#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 2.39 -0.39 3.84 2.01 -1.26 -4.48 115.64 117.75 1fa4 s THR 2 Ca 0.00 -1.89 0.01 0.00 0.31 0.00 0.00 61.69 60.12 1fa4 s THR 2 Cb 0.00 -2.90 0.12 0.00 0.01 0.00 0.00 72.50 69.73 1fa4 s THR 2 CO 0.00 -0.09 0.19 -0.31 -0.69 0.00 0.00 174.62 173.72 1fa4 s TYR 3 N -2.58 1.82 -0.55 4.92 2.02 -1.04 -4.99 117.35 116.95 1fa4 s TYR 3 Ca 0.37 -2.16 -0.20 0.00 -0.37 0.00 0.00 57.07 54.71 1fa4 s TYR 3 Cb 0.03 -1.77 0.07 0.00 -0.40 0.00 0.00 41.96 39.89 1fa4 s TYR 3 CO 0.20 -0.82 0.72 0.99 -1.57 0.00 0.00 175.55 175.08 1fa4 s THR 4 N 0.80 4.74 -0.41 -0.71 2.01 -1.26 0.40 115.64 121.21 1fa4 s THR 4 Ca 0.15 -0.52 -0.17 0.00 0.31 0.00 0.00 61.69 61.46 1fa4 s THR 4 Cb -0.22 -4.42 0.02 0.00 0.01 0.00 0.00 72.50 67.88 1fa4 s THR 4 CO -0.07 -1.01 0.46 0.68 -0.69 0.00 0.00 174.62 173.99 1fa4 s VAL 5 N 2.97 5.06 0.09 3.82 -7.23 -0.48 -4.96 120.40 119.68 1fa4 s VAL 5 Ca 0.17 -0.22 -0.30 0.00 -1.81 0.00 0.00 61.98 59.82 1fa4 s VAL 5 Cb -0.19 -4.03 -0.05 0.00 0.56 0.00 0.00 36.38 32.66 1fa4 s VAL 5 CO 0.11 -0.40 0.97 -0.54 -0.31 0.00 0.00 175.10 174.93 1fa4 s LYS 6 N 2.22 4.66 -0.88 4.82 1.02 -1.25 -4.23 119.74 126.10 1fa4 s LYS 6 Ca 0.14 1.46 -0.00 0.00 0.02 0.00 0.00 55.97 57.58 1fa4 s LYS 6 Cb -0.17 -3.39 0.26 0.00 -0.52 0.00 0.00 37.83 34.01 1fa4 s LYS 6 CO 0.14 0.14 1.01 1.47 -0.92 0.00 0.00 175.35 177.20 1fa4 n LEU 7 N 3.04 4.83 0.00 3.17 -0.00 -1.26 -2.63 117.00 124.15 1fa4 n LEU 7 Ca 0.03 -5.26 0.00 0.00 -0.00 0.00 0.00 56.01 50.78 1fa4 n LEU 7 Cb 0.49 -1.02 0.00 0.00 -0.00 0.00 0.00 43.42 42.89 1fa4 n LEU 7 CO 0.51 1.77 0.00 0.61 -0.00 0.00 0.00 177.39 180.28 1fa4 n GLY 8 N 1.50 -1.81 0.52 1.47 0.00 -1.24 -4.26 105.19 101.36 1fa4 n GLY 8 Ca 0.26 0.83 0.34 0.00 0.00 0.00 0.00 46.02 47.45 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 0.00 0.07 -0.19 1.61 4.64 -1.81 -3.44 113.55 114.42 1fa4 h SER 9 Ca 0.00 0.02 -0.08 0.00 -0.47 0.00 0.00 61.79 61.25 1fa4 h SER 9 Cb 0.00 0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 1fa4 h SER 9 CO 0.00 0.01 -0.07 -0.67 -0.87 0.00 0.00 176.83 175.22 1fa4 n ASP 10 N -4.25 -3.54 0.00 4.97 -0.08 -1.26 -4.85 116.55 107.54 1fa4 n ASP 10 Ca 0.26 0.10 0.00 0.00 -1.51 0.00 0.00 54.79 53.64 1fa4 n ASP 10 Cb 1.22 -1.40 0.00 0.00 2.34 0.00 0.00 41.12 43.28 1fa4 n ASP 10 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1fa4 n LYS 11 N -2.81 0.45 0.00 -0.67 5.02 -1.26 -5.03 118.16 113.86 1fa4 n LYS 11 Ca -0.04 -0.57 0.00 0.00 -2.02 0.00 0.00 58.31 55.68 1fa4 n LYS 11 Cb 0.14 -0.61 0.00 0.00 -0.02 0.00 0.00 35.03 34.54 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 -0.08 -2.30 0.51 0.72 0.00 -1.26 -5.17 105.19 97.62 1fa4 n GLY 12 Ca 0.00 0.74 -0.04 0.00 0.00 0.00 0.00 46.02 46.72 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 -0.71 0.00 -4.53 0.99 4.32 -1.26 -5.09 117.00 110.72 1fa4 n LEU 13 Ca 0.00 -0.48 -0.35 0.00 -0.02 0.00 0.00 56.01 55.16 1fa4 n LEU 13 Cb 0.00 0.18 -0.11 0.00 -1.62 0.00 0.00 43.42 41.86 1fa4 n LEU 13 CO 0.00 -0.08 -0.29 -0.76 -1.22 0.00 0.00 177.39 175.04 1fa4 s LEU 14 N 0.00 3.52 -0.24 2.23 1.43 -1.26 -3.62 118.68 120.75 1fa4 s LEU 14 Ca 0.04 -0.07 -0.19 0.00 -1.03 0.00 0.00 54.13 52.88 1fa4 s LEU 14 Cb 0.00 -1.90 0.06 0.00 0.03 0.00 0.00 46.19 44.39 1fa4 s LEU 14 CO 0.03 0.11 0.61 0.68 0.23 0.00 0.00 176.35 178.00 1fa4 s VAL 15 N 0.76 -0.00 0.87 -1.59 -7.23 -1.26 -4.30 120.40 107.65 1fa4 s VAL 15 Ca 0.02 0.01 -0.14 0.00 -1.81 0.00 0.00 61.98 60.06 1fa4 s VAL 15 Cb -0.14 -0.86 0.03 0.00 0.56 0.00 0.00 36.38 35.96 1fa4 s VAL 15 CO 0.02 0.00 0.56 0.49 -0.31 0.00 0.00 175.10 175.86 1fa4 n PHE 16 N 3.29 -0.89 -3.35 2.82 3.01 -1.26 -3.72 117.46 117.36 1fa4 n PHE 16 Ca -0.16 0.29 -0.10 0.00 1.01 0.00 0.00 57.45 58.49 1fa4 n PHE 16 Cb 0.56 -1.86 -0.08 0.00 -0.01 0.00 0.00 39.48 38.09 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 -3.50 0.35 0.76 -1.08 2.02 -1.08 -3.68 118.70 112.49 1fa4 s GLU 17 Ca 0.61 0.45 -0.12 0.00 0.02 0.00 0.00 54.97 55.93 1fa4 s GLU 17 Cb -0.26 -0.50 0.05 0.00 0.10 0.00 0.00 34.13 33.52 1fa4 s GLU 17 CO 0.63 -0.70 1.13 -1.25 0.02 0.00 0.00 175.26 175.08 1fa4 s PRO 18 N 2.53 2.35 -0.02 0.39 0.04 -1.26 -3.89 135.00 135.14 1fa4 s PRO 18 Ca 0.12 0.37 -0.23 0.00 0.04 0.00 0.00 61.00 61.29 1fa4 s PRO 18 Cb -0.15 -1.97 -0.16 0.00 0.04 0.00 0.00 34.50 32.25 1fa4 s PRO 18 CO -0.18 -1.37 1.06 0.00 0.04 0.00 0.00 177.00 176.55 1fa4 h ALA 19 N -0.90 -0.29 -2.31 8.56 0.00 -1.93 -3.44 119.26 118.95 1fa4 h ALA 19 Ca -0.46 -0.21 -0.49 0.00 0.00 0.00 0.00 54.91 53.75 1fa4 h ALA 19 Cb 1.28 0.11 0.04 0.00 0.00 0.00 0.00 17.79 19.22 1fa4 h ALA 19 CO 0.64 -0.42 0.16 0.15 0.00 0.00 0.00 179.25 179.78 1fa4 s LYS 20 N -4.04 3.58 -0.26 0.00 1.02 -1.26 -2.46 119.74 116.32 1fa4 s LYS 20 Ca -0.14 0.31 -0.14 0.00 0.02 0.00 0.00 55.97 56.03 1fa4 s LYS 20 Cb 0.01 -2.33 0.08 0.00 -0.52 0.00 0.00 37.83 35.07 1fa4 s LYS 20 CO 0.52 -0.24 0.62 -0.51 -0.92 0.00 0.00 175.35 174.82 1fa4 s LEU 21 N -4.71 -0.77 -0.83 3.17 1.43 -0.72 -4.89 118.68 111.35 1fa4 s LEU 21 Ca 0.49 1.38 -0.14 0.00 -1.03 0.00 0.00 54.13 54.83 1fa4 s LEU 21 Cb -0.10 2.14 0.22 0.00 0.03 0.00 0.00 46.19 48.47 1fa4 s LEU 21 CO 0.45 -0.23 0.77 -0.89 0.23 0.00 0.00 176.35 176.68 1fa4 s THR 22 N 1.71 5.61 0.36 5.49 2.01 -1.26 0.73 115.64 130.29 1fa4 s THR 22 Ca -0.09 -2.47 0.06 0.00 0.31 0.00 0.00 61.69 59.50 1fa4 s THR 22 Cb -0.06 -4.47 -0.00 0.00 0.01 0.00 0.00 72.50 67.97 1fa4 s THR 22 CO -0.18 -1.03 0.50 0.27 -0.69 0.00 0.00 174.62 173.49 1fa4 s ILE 23 N 0.17 3.86 0.68 1.82 -4.36 -1.15 -4.93 121.20 117.30 1fa4 s ILE 23 Ca 0.18 -0.97 -0.03 0.00 -0.26 0.00 0.00 60.65 59.57 1fa4 s ILE 23 Cb -0.10 -3.34 0.08 0.00 1.25 0.00 0.00 42.46 40.36 1fa4 s ILE 23 CO -0.09 -0.14 0.96 -0.54 0.24 0.00 0.00 174.94 175.38 1fa4 s LYS 24 N -4.23 2.01 -1.17 0.37 1.02 -1.26 -3.91 119.74 112.57 1fa4 s LYS 24 Ca 0.47 -0.69 -0.21 0.00 0.02 0.00 0.00 55.97 55.57 1fa4 s LYS 24 Cb -0.10 -2.29 0.02 0.00 -0.52 0.00 0.00 37.83 34.94 1fa4 s LYS 24 CO 0.32 -1.24 1.74 -1.25 -0.92 0.00 0.00 175.35 174.00 1fa4 s PRO 25 N -5.12 3.42 0.00 -1.68 0.04 -1.26 -3.05 135.00 127.34 1fa4 s PRO 25 Ca 0.62 -1.44 0.00 0.00 0.04 0.00 0.00 61.00 60.22 1fa4 s PRO 25 Cb -0.08 -5.38 0.00 0.00 0.04 0.00 0.00 34.50 29.07 1fa4 s PRO 25 CO 0.43 -2.75 0.00 0.41 0.04 0.00 0.00 177.00 175.13 1fa4 n GLY 26 N 5.97 1.30 3.10 0.56 0.00 0.46 -3.94 105.19 112.65 1fa4 n GLY 26 Ca 0.44 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.10 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 -3.75 -4.32 1.61 9.92 -1.17 -3.77 116.55 115.07 1fa4 n ASP 27 Ca 0.00 0.08 -0.36 0.00 -0.53 0.00 0.00 54.79 53.99 1fa4 n ASP 27 Cb 0.00 -0.76 -0.14 0.00 -0.64 0.00 0.00 41.12 39.58 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 -2.10 3.52 -0.24 -3.53 2.01 -1.26 -2.41 115.64 111.63 1fa4 s THR 28 Ca 0.44 -0.57 -0.11 0.00 0.31 0.00 0.00 61.69 61.75 1fa4 s THR 28 Cb -0.07 -2.68 -0.05 0.00 0.01 0.00 0.00 72.50 69.72 1fa4 s THR 28 CO 0.72 0.32 0.20 -0.69 -0.69 0.00 0.00 174.62 174.47 1fa4 s VAL 29 N 1.48 5.33 -0.21 3.82 1.01 -1.02 -2.48 120.40 128.32 1fa4 s VAL 29 Ca 0.04 0.25 -0.10 0.00 0.00 0.00 0.00 61.98 62.18 1fa4 s VAL 29 Cb -0.15 -3.54 -0.05 0.00 0.00 0.00 0.00 36.38 32.64 1fa4 s VAL 29 CO -0.02 0.31 0.13 -0.70 0.00 0.00 0.00 175.10 174.83 1fa4 s GLU 30 N 1.27 4.14 0.04 2.72 -6.30 0.16 -2.06 118.70 118.68 1fa4 s GLU 30 Ca 0.09 -0.24 0.05 0.00 -2.50 0.00 0.00 54.97 52.37 1fa4 s GLU 30 Cb -0.14 -3.44 -0.02 0.00 0.00 0.00 0.00 34.13 30.52 1fa4 s GLU 30 CO 0.06 0.23 -0.15 -0.06 0.02 0.00 0.00 175.26 175.36 1fa4 s PHE 31 N 0.55 1.32 0.00 5.30 0.40 -1.26 -1.38 117.98 122.92 1fa4 s PHE 31 Ca 0.08 -0.37 0.00 0.00 -0.60 0.00 0.00 56.93 56.04 1fa4 s PHE 31 Cb -0.12 -0.78 0.00 0.00 0.51 0.00 0.00 43.02 42.63 1fa4 s PHE 31 CO -0.00 0.05 0.00 1.47 0.70 0.00 0.00 175.22 177.44 1fa4 n LEU 32 N 1.82 0.00 -4.60 -0.37 -0.00 -1.26 -3.79 117.00 108.79 1fa4 n LEU 32 Ca -0.18 0.00 -0.23 0.00 -0.00 0.00 0.00 56.01 55.60 1fa4 n LEU 32 Cb 0.54 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.88 1fa4 n LEU 32 CO 0.23 0.00 -0.36 0.54 -0.00 0.00 0.00 177.39 177.80 1fa4 s ASN 33 N -0.54 4.30 0.00 1.45 4.22 -1.26 -4.55 114.94 118.55 1fa4 s ASN 33 Ca 0.00 -0.75 0.00 0.00 -2.14 0.00 0.00 52.86 49.97 1fa4 s ASN 33 Cb 0.00 -0.70 0.00 0.00 1.28 0.00 0.00 41.25 41.83 1fa4 s ASN 33 CO 0.00 -0.00 0.00 -3.20 -2.04 0.00 0.00 177.10 171.86 1fa4 n ASN 34 N -0.83 0.19 -1.73 3.54 5.15 -1.26 -3.77 115.26 116.55 1fa4 n ASN 34 Ca -0.06 0.00 -0.12 0.00 -0.60 0.00 0.00 54.58 53.80 1fa4 n ASN 34 Cb 0.59 0.00 0.14 0.00 -0.53 0.00 0.00 39.78 39.98 1fa4 n ASN 34 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 1fa4 n LYS 35 N 0.00 2.10 -3.15 1.20 2.85 -1.26 -4.26 118.16 115.64 1fa4 n LYS 35 Ca 0.00 -1.96 -0.18 0.00 -1.05 0.00 0.00 58.31 55.12 1fa4 n LYS 35 Cb 0.00 -1.80 -0.03 0.00 -0.65 0.00 0.00 35.03 32.55 1fa4 n LYS 35 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1fa4 n VAL 36 N -0.40 -0.25 -1.76 0.58 0.31 -1.26 -5.12 118.33 110.44 1fa4 n VAL 36 Ca 0.35 -4.21 -0.30 0.00 -0.01 0.00 0.00 64.34 60.18 1fa4 n VAL 36 Cb 1.19 -0.39 0.19 0.00 -0.91 0.00 0.00 33.84 33.92 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 -1.96 0.37 0.45 5.55 0.04 -1.26 -4.77 135.00 133.42 1fa4 s PRO 37 Ca 0.38 -0.30 -0.06 0.00 0.04 0.00 0.00 61.00 61.06 1fa4 s PRO 37 Cb 0.31 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 33.01 1fa4 s PRO 37 CO -0.09 -2.61 0.75 -1.25 0.04 0.00 0.00 177.00 173.84 1fa4 s PRO 38 N -5.77 3.58 0.23 0.56 0.04 -1.26 -5.07 135.00 127.31 1fa4 s PRO 38 Ca 0.72 0.19 0.11 0.00 0.04 0.00 0.00 61.00 62.07 1fa4 s PRO 38 Cb -0.06 -2.41 -0.05 0.00 0.04 0.00 0.00 34.50 32.02 1fa4 s PRO 38 CO 0.53 -0.13 -0.19 -1.01 0.04 0.00 0.00 177.00 176.25 1fa4 s HIS 39 N -2.62 2.38 -0.11 0.56 3.76 -1.20 -4.51 115.29 113.54 1fa4 s HIS 39 Ca 0.47 -0.32 -0.04 0.00 -0.15 0.00 0.00 55.06 55.03 1fa4 s HIS 39 Cb -0.10 -1.11 0.05 0.00 1.11 0.00 0.00 32.58 32.52 1fa4 s HIS 39 CO 0.41 0.59 0.08 1.21 -0.85 0.00 0.00 174.74 176.18 1fa4 s ASN 40 N -3.07 1.81 -0.26 1.40 2.47 -1.26 -1.60 114.94 114.44 1fa4 s ASN 40 Ca 0.25 -0.31 -0.11 0.00 0.42 0.00 0.00 52.86 53.12 1fa4 s ASN 40 Cb -0.07 -0.19 -0.05 0.00 -1.45 0.00 0.00 41.25 39.49 1fa4 s ASN 40 CO 0.13 -0.31 0.19 -0.69 -3.72 0.00 0.00 177.10 172.70 1fa4 s VAL 41 N 2.16 5.33 -0.22 -5.21 1.01 -1.26 -3.72 120.40 118.49 1fa4 s VAL 41 Ca 0.03 0.20 -0.23 0.00 0.00 0.00 0.00 61.98 61.98 1fa4 s VAL 41 Cb -0.14 -3.52 0.06 0.00 0.00 0.00 0.00 36.38 32.78 1fa4 s VAL 41 CO -0.06 0.30 0.64 0.68 0.00 0.00 0.00 175.10 176.65 1fa4 s VAL 42 N 1.39 0.00 -0.22 2.92 -7.23 -1.26 -3.27 120.40 112.74 1fa4 s VAL 42 Ca 0.08 -0.01 -0.24 0.00 -1.81 0.00 0.00 61.98 60.00 1fa4 s VAL 42 Cb -0.15 -0.90 -0.01 0.00 0.56 0.00 0.00 36.38 35.88 1fa4 s VAL 42 CO 0.07 -0.01 0.78 -0.36 -0.31 0.00 0.00 175.10 175.27 1fa4 s PHE 43 N 0.13 3.35 1.05 2.82 0.08 -1.26 -3.23 117.98 120.92 1fa4 s PHE 43 Ca -0.02 1.10 -0.23 0.00 0.12 0.00 0.00 56.93 57.91 1fa4 s PHE 43 Cb -0.04 -2.98 -0.05 0.00 -0.57 0.00 0.00 43.02 39.38 1fa4 s PHE 43 CO 0.02 -0.31 -0.77 -3.47 -0.10 0.00 0.00 175.22 170.58 1fa4 n ASP 44 N 5.62 -2.85 -0.00 1.36 2.03 -0.93 -4.92 116.55 116.85 1fa4 n ASP 44 Ca 0.04 -0.03 0.06 0.00 0.52 0.00 0.00 54.79 55.37 1fa4 n ASP 44 Cb 0.48 -0.74 -0.08 0.00 -0.72 0.00 0.00 41.12 40.06 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 -3.86 2.88 0.13 -1.67 0.00 -1.26 -4.56 120.51 112.16 1fa4 n ALA 45 Ca -0.01 -0.31 0.02 0.00 0.00 0.00 0.00 53.44 53.15 1fa4 n ALA 45 Cb 0.68 -0.42 -0.03 0.00 0.00 0.00 0.00 19.45 19.68 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 -1.67 2.43 -1.58 0.00 0.00 -1.26 -4.31 120.51 114.12 1fa4 n ALA 46 Ca -0.00 -0.12 -0.31 0.00 0.00 0.00 0.00 53.44 53.00 1fa4 n ALA 46 Cb 0.26 -0.16 -0.01 0.00 0.00 0.00 0.00 19.45 19.54 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 -1.33 6.88 -4.34 0.00 7.99 -1.26 -4.91 117.00 120.03 1fa4 n LEU 47 Ca 0.00 -4.28 -0.18 0.00 -0.01 0.00 0.00 56.01 51.55 1fa4 n LEU 47 Cb 0.09 -1.16 -0.10 0.00 -0.11 0.00 0.00 43.42 42.14 1fa4 n LEU 47 CO 0.10 1.69 -0.36 0.54 -1.51 0.00 0.00 177.39 177.85 1fa4 s ASN 48 N -0.23 2.12 0.08 -1.43 2.20 -1.26 -3.55 114.94 112.86 1fa4 s ASN 48 Ca 0.55 -1.16 0.24 0.00 -0.94 0.00 0.00 52.86 51.56 1fa4 s ASN 48 Cb 0.40 -0.05 0.97 0.00 -2.00 0.00 0.00 41.25 40.57 1fa4 s ASN 48 CO -0.26 -0.41 1.76 -0.81 -2.94 0.00 0.00 177.10 174.44 1fa4 n PRO 49 N -0.41 0.08 -3.35 3.55 -0.04 -1.26 -4.10 135.00 129.46 1fa4 n PRO 49 Ca -0.06 0.16 -0.26 0.00 -0.04 0.00 0.00 63.50 63.29 1fa4 n PRO 49 Cb 0.63 -1.61 -0.09 0.00 -0.04 0.00 0.00 33.50 32.39 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 -1.59 2.77 -1.50 0.55 0.00 -1.26 -5.04 120.51 114.43 1fa4 n ALA 50 Ca 0.05 -3.22 -0.29 0.00 0.00 0.00 0.00 53.44 49.98 1fa4 n ALA 50 Cb 0.30 -0.77 -0.20 0.00 0.00 0.00 0.00 19.45 18.78 1fa4 n ALA 50 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1fa4 n LYS 51 N 2.43 0.01 -4.02 0.00 4.81 -1.26 -4.82 118.16 115.32 1fa4 n LYS 51 Ca 0.27 -0.01 -0.08 0.00 -0.87 0.00 0.00 58.31 57.62 1fa4 n LYS 51 Cb 0.49 -1.23 -0.10 0.00 0.02 0.00 0.00 35.03 34.20 1fa4 n LYS 51 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 1fa4 s SER 52 N 3.49 0.33 -0.68 3.14 0.01 -1.26 -5.09 113.70 113.65 1fa4 s SER 52 Ca 1.33 -0.69 0.05 0.00 1.31 0.00 0.00 55.95 57.95 1fa4 s SER 52 Cb -0.98 0.15 0.24 0.00 0.21 0.00 0.00 66.02 65.63 1fa4 s SER 52 CO 0.53 -0.43 0.73 0.00 0.41 0.00 0.00 173.24 174.48 1fa4 n ALA 53 N 0.96 4.00 0.00 1.44 0.00 -1.26 -4.68 120.51 120.97 1fa4 n ALA 53 Ca -0.20 -4.73 0.00 0.00 0.00 0.00 0.00 53.44 48.51 1fa4 n ALA 53 Cb 0.58 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.03 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 1.09 0.00 0.00 0.00 2.03 -1.26 -4.83 116.55 113.58 1fa4 n ASP 54 Ca 0.28 0.00 0.13 0.00 0.52 0.00 0.00 54.79 55.72 1fa4 n ASP 54 Cb 0.40 0.00 0.62 0.00 -0.72 0.00 0.00 41.12 41.41 1fa4 n ASP 54 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1fa4 n LEU 55 N -0.98 0.00 -0.05 -2.67 -0.00 -1.26 -3.82 117.00 108.22 1fa4 n LEU 55 Ca 0.00 0.41 -0.09 0.00 -0.00 0.00 0.00 56.01 56.33 1fa4 n LEU 55 Cb 0.00 -0.41 -0.04 0.00 -0.00 0.00 0.00 43.42 42.97 1fa4 n LEU 55 CO 0.00 -0.04 -0.84 0.00 -0.00 0.00 0.00 177.39 176.52 1fa4 n ALA 56 N -1.41 1.99 -0.30 1.47 0.00 -1.26 -4.18 120.51 116.83 1fa4 n ALA 56 Ca 0.09 -0.42 0.06 0.00 0.00 0.00 0.00 53.44 53.17 1fa4 n ALA 56 Cb 0.27 0.31 0.16 0.00 0.00 0.00 0.00 19.45 20.19 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 -0.14 0.03 -0.83 0.00 3.64 -1.88 1.09 116.57 118.47 1fa4 h LYS 57 Ca -0.24 -0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 58.88 1fa4 h LYS 57 Cb 1.30 -0.01 -0.16 0.00 -0.41 0.00 0.00 32.23 32.95 1fa4 h LYS 57 CO -0.08 0.02 0.33 0.43 -2.27 0.00 0.00 179.45 177.88 1fa4 n SER 58 N -5.48 4.42 -0.05 4.20 7.64 -1.25 -4.47 113.62 118.64 1fa4 n SER 58 Ca 0.15 -3.19 -0.05 0.00 1.01 0.00 0.00 58.87 56.78 1fa4 n SER 58 Cb 0.51 -0.75 -0.02 0.00 -1.01 0.00 0.00 64.21 62.94 1fa4 n SER 58 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1fa4 n LEU 59 N -0.30 1.32 0.00 -3.43 7.94 0.37 -5.02 117.00 117.89 1fa4 n LEU 59 Ca 0.42 0.22 0.00 0.00 -1.11 0.00 0.00 56.01 55.53 1fa4 n LEU 59 Cb 1.37 -0.59 0.00 0.00 0.53 0.00 0.00 43.42 44.73 1fa4 n LEU 59 CO 0.44 -0.40 0.00 -1.20 -1.11 0.00 0.00 177.39 175.12 1fa4 n SER 60 N -3.82 0.00 -4.31 1.96 7.64 -1.13 -4.74 113.62 109.22 1fa4 n SER 60 Ca -0.08 -0.76 -0.30 0.00 1.01 0.00 0.00 58.87 58.74 1fa4 n SER 60 Cb 0.31 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.36 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 -0.18 2.25 -0.09 1.43 -3.43 -1.20 -5.00 115.29 109.06 1fa4 s HIS 61 Ca 0.00 -0.42 -0.14 0.00 -0.80 0.00 0.00 55.06 53.71 1fa4 s HIS 61 Cb 0.00 -1.40 -0.28 0.00 -1.43 0.00 0.00 32.58 29.47 1fa4 s HIS 61 CO 0.00 0.03 0.57 0.87 -2.00 0.00 0.00 174.74 174.21 1fa4 h LYS 62 N 5.19 0.29 -6.40 -0.38 6.56 -1.94 -3.41 116.57 116.48 1fa4 h LYS 62 Ca -0.44 -0.49 -0.51 0.00 -1.06 0.00 0.00 60.65 58.14 1fa4 h LYS 62 Cb 1.13 0.18 0.23 0.00 -0.57 0.00 0.00 32.23 33.21 1fa4 h LYS 62 CO 0.46 1.24 -1.43 0.00 -2.06 0.00 0.00 179.45 177.65 1fa4 n GLN 63 N -3.79 -0.44 -2.69 3.15 10.64 -1.26 -4.98 117.38 118.00 1fa4 n GLN 63 Ca -0.26 -0.11 -0.19 0.00 -1.83 0.00 0.00 57.00 54.61 1fa4 n GLN 63 Cb 0.96 -1.43 0.08 0.00 -0.86 0.00 0.00 30.24 28.99 1fa4 n GLN 63 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 1fa4 n LEU 64 N 0.81 0.00 -3.93 2.61 4.32 -1.26 -4.84 117.00 114.71 1fa4 n LEU 64 Ca 0.01 -2.20 -0.29 0.00 -0.02 0.00 0.00 56.01 53.51 1fa4 n LEU 64 Cb 0.60 -0.47 -0.12 0.00 -1.62 0.00 0.00 43.42 41.81 1fa4 n LEU 64 CO 0.50 -0.79 -0.02 -0.76 -1.22 0.00 0.00 177.39 175.11 1fa4 s LEU 65 N 0.00 4.83 0.05 2.23 1.02 -0.62 -4.88 118.68 121.30 1fa4 s LEU 65 Ca 0.58 -3.70 -0.02 0.00 0.02 0.00 0.00 54.13 51.02 1fa4 s LEU 65 Cb -0.04 -1.67 -0.27 0.00 0.02 0.00 0.00 46.19 44.23 1fa4 s LEU 65 CO 0.38 -0.12 1.02 0.24 0.02 0.00 0.00 176.35 177.88 1fa4 h MET 66 N 5.66 0.23 -6.93 1.70 2.86 -1.89 -3.17 114.93 113.39 1fa4 h MET 66 Ca 0.11 -0.39 -0.46 0.00 -2.06 0.00 0.00 59.70 56.89 1fa4 h MET 66 Cb 0.78 0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.57 1fa4 h MET 66 CO 0.73 1.13 0.32 0.45 1.06 0.00 0.00 176.91 180.60 1fa4 s SER 67 N -7.01 7.14 -0.65 1.22 0.15 -1.26 -4.88 113.70 108.42 1fa4 s SER 67 Ca -0.06 1.73 -0.27 0.00 0.70 0.00 0.00 55.95 58.05 1fa4 s SER 67 Cb 0.07 -2.55 0.02 0.00 -1.71 0.00 0.00 66.02 61.86 1fa4 s SER 67 CO 0.86 -0.18 1.37 -2.16 1.20 0.00 0.00 173.24 174.33 1fa4 s PRO 68 N -2.53 3.22 0.00 5.44 0.04 -1.26 -3.21 135.00 136.69 1fa4 s PRO 68 Ca 0.55 0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.72 1fa4 s PRO 68 Cb -0.14 -4.16 0.00 0.00 0.04 0.00 0.00 34.50 30.24 1fa4 s PRO 68 CO 0.19 -2.07 0.00 0.41 0.04 0.00 0.00 177.00 175.57 1fa4 n GLY 69 N 5.32 2.17 3.58 0.56 0.00 -1.25 -5.00 105.19 110.57 1fa4 n GLY 69 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.18 2.75 0.00 1.61 0.74 -1.20 -4.65 119.66 118.74 1fa4 s GLN 70 Ca 0.00 1.59 0.00 0.00 0.05 0.00 0.00 55.36 57.00 1fa4 s GLN 70 Cb 0.00 -4.42 0.00 0.00 1.10 0.00 0.00 33.01 29.69 1fa4 s GLN 70 CO 0.00 -2.54 0.00 -1.13 -0.55 0.00 0.00 175.29 171.07 1fa4 n SER 71 N 13.06 0.21 -3.67 6.67 3.41 -1.26 -4.60 113.62 127.45 1fa4 n SER 71 Ca 0.30 -0.15 -0.08 0.00 -0.26 0.00 0.00 58.87 58.68 1fa4 n SER 71 Cb 0.49 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.35 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 -0.95 -0.43 0.15 6.66 -1.32 -1.25 -5.08 115.64 113.42 1fa4 s THR 72 Ca 0.00 0.11 -0.30 0.00 -1.21 0.00 0.00 61.69 60.29 1fa4 s THR 72 Cb 0.00 -0.73 -0.07 0.00 -1.51 0.00 0.00 72.50 70.19 1fa4 s THR 72 CO 0.00 0.04 0.98 -0.94 -2.21 0.00 0.00 174.62 172.49 1fa4 s SER 73 N 2.17 7.49 -0.35 8.08 1.04 -1.26 -4.33 113.70 126.54 1fa4 s SER 73 Ca -0.06 1.87 -0.14 0.00 0.48 0.00 0.00 55.95 58.10 1fa4 s SER 73 Cb -0.10 -2.60 -0.01 0.00 0.10 0.00 0.00 66.02 63.42 1fa4 s SER 73 CO -0.14 -0.04 0.31 -0.89 0.98 0.00 0.00 173.24 173.46 1fa4 s THR 74 N -0.29 5.22 -1.18 2.02 2.01 -0.87 -4.98 115.64 117.56 1fa4 s THR 74 Ca 0.46 -0.16 -0.18 0.00 0.31 0.00 0.00 61.69 62.12 1fa4 s THR 74 Cb -0.25 -3.81 0.10 0.00 0.01 0.00 0.00 72.50 68.55 1fa4 s THR 74 CO 0.31 -0.11 1.53 0.28 -0.69 0.00 0.00 174.62 175.94 1fa4 s THR 75 N 1.88 4.41 0.50 -0.82 -1.32 -1.26 -2.45 115.64 116.58 1fa4 s THR 75 Ca 0.09 -1.88 -0.19 0.00 -1.21 0.00 0.00 61.69 58.50 1fa4 s THR 75 Cb -0.17 -5.05 -0.13 0.00 -1.51 0.00 0.00 72.50 65.64 1fa4 s THR 75 CO 0.11 -1.84 0.17 0.49 -2.21 0.00 0.00 174.62 171.34 1fa4 n PHE 76 N 7.49 -1.88 -1.61 9.09 3.01 -1.01 -4.92 117.46 127.63 1fa4 n PHE 76 Ca 0.40 0.49 -0.29 0.00 1.01 0.00 0.00 57.45 59.06 1fa4 n PHE 76 Cb 0.46 -1.81 0.12 0.00 -0.01 0.00 0.00 39.48 38.24 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 -1.38 1.50 0.00 -1.08 0.04 -1.26 -4.14 135.00 128.68 1fa4 s PRO 77 Ca 0.61 0.33 0.09 0.00 0.04 0.00 0.00 61.00 62.08 1fa4 s PRO 77 Cb -0.51 -1.88 0.57 0.00 0.04 0.00 0.00 34.50 32.71 1fa4 s PRO 77 CO 0.61 -1.96 1.25 0.00 0.04 0.00 0.00 177.00 176.95 1fa4 n ALA 78 N -3.61 2.42 -0.76 8.56 0.00 -1.25 -0.40 120.51 125.47 1fa4 n ALA 78 Ca 0.07 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1fa4 n ALA 78 Cb 0.59 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.89 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 -0.67 0.00 -2.33 0.00 2.03 -1.26 -4.75 116.55 109.57 1fa4 n ASP 79 Ca 0.07 0.01 -0.00 0.00 0.52 0.00 0.00 54.79 55.38 1fa4 n ASP 79 Cb 0.03 -0.12 -0.00 0.00 -0.72 0.00 0.00 41.12 40.31 1fa4 n ASP 79 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1fa4 n ALA 80 N -1.70 -1.93 -2.34 -1.67 0.00 -1.26 -4.67 120.51 106.94 1fa4 n ALA 80 Ca 0.00 0.53 -0.43 0.00 0.00 0.00 0.00 53.44 53.54 1fa4 n ALA 80 Cb 0.00 -1.53 -0.02 0.00 0.00 0.00 0.00 19.45 17.90 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 -0.51 3.79 -0.44 0.00 0.04 -1.26 -4.87 135.00 131.74 1fa4 s PRO 81 Ca -0.02 1.24 -0.38 0.00 0.04 0.00 0.00 61.00 61.88 1fa4 s PRO 81 Cb 0.00 -3.95 -0.15 0.00 0.04 0.00 0.00 34.50 30.44 1fa4 s PRO 81 CO 0.05 -1.29 2.20 0.00 0.04 0.00 0.00 177.00 178.00 1fa4 n ALA 82 N 8.16 0.71 0.00 8.56 0.00 -1.26 -4.48 120.51 132.20 1fa4 n ALA 82 Ca 0.16 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1fa4 n ALA 82 Cb 0.47 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.55 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 6.91 -0.11 3.15 0.00 0.00 -1.14 -4.94 105.19 109.05 1fa4 n GLY 83 Ca 0.48 0.59 0.04 0.00 0.00 0.00 0.00 46.02 47.13 1fa4 n GLY 83 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1fa4 s GLU 84 N 0.00 0.55 0.01 1.61 -1.05 -1.26 -3.93 118.70 114.64 1fa4 s GLU 84 Ca 0.00 0.82 -0.28 0.00 -0.15 0.00 0.00 54.97 55.36 1fa4 s GLU 84 Cb 0.00 0.43 -0.04 0.00 -0.44 0.00 0.00 34.13 34.08 1fa4 s GLU 84 CO 0.00 -0.76 0.87 0.71 0.95 0.00 0.00 175.26 177.03 1fa4 s TYR 85 N 2.85 3.68 -0.25 4.83 2.02 -0.16 -4.47 117.35 125.86 1fa4 s TYR 85 Ca 0.17 1.57 -0.04 0.00 -0.37 0.00 0.00 57.07 58.40 1fa4 s TYR 85 Cb -0.13 -2.98 0.01 0.00 -0.40 0.00 0.00 41.96 38.45 1fa4 s TYR 85 CO -0.23 0.10 -0.02 0.99 -1.57 0.00 0.00 175.55 174.83 1fa4 s THR 86 N 0.60 3.39 0.41 -0.71 2.01 -1.23 -0.30 115.64 119.81 1fa4 s THR 86 Ca 0.45 -0.70 0.07 0.00 0.31 0.00 0.00 61.69 61.83 1fa4 s THR 86 Cb -0.21 -2.65 -0.04 0.00 0.01 0.00 0.00 72.50 69.61 1fa4 s THR 86 CO 0.25 0.27 0.25 0.72 -0.69 0.00 0.00 174.62 175.41 1fa4 s PHE 87 N 1.44 2.64 0.00 4.92 -0.71 -1.14 -2.19 117.98 122.94 1fa4 s PHE 87 Ca 0.03 -0.55 0.00 0.00 -1.04 0.00 0.00 56.93 55.37 1fa4 s PHE 87 Cb -0.16 -2.03 0.00 0.00 -1.21 0.00 0.00 43.02 39.63 1fa4 s PHE 87 CO -0.02 0.09 0.00 2.48 -1.34 0.00 0.00 175.22 176.42 1fa4 n TYR 88 N -1.34 0.00 -4.59 3.49 4.11 -1.20 -2.42 117.16 115.20 1fa4 n TYR 88 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 57.90 57.68 1fa4 n TYR 88 Cb 0.64 0.00 -0.15 0.00 -0.00 0.00 0.00 39.34 39.83 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 5.50 0.26 0.00 0.00 4.57 -1.92 -3.32 114.58 119.67 1fa4 h GLU 90 Ca -0.36 -0.18 -0.00 0.00 -1.18 0.00 0.00 59.36 57.64 1fa4 h GLU 90 Cb 1.16 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.78 1fa4 h GLU 90 CO 0.47 0.79 -0.00 -1.00 -1.18 0.00 0.00 179.01 178.09 1fa4 h PRO 91 N -0.24 -0.00 -3.95 0.92 0.13 -1.92 -3.37 132.00 123.58 1fa4 h PRO 91 Ca -0.00 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.65 1fa4 h PRO 91 Cb 0.80 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.96 1fa4 h PRO 91 CO 0.04 -0.00 2.35 0.72 -0.23 0.00 0.00 178.00 180.88 1fa4 n HIS 92 N -2.49 1.46 0.98 1.56 8.25 -1.26 -4.41 115.22 119.30 1fa4 n HIS 92 Ca -0.00 -1.77 0.13 0.00 -0.26 0.00 0.00 57.72 55.82 1fa4 n HIS 92 Cb 0.00 -1.60 0.44 0.00 1.12 0.00 0.00 29.99 29.96 1fa4 n HIS 92 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1fa4 n ARG 93 N 5.52 0.01 -2.71 -0.41 1.74 -1.25 -3.99 116.66 115.58 1fa4 n ARG 93 Ca 0.44 0.01 -0.25 0.00 -0.77 0.00 0.00 57.85 57.27 1fa4 n ARG 93 Cb 0.24 -1.51 -0.01 0.00 -1.02 0.00 0.00 32.46 30.16 1fa4 n ARG 93 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1fa4 n GLY 94 N 1.49 5.36 2.64 -0.13 0.00 -1.26 -4.75 105.19 108.55 1fa4 n GLY 94 Ca 0.06 -2.60 -0.01 0.00 0.00 0.00 0.00 46.02 43.47 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 -0.32 2.80 -1.50 4.61 0.00 -1.26 -4.96 120.51 119.89 1fa4 n ALA 95 Ca 0.33 -1.73 -0.09 0.00 0.00 0.00 0.00 53.44 51.95 1fa4 n ALA 95 Cb 0.57 -0.82 -0.03 0.00 0.00 0.00 0.00 19.45 19.17 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 -1.05 0.55 2.19 0.00 0.00 -1.26 -4.53 105.19 101.09 1fa4 n GLY 96 Ca -0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.81 3.01 -3.85 1.61 2.00 -1.26 -4.44 117.12 112.39 1fa4 n MET 97 Ca -0.09 -1.75 -0.28 0.00 0.00 0.00 0.00 57.70 55.58 1fa4 n MET 97 Cb 0.34 -2.46 -0.16 0.00 0.00 0.00 0.00 33.22 30.95 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 1.51 0.95 0.21 2.03 1.01 -1.26 -3.23 120.40 121.61 1fa4 s VAL 98 Ca 0.68 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 62.05 1fa4 s VAL 98 Cb 0.24 -1.22 0.04 0.00 0.00 0.00 0.00 36.38 35.44 1fa4 s VAL 98 CO -0.04 0.02 0.29 0.61 0.00 0.00 0.00 175.10 175.98 1fa4 n GLY 99 N 4.92 1.39 3.64 4.51 0.00 -1.02 -4.89 105.19 113.73 1fa4 n GLY 99 Ca -0.11 -2.08 -0.02 0.00 0.00 0.00 0.00 46.02 43.81 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 -3.03 0.59 -0.28 1.61 1.02 -1.03 -2.88 119.74 115.75 1fa4 s LYS 100 Ca 0.20 1.37 -0.19 0.00 0.02 0.00 0.00 55.97 57.37 1fa4 s LYS 100 Cb -0.01 0.69 -0.02 0.00 -0.52 0.00 0.00 37.83 37.97 1fa4 s LYS 100 CO 0.13 -0.18 0.58 0.42 -0.92 0.00 0.00 175.35 175.38 1fa4 s ILE 101 N 2.58 5.00 -0.62 2.17 1.01 0.59 -1.76 121.20 130.18 1fa4 s ILE 101 Ca -0.07 0.92 -0.10 0.00 0.00 0.00 0.00 60.65 61.40 1fa4 s ILE 101 Cb -0.10 -3.91 0.16 0.00 0.01 0.00 0.00 42.46 38.62 1fa4 s ILE 101 CO -0.19 -0.01 0.51 -0.89 0.00 0.00 0.00 174.94 174.36 1fa4 s THR 102 N 2.45 4.65 -0.20 2.92 2.01 0.22 -0.98 115.64 126.71 1fa4 s THR 102 Ca 0.24 -2.21 -0.11 0.00 0.31 0.00 0.00 61.69 59.92 1fa4 s THR 102 Cb -0.15 -3.98 -0.05 0.00 0.01 0.00 0.00 72.50 68.33 1fa4 s THR 102 CO 0.10 -0.89 0.17 -0.69 -0.69 0.00 0.00 174.62 172.62 1fa4 s VAL 103 N 0.72 5.38 0.74 3.82 1.01 -1.25 -2.93 120.40 127.89 1fa4 s VAL 103 Ca 0.11 0.26 -0.03 0.00 0.00 0.00 0.00 61.98 62.32 1fa4 s VAL 103 Cb -0.21 -3.51 0.13 0.00 0.00 0.00 0.00 36.38 32.80 1fa4 s VAL 103 CO -0.03 0.41 1.02 0.00 0.00 0.00 0.00 175.10 176.50 1fa4 s ALA 104 N 0.50 3.53 0.00 5.51 0.00 -1.26 -2.90 121.76 127.15 1fa4 s ALA 104 Ca 0.09 -1.63 0.00 0.00 0.00 0.00 0.00 51.96 50.43 1fa4 s ALA 104 Cb -0.12 -2.11 0.00 0.00 0.00 0.00 0.00 23.12 20.89 1fa4 s ALA 104 CO 0.00 -1.53 0.17 0.41 0.00 0.00 0.00 175.76 174.81