105.19 109.80 1fa4 n GLY 26 Ca 0.49 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.33 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 0.35 -4.39 1.61 9.92 -1.21 -4.66 116.55 118.18 1fa4 n ASP 27 Ca 0.00 -1.48 -0.33 0.00 -0.53 0.00 0.00 54.79 52.45 1fa4 n ASP 27 Cb 0.00 -0.61 -0.14 0.00 -0.64 0.00 0.00 41.12 39.73 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 -2.68 3.23 -0.17 -3.53 2.01 -1.17 -2.51 115.64 110.83 1fa4 s THR 28 Ca 0.50 -0.59 -0.01 0.00 0.31 0.00 0.00 61.69 61.90 1fa4 s THR 28 Cb -0.02 -2.38 -0.00 0.00 0.01 0.00 0.00 72.50 70.11 1fa4 s THR 28 CO 0.34 0.51 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.96 1fa4 s VAL 29 N 0.46 2.79 -0.23 3.82 1.01 -1.22 -3.12 120.40 123.90 1fa4 s VAL 29 Ca -0.08 -0.72 -0.11 0.00 0.00 0.00 0.00 61.98 61.07 1fa4 s VAL 29 Cb -0.15 -2.20 -0.05 0.00 0.00 0.00 0.00 36.38 33.98 1fa4 s VAL 29 CO 0.04 0.50 0.19 -0.70 0.00 0.00 0.00 175.10 175.14 1fa4 s GLU 30 N 0.94 4.10 0.18 2.72 2.12 0.03 -2.98 118.70 125.81 1fa4 s GLU 30 Ca -0.03 -0.20 0.10 0.00 0.36 0.00 0.00 54.97 55.21 1fa4 s GLU 30 Cb -0.15 -3.53 -0.04 0.00 0.26 0.00 0.00 34.13 30.67 1fa4 s GLU 30 CO -0.01 0.07 -0.15 -0.06 -0.54 0.00 0.00 175.26 174.56 1fa4 s PHE 31 N 1.04 2.52 0.06 5.30 0.08 -0.92 -0.67 117.98 125.38 1fa4 s PHE 31 Ca 0.09 -0.27 0.01 0.00 0.12 0.00 0.00 56.93 56.89 1fa4 s PHE 31 Cb -0.13 -1.25 -0.00 0.00 -0.57 0.00 0.00 43.02 41.06 1fa4 s PHE 31 CO 0.04 0.49 0.05 1.28 -0.10 0.00 0.00 175.22 176.99 1fa4 n LEU 32 N 0.20 0.00 -4.52 -0.37 4.77 -0.24 -0.23 117.00 116.62 1fa4 n LEU 32 Ca -0.12 -0.52 -0.24 0.00 -0.03 0.00 0.00 56.01 55.10 1fa4 n LEU 32 Cb 0.55 0.30 -0.11 0.00 -2.33 0.00 0.00 43.42 41.84 1fa4 n LEU 32 CO 0.33 -0.09 -0.33 0.54 -1.33 0.00 0.00 177.39 176.51 1fa4 s ASN 33 N -1.38 3.25 0.39 -1.43 4.22 -1.26 -3.73 114.94 114.98 1fa4 s ASN 33 Ca 0.06 -1.28 0.00 0.00 -2.14 0.00 0.00 52.86 49.50 1fa4 s ASN 33 Cb 0.00 -0.26 0.00 0.00 1.28 0.00 0.00 41.25 42.27 1fa4 s ASN 33 CO 0.05 -0.40 0.00 -3.20 -2.04 0.00 0.00 177.10 171.51 1fa4 n ASN 34 N -0.77 -3.19 -3.42 3.54 5.15 -1.24 -2.69 115.26 112.64 1fa4 n ASN 34 Ca -0.05 0.73 0.00 0.00 -0.60 0.00 0.00 54.58 54.67 1fa4 n ASN 34 Cb 0.65 3.05 0.00 0.00 -0.53 0.00 0.00 39.78 42.95 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 -3.32 2.45 -2.10 1.20 4.81 -1.26 -4.85 118.16 115.10 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 0.00 3.68 0.98 3.15 1.01 -1.26 -4.99 120.40 122.97 1fa4 s VAL 36 Ca 0.00 0.77 -0.16 0.00 0.00 0.00 0.00 61.98 62.59 1fa4 s VAL 36 Cb 0.00 -3.68 0.21 0.00 0.00 0.00 0.00 36.38 32.91 1fa4 s VAL 36 CO 0.00 -0.27 1.33 -2.16 0.00 0.00 0.00 175.10 174.00 1fa4 s PRO 37 N 4.64 0.48 0.53 2.72 0.04 -1.26 -4.80 135.00 137.35 1fa4 s PRO 37 Ca 0.72 -0.43 -0.04 0.00 0.04 0.00 0.00 61.00 61.29 1fa4 s PRO 37 Cb -0.26 -1.83 -0.00 0.00 0.04 0.00 0.00 34.50 32.45 1fa4 s PRO 37 CO 0.29 -2.52 0.81 -1.25 0.04 0.00 0.00 177.00 174.37 1fa4 s PRO 38 N -5.90 3.10 -0.12 0.56 0.04 -1.26 -5.11 135.00 126.31 1fa4 s PRO 38 Ca 0.75 -0.10 0.01 0.00 0.04 0.00 0.00 61.00 61.70 1fa4 s PRO 38 Cb -0.04 -2.38 0.02 0.00 0.04 0.00 0.00 34.50 32.15 1fa4 s PRO 38 CO 0.53 -0.47 -0.13 -1.01 0.04 0.00 0.00 177.00 175.96 1fa4 s HIS 39 N -2.81 1.92 -0.06 0.56 3.76 -1.26 -4.76 115.29 112.63 1fa4 s HIS 39 Ca 0.51 -0.98 -0.06 0.00 -0.15 0.00 0.00 55.06 54.38 1fa4 s HIS 39 Cb -0.10 -1.43 -0.04 0.00 1.11 0.00 0.00 32.58 32.12 1fa4 s HIS 39 CO 0.43 -0.55 0.18 1.21 -0.85 0.00 0.00 174.74 175.16 1fa4 s ASN 40 N 1.30 6.41 -0.25 1.40 2.47 -1.26 -3.67 114.94 121.34 1fa4 s ASN 40 Ca -0.00 0.46 -0.05 0.00 0.42 0.00 0.00 52.86 53.69 1fa4 s ASN 40 Cb -0.14 -2.06 -0.00 0.00 -1.45 0.00 0.00 41.25 37.60 1fa4 s ASN 40 CO -0.06 0.34 0.00 -0.69 -3.72 0.00 0.00 177.10 172.97 1fa4 s VAL 41 N -1.16 3.61 -0.19 -5.21 1.01 -1.26 -4.15 120.40 113.05 1fa4 s VAL 41 Ca 0.21 -0.56 -0.16 0.00 0.00 0.00 0.00 61.98 61.47 1fa4 s VAL 41 Cb -0.13 -2.73 0.05 0.00 0.00 0.00 0.00 36.38 33.58 1fa4 s VAL 41 CO 0.11 0.30 0.50 -0.69 0.00 0.00 0.00 175.10 175.31 1fa4 s VAL 42 N 1.49 -0.00 -0.14 2.92 1.01 -1.24 -3.21 120.40 121.23 1fa4 s VAL 42 Ca 0.04 0.01 -0.23 0.00 0.00 0.00 0.00 61.98 61.81 1fa4 s VAL 42 Cb -0.15 -0.70 -0.03 0.00 0.00 0.00 0.00 36.38 35.50 1fa4 s VAL 42 CO -0.01 0.00 0.69 -0.36 0.00 0.00 0.00 175.10 175.43 1fa4 s PHE 43 N 0.42 3.47 0.26 5.22 0.08 -1.26 -2.07 117.98 124.09 1fa4 s PHE 43 Ca -0.01 1.11 -0.30 0.00 0.12 0.00 0.00 56.93 57.85 1fa4 s PHE 43 Cb -0.04 -2.83 -0.14 0.00 -0.57 0.00 0.00 43.02 39.44 1fa4 s PHE 43 CO -0.01 -0.07 1.18 -3.47 -0.10 0.00 0.00 175.22 172.74 1fa4 n ASP 44 N 4.55 1.88 -0.52 1.36 2.03 -1.08 -4.81 116.55 119.97 1fa4 n ASP 44 Ca -0.00 1.17 0.02 0.00 0.52 0.00 0.00 54.79 56.49 1fa4 n ASP 44 Cb 0.50 -1.34 0.07 0.00 -0.72 0.00 0.00 41.12 39.64 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 0.91 2.62 -0.65 -1.67 0.00 -1.26 -3.28 120.51 117.19 1fa4 n ALA 45 Ca 0.10 -0.32 0.01 0.00 0.00 0.00 0.00 53.44 53.24 1fa4 n ALA 45 Cb 0.31 -1.01 0.01 0.00 0.00 0.00 0.00 19.45 18.77 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 0.03 1.66 -2.56 0.00 0.00 -1.26 -4.68 120.51 113.70 1fa4 n ALA 46 Ca 0.05 -0.98 -0.21 0.00 0.00 0.00 0.00 53.44 52.30 1fa4 n ALA 46 Cb 0.28 -0.08 0.01 0.00 0.00 0.00 0.00 19.45 19.66 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 3.61 -4.47 0.00 4.77 -1.21 -5.05 117.00 114.28 1fa4 n LEU 47 Ca 0.02 -4.75 -0.24 0.00 -0.03 0.00 0.00 56.01 51.01 1fa4 n LEU 47 Cb 0.42 -0.16 -0.10 0.00 -2.33 0.00 0.00 43.42 41.25 1fa4 n LEU 47 CO 0.00 2.03 -0.48 0.54 -1.33 0.00 0.00 177.39 178.15 1fa4 s ASN 48 N -3.39 3.62 0.00 -1.43 2.20 -1.26 -4.36 114.94 110.32 1fa4 s ASN 48 Ca 0.41 -1.00 0.28 0.00 -0.94 0.00 0.00 52.86 51.62 1fa4 s ASN 48 Cb 0.42 -0.32 1.57 0.00 -2.00 0.00 0.00 41.25 40.92 1fa4 s ASN 48 CO -0.11 0.05 2.00 -0.81 -2.94 0.00 0.00 177.10 175.28 1fa4 n PRO 49 N -0.54 0.69 -0.67 3.55 -0.04 -1.26 -3.15 135.00 133.58 1fa4 n PRO 49 Ca -0.06 0.01 0.06 0.00 -0.04 0.00 0.00 63.50 63.47 1fa4 n PRO 49 Cb 0.60 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.73 1fa4 n PRO 49 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1fa4 n ALA 50 N -1.11 3.31 -2.84 0.55 0.00 -1.26 -4.97 120.51 114.19 1fa4 n ALA 50 Ca 0.18 -3.06 -0.18 0.00 0.00 0.00 0.00 53.44 50.38 1fa4 n ALA 50 Cb 0.14 -0.41 -0.03 0.00 0.00 0.00 0.00 19.45 19.15 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 -0.91 -0.89 -2.36 0.00 -0.00 -1.19 -4.79 118.16 108.03 1fa4 n LYS 51 Ca 0.17 0.06 -0.03 0.00 -0.00 0.00 0.00 58.31 58.50 1fa4 n LYS 51 Cb 0.75 -1.96 -0.01 0.00 -0.00 0.00 0.00 35.03 33.81 1fa4 n LYS 51 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1fa4 n SER 52 N -0.62 0.37 -0.48 -5.58 7.64 -1.26 -5.07 113.62 108.61 1fa4 n SER 52 Ca 0.03 -1.34 0.00 0.00 1.01 0.00 0.00 58.87 58.57 1fa4 n SER 52 Cb 0.20 0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.62 1fa4 n SER 52 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1fa4 n ALA 53 N -2.66 1.96 0.13 -0.43 0.00 -1.26 -4.74 120.51 113.50 1fa4 n ALA 53 Ca -0.02 -0.67 -0.01 0.00 0.00 0.00 0.00 53.44 52.75 1fa4 n ALA 53 Cb 0.10 -0.33 0.26 0.00 0.00 0.00 0.00 19.45 19.48 1fa4 n ALA 53 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1fa4 h ASP 54 N 0.00 0.13 -0.63 0.00 3.32 -1.97 -2.61 116.42 114.67 1fa4 h ASP 54 Ca 0.00 -0.06 -0.13 0.00 0.02 0.00 0.00 57.03 56.86 1fa4 h ASP 54 Cb 1.26 -0.04 -0.08 0.00 0.22 0.00 0.00 39.33 40.70 1fa4 h ASP 54 CO 0.00 0.55 0.15 0.00 -1.72 0.00 0.00 179.24 178.22 1fa4 n LEU 55 N -4.02 5.70 0.01 1.55 -0.00 -1.26 -4.33 117.00 114.65 1fa4 n LEU 55 Ca -0.02 -3.14 -0.03 0.00 -0.00 0.00 0.00 56.01 52.82 1fa4 n LEU 55 Cb 0.47 -0.70 -0.01 0.00 -0.00 0.00 0.00 43.42 43.18 1fa4 n LEU 55 CO 0.41 0.76 -0.36 0.00 -0.00 0.00 0.00 177.39 178.20 1fa4 n ALA 56 N -0.01 2.74 0.14 1.47 0.00 -1.00 -4.24 120.51 119.61 1fa4 n ALA 56 Ca 0.35 -0.13 0.16 0.00 0.00 0.00 0.00 53.44 53.82 1fa4 n ALA 56 Cb 1.27 0.34 0.72 0.00 0.00 0.00 0.00 19.45 21.78 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 -0.13 0.00 -0.56 0.00 1.79 -1.74 0.17 116.57 116.10 1fa4 h LYS 57 Ca -0.05 0.00 -0.29 0.00 -2.18 0.00 0.00 60.65 58.13 1fa4 h LYS 57 Cb 0.61 0.00 -0.17 0.00 -1.58 0.00 0.00 32.23 31.08 1fa4 h LYS 57 CO -0.03 0.00 0.14 -1.13 -1.08 0.00 0.00 179.45 177.35 1fa4 n SER 58 N -4.24 2.91 0.02 0.86 3.41 -1.26 -4.65 113.62 110.67 1fa4 n SER 58 Ca 0.03 -3.75 -0.01 0.00 -0.26 0.00 0.00 58.87 54.88 1fa4 n SER 58 Cb 0.36 -0.70 -0.00 0.00 -0.26 0.00 0.00 64.21 63.61 1fa4 n SER 58 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1fa4 n LEU 59 N -1.13 1.01 0.00 1.04 7.94 0.04 -4.97 117.00 120.93 1fa4 n LEU 59 Ca 0.42 0.14 -0.04 0.00 -1.11 0.00 0.00 56.01 55.42 1fa4 n LEU 59 Cb 1.23 -0.35 0.03 0.00 0.53 0.00 0.00 43.42 44.85 1fa4 n LEU 59 CO 0.32 -0.62 0.13 -1.20 -1.11 0.00 0.00 177.39 174.91 1fa4 n SER 60 N -3.44 0.02 -4.57 1.96 7.64 -1.21 -4.74 113.62 109.28 1fa4 n SER 60 Ca -0.02 -1.07 -0.25 0.00 1.01 0.00 0.00 58.87 58.54 1fa4 n SER 60 Cb 0.08 -0.15 -0.09 0.00 -1.01 0.00 0.00 64.21 63.05 1fa4 n SER 60 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 1fa4 s HIS 61 N -1.42 2.58 -0.47 1.43 -3.43 -1.20 -5.02 115.29 107.77 1fa4 s HIS 61 Ca 0.11 -0.25 0.18 0.00 -0.80 0.00 0.00 55.06 54.30 1fa4 s HIS 61 Cb -0.00 -1.20 -0.23 0.00 -1.43 0.00 0.00 32.58 29.72 1fa4 s HIS 61 CO 0.08 0.59 0.59 1.17 -2.00 0.00 0.00 174.74 175.16 1fa4 n LYS 62 N -0.40 0.94 -2.56 -0.38 4.81 -1.26 -4.58 118.16 114.73 1fa4 n LYS 62 Ca -0.08 -0.07 -0.42 0.00 -0.87 0.00 0.00 58.31 56.86 1fa4 n LYS 62 Cb 0.57 -1.37 -0.03 0.00 0.02 0.00 0.00 35.03 34.23 1fa4 n LYS 62 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1fa4 s GLN 63 N -2.91 4.50 1.48 1.64 -1.52 -1.26 -5.02 119.66 116.57 1fa4 s GLN 63 Ca 0.01 1.61 -0.25 0.00 -1.95 0.00 0.00 55.36 54.78 1fa4 s GLN 63 Cb 0.12 -3.39 0.38 0.00 -0.22 0.00 0.00 33.01 29.90 1fa4 s GLN 63 CO 0.73 -0.14 0.90 -0.51 -0.25 0.00 0.00 175.29 176.02 1fa4 s LEU 64 N 0.95 -1.52 -0.14 2.90 1.02 -1.26 -4.85 118.68 115.77 1fa4 s LEU 64 Ca 0.55 0.78 -0.10 0.00 0.02 0.00 0.00 54.13 55.38 1fa4 s LEU 64 Cb -0.26 -2.12 -0.05 0.00 0.02 0.00 0.00 46.19 43.79 1fa4 s LEU 64 CO 0.29 -5.64 0.19 -0.76 0.02 0.00 0.00 176.35 170.46 1fa4 s LEU 65 N -8.02 4.32 0.00 1.79 1.02 -1.24 -4.95 118.68 111.60 1fa4 s LEU 65 Ca 0.68 0.46 0.00 0.00 0.02 0.00 0.00 54.13 55.29 1fa4 s LEU 65 Cb -0.12 -2.19 0.00 0.00 0.02 0.00 0.00 46.19 43.91 1fa4 s LEU 65 CO 0.57 0.28 0.40 0.23 0.02 0.00 0.00 176.35 177.84 1fa4 n MET 66 N 2.71 -0.24 -4.54 1.70 2.81 -1.26 -4.53 117.12 113.77 1fa4 n MET 66 Ca -0.17 -0.45 -0.33 0.00 -1.81 0.00 0.00 57.70 54.94 1fa4 n MET 66 Cb 0.53 -0.82 -0.13 0.00 -0.71 0.00 0.00 33.22 32.09 1fa4 n MET 66 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1fa4 s SER 67 N -0.10 4.42 -1.09 7.83 0.15 -1.26 -5.04 113.70 118.61 1fa4 s SER 67 Ca 0.00 -0.23 -0.22 0.00 0.70 0.00 0.00 55.95 56.20 1fa4 s SER 67 Cb 0.00 -1.70 0.04 0.00 -1.71 0.00 0.00 66.02 62.64 1fa4 s SER 67 CO 0.00 0.16 1.60 -2.16 1.20 0.00 0.00 173.24 174.04 1fa4 s PRO 68 N 0.42 3.53 0.00 5.44 0.04 -1.26 -3.35 135.00 139.82 1fa4 s PRO 68 Ca -0.07 -1.26 0.00 0.00 0.04 0.00 0.00 61.00 59.71 1fa4 s PRO 68 Cb -0.15 -5.37 0.00 0.00 0.04 0.00 0.00 34.50 29.02 1fa4 s PRO 68 CO 0.04 -2.43 0.00 0.41 0.04 0.00 0.00 177.00 175.06 1fa4 n GLY 69 N 6.46 1.50 0.00 0.56 0.00 -1.09 -4.93 105.19 107.68 1fa4 n GLY 69 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.40 1fa4 n GLY 69 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1fa4 n GLN 70 N -0.13 0.00 0.00 1.61 7.27 -1.21 -4.71 117.38 120.20 1fa4 n GLN 70 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1fa4 n GLN 70 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 1fa4 n GLN 70 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 1fa4 n SER 71 N 0.00 0.00 -3.47 1.69 3.41 0.68 -4.25 113.62 111.69 1fa4 n SER 71 Ca 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.47 1fa4 n SER 71 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 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 0.00 0.00 -1.01 6.66 2.01 -1.06 -5.00 115.64 117.24 1fa4 s THR 72 Ca 0.00 0.00 -0.02 0.00 0.31 0.00 0.00 61.69 61.98 1fa4 s THR 72 Cb 0.00 -1.00 0.31 0.00 0.01 0.00 0.00 72.50 71.82 1fa4 s THR 72 CO 0.00 0.00 1.48 -1.20 -0.69 0.00 0.00 174.62 174.21 1fa4 n SER 73 N 0.10 6.33 -4.52 3.53 7.64 -1.26 -2.17 113.62 123.28 1fa4 n SER 73 Ca -0.17 -3.50 -0.38 0.00 1.01 0.00 0.00 58.87 55.84 1fa4 n SER 73 Cb 0.62 -1.16 -0.12 0.00 -1.01 0.00 0.00 64.21 62.54 1fa4 n SER 73 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1fa4 n THR 74 N 0.88 -0.03 -2.50 0.44 -1.04 -1.16 -4.68 114.28 106.20 1fa4 n THR 74 Ca 0.31 -0.27 -0.40 0.00 -2.04 0.00 0.00 64.05 61.65 1fa4 n THR 74 Cb 0.32 -1.18 -0.03 0.00 -1.82 0.00 0.00 70.33 67.62 1fa4 n THR 74 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1fa4 s THR 75 N 9.65 3.76 1.00 12.58 2.01 -1.26 -3.41 115.64 139.96 1fa4 s THR 75 Ca 1.24 -0.07 -0.16 0.00 0.31 0.00 0.00 61.69 63.01 1fa4 s THR 75 Cb -0.90 -4.87 -0.02 0.00 0.01 0.00 0.00 72.50 66.72 1fa4 s THR 75 CO 0.42 -1.79 -0.17 0.49 -0.69 0.00 0.00 174.62 172.88 1fa4 n PHE 76 N 9.62 -2.49 -1.65 4.92 3.01 -1.04 -4.95 117.46 124.88 1fa4 n PHE 76 Ca 0.17 0.18 -0.29 0.00 1.01 0.00 0.00 57.45 58.52 1fa4 n PHE 76 Cb 0.50 -1.61 0.16 0.00 -0.01 0.00 0.00 39.48 38.51 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 -3.01 0.82 0.00 -1.08 0.04 -1.26 -4.65 135.00 125.85 1fa4 s PRO 77 Ca 0.50 0.01 0.05 0.00 0.04 0.00 0.00 61.00 61.60 1fa4 s PRO 77 Cb -0.16 -1.83 0.30 0.00 0.04 0.00 0.00 34.50 32.85 1fa4 s PRO 77 CO 0.71 -2.36 1.20 0.00 0.04 0.00 0.00 177.00 176.59 1fa4 n ALA 78 N -3.82 2.52 -0.10 8.56 0.00 -1.26 -3.40 120.51 123.00 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 0.60 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.97 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 -0.49 0.00 -3.18 0.00 8.00 -1.26 -4.80 116.55 114.82 1fa4 n ASP 79 Ca 0.04 0.02 -0.06 0.00 0.71 0.00 0.00 54.79 55.50 1fa4 n ASP 79 Cb 0.04 -0.45 0.01 0.00 -0.02 0.00 0.00 41.12 40.70 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 -2.38 -2.24 -2.48 2.24 0.00 -1.26 -4.62 120.51 109.77 1fa4 n ALA 80 Ca 0.00 0.13 -0.42 0.00 0.00 0.00 0.00 53.44 53.15 1fa4 n ALA 80 Cb 0.00 -0.90 -0.03 0.00 0.00 0.00 0.00 19.45 18.53 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 -1.33 4.41 0.17 0.00 0.04 -1.26 -4.70 135.00 132.33 1fa4 s PRO 81 Ca 0.06 1.67 -0.31 0.00 0.04 0.00 0.00 61.00 62.46 1fa4 s PRO 81 Cb -0.01 -3.46 -0.17 0.00 0.04 0.00 0.00 34.50 30.90 1fa4 s PRO 81 CO 0.24 -0.32 0.82 0.00 0.04 0.00 0.00 177.00 177.79 1fa4 n ALA 82 N 4.51 -2.25 0.00 8.56 0.00 -1.26 -4.84 120.51 125.23 1fa4 n ALA 82 Ca 0.09 0.47 0.00 0.00 0.00 0.00 0.00 53.44 54.00 1fa4 n ALA 82 Cb 0.47 -1.78 0.00 0.00 0.00 0.00 0.00 19.45 18.14 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 1.80 1.70 3.68 0.00 0.00 -1.25 -4.75 105.19 106.36 1fa4 n GLY 83 Ca 0.17 -1.40 -0.37 0.00 0.00 0.00 0.00 46.02 44.42 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 -1.89 4.16 0.24 1.61 2.02 -1.26 -3.69 118.70 119.88 1fa4 s GLU 84 Ca 0.00 0.00 0.03 0.00 0.02 0.00 0.00 54.97 55.02 1fa4 s GLU 84 Cb 0.00 -3.51 0.04 0.00 0.10 0.00 0.00 34.13 30.76 1fa4 s GLU 84 CO 0.00 0.06 0.33 0.66 0.02 0.00 0.00 175.26 176.34 1fa4 n TYR 85 N 4.19 -2.88 -3.15 1.61 4.02 -0.97 -4.66 117.16 115.32 1fa4 n TYR 85 Ca -0.12 -0.77 0.04 0.00 -0.01 0.00 0.00 57.90 57.05 1fa4 n TYR 85 Cb 0.52 -0.23 -0.00 0.00 -0.02 0.00 0.00 39.34 39.60 1fa4 n TYR 85 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1fa4 s THR 86 N -0.58 -0.76 0.35 -0.72 2.01 -1.26 -3.97 115.64 110.71 1fa4 s THR 86 Ca 0.24 0.00 0.07 0.00 0.31 0.00 0.00 61.69 62.31 1fa4 s THR 86 Cb -0.02 -0.84 -0.01 0.00 0.01 0.00 0.00 72.50 71.64 1fa4 s THR 86 CO 0.15 0.00 0.45 0.72 -0.69 0.00 0.00 174.62 175.26 1fa4 s PHE 87 N 2.88 3.02 0.00 4.92 -0.71 -0.44 -2.62 117.98 125.03 1fa4 s PHE 87 Ca 0.15 -0.27 0.00 0.00 -1.04 0.00 0.00 56.93 55.77 1fa4 s PHE 87 Cb -0.09 -2.02 0.00 0.00 -1.21 0.00 0.00 43.02 39.69 1fa4 s PHE 87 CO -0.22 -0.04 0.00 2.48 -1.34 0.00 0.00 175.22 176.09 1fa4 n TYR 88 N -1.62 0.00 -4.29 3.49 4.11 -0.88 -1.09 117.16 116.87 1fa4 n TYR 88 Ca 0.01 0.00 -0.20 0.00 -0.00 0.00 0.00 57.90 57.71 1fa4 n TYR 88 Cb 0.59 0.00 -0.13 0.00 -0.00 0.00 0.00 39.34 39.80 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 4.54 0.28 0.02 0.00 4.57 -1.95 -3.41 114.58 118.62 1fa4 h GLU 90 Ca -0.41 -0.48 -0.00 0.00 -1.18 0.00 0.00 59.36 57.29 1fa4 h GLU 90 Cb 1.18 0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.95 1fa4 h GLU 90 CO 0.42 1.23 -0.01 -1.00 -1.18 0.00 0.00 179.01 178.47 1fa4 h PRO 91 N -0.28 -0.02 -5.03 0.92 0.13 -1.93 -3.39 132.00 122.40 1fa4 h PRO 91 Ca -0.26 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.47 1fa4 h PRO 91 Cb 1.77 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.93 1fa4 h PRO 91 CO 0.10 -0.01 1.23 0.72 -0.23 0.00 0.00 178.00 179.81 1fa4 n HIS 92 N -2.67 1.57 -3.12 1.56 8.25 -1.26 -4.86 115.22 114.69 1fa4 n HIS 92 Ca -0.00 -1.09 -0.43 0.00 -0.26 0.00 0.00 57.72 55.94 1fa4 n HIS 92 Cb 0.01 -2.00 -0.07 0.00 1.12 0.00 0.00 29.99 29.05 1fa4 n HIS 92 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1fa4 s ARG 93 N 6.63 3.35 0.00 -0.41 0.52 -1.26 -3.66 118.95 124.12 1fa4 s ARG 93 Ca 0.68 -0.31 0.00 0.00 -0.52 0.00 0.00 55.73 55.59 1fa4 s ARG 93 Cb 0.06 -3.92 0.00 0.00 0.52 0.00 0.00 34.95 31.60 1fa4 s ARG 93 CO 0.19 -0.95 0.00 0.41 0.02 0.00 0.00 175.30 174.97 1fa4 n GLY 94 N 4.97 0.83 2.16 -3.53 0.00 -1.26 -4.97 105.19 103.39 1fa4 n GLY 94 Ca -0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.03 5.60 -1.15 4.61 0.00 -1.24 -4.83 120.51 122.47 1fa4 n ALA 95 Ca 0.00 -2.80 -0.05 0.00 0.00 0.00 0.00 53.44 50.59 1fa4 n ALA 95 Cb 0.00 -1.51 -0.02 0.00 0.00 0.00 0.00 19.45 17.92 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 -0.88 0.59 2.65 0.00 0.00 -1.26 -2.20 105.19 104.09 1fa4 n GLY 96 Ca 0.55 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.69 2.43 -3.58 1.61 2.00 -1.21 -4.08 117.12 113.60 1fa4 n MET 97 Ca -0.05 -1.83 -0.26 0.00 0.00 0.00 0.00 57.70 55.56 1fa4 n MET 97 Cb 0.44 -2.72 -0.16 0.00 0.00 0.00 0.00 33.22 30.78 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 3.41 -0.12 0.55 2.03 1.01 -1.26 -2.61 120.40 123.41 1fa4 s VAL 98 Ca 0.51 -0.27 0.04 0.00 0.00 0.00 0.00 61.98 62.26 1fa4 s VAL 98 Cb 0.13 -0.66 0.03 0.00 0.00 0.00 0.00 36.38 35.88 1fa4 s VAL 98 CO -0.02 -0.36 0.32 -0.83 0.00 0.00 0.00 175.10 174.21 1fa4 s GLY 99 N 2.16 2.55 -0.18 4.51 0.00 -0.25 -4.81 107.32 111.31 1fa4 s GLY 99 Ca 0.04 -0.93 -0.12 0.00 0.00 0.00 0.00 44.72 43.70 1fa4 s GLY 99 CO -0.15 -2.02 0.44 0.54 0.00 0.00 0.00 173.10 171.92 1fa4 s LYS 100 N -4.21 0.47 -0.13 2.90 1.02 -1.23 -1.33 119.74 117.23 1fa4 s LYS 100 Ca 0.26 0.75 -0.14 0.00 0.02 0.00 0.00 55.97 56.86 1fa4 s LYS 100 Cb -0.02 0.10 -0.05 0.00 -0.52 0.00 0.00 37.83 37.35 1fa4 s LYS 100 CO 0.16 -0.12 0.31 0.42 -0.92 0.00 0.00 175.35 175.20 1fa4 s ILE 101 N 0.92 5.27 -0.53 2.17 1.01 -1.25 -2.41 121.20 126.39 1fa4 s ILE 101 Ca -0.06 0.59 -0.09 0.00 0.00 0.00 0.00 60.65 61.09 1fa4 s ILE 101 Cb -0.06 -3.63 0.13 0.00 0.01 0.00 0.00 42.46 38.91 1fa4 s ILE 101 CO -0.08 0.44 0.40 -0.89 0.00 0.00 0.00 174.94 174.81 1fa4 s THR 102 N 0.07 4.26 -1.11 2.92 2.01 0.55 -2.30 115.64 122.05 1fa4 s THR 102 Ca 0.18 -2.01 -0.06 0.00 0.31 0.00 0.00 61.69 60.10 1fa4 s THR 102 Cb -0.14 -3.79 0.29 0.00 0.01 0.00 0.00 72.50 68.88 1fa4 s THR 102 CO 0.06 -0.81 1.37 0.52 -0.69 0.00 0.00 174.62 175.07 1fa4 n VAL 103 N 4.63 5.01 -2.92 3.82 0.31 -1.24 -1.35 118.33 126.58 1fa4 n VAL 103 Ca -0.04 -5.65 -0.20 0.00 -0.01 0.00 0.00 64.34 58.44 1fa4 n VAL 103 Cb 0.41 -2.28 0.01 0.00 -0.91 0.00 0.00 33.84 31.07 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 2.01 -0.92 0.56 3.52 0.00 -1.26 -3.96 120.51 120.46 1fa4 n ALA 104 Ca 0.26 0.16 0.04 0.00 0.00 0.00 0.00 53.44 53.90 1fa4 n ALA 104 Cb 0.36 -2.71 0.27 0.00 0.00 0.00 0.00 19.45 17.36 1fa4 n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91