#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 1.73 -0.16 2.62 2.01 -1.26 -4.15 115.64 116.42 1fa4 s THR 2 Ca 0.00 -0.82 -0.06 0.00 0.31 0.00 0.00 61.69 61.13 1fa4 s THR 2 Cb 0.00 -1.53 -0.04 0.00 0.01 0.00 0.00 72.50 70.95 1fa4 s THR 2 CO 0.00 0.49 0.02 -0.31 -0.69 0.00 0.00 174.62 174.13 1fa4 s TYR 3 N 0.57 3.17 -0.24 4.92 2.02 -0.99 -4.96 117.35 121.84 1fa4 s TYR 3 Ca -0.15 -0.04 0.00 0.00 -0.37 0.00 0.00 57.07 56.51 1fa4 s TYR 3 Cb -0.17 -2.01 0.06 0.00 -0.40 0.00 0.00 41.96 39.45 1fa4 s TYR 3 CO 0.05 0.12 -0.02 -0.08 -1.57 0.00 0.00 175.55 174.05 1fa4 s THR 4 N 0.25 1.32 0.37 -0.71 -1.32 -1.26 0.26 115.64 114.55 1fa4 s THR 4 Ca 0.01 -1.16 -0.01 0.00 -1.21 0.00 0.00 61.69 59.32 1fa4 s THR 4 Cb -0.13 -1.68 -0.04 0.00 -1.51 0.00 0.00 72.50 69.15 1fa4 s THR 4 CO 0.01 -0.19 0.59 0.68 -2.21 0.00 0.00 174.62 173.51 1fa4 s VAL 5 N 1.48 5.06 -0.53 5.08 -7.23 -0.46 -4.91 120.40 118.89 1fa4 s VAL 5 Ca -0.03 -0.29 0.04 0.00 -1.81 0.00 0.00 61.98 59.89 1fa4 s VAL 5 Cb -0.18 -3.85 0.15 0.00 0.56 0.00 0.00 36.38 33.06 1fa4 s VAL 5 CO -0.08 -0.59 0.35 -0.54 -0.31 0.00 0.00 175.10 173.93 1fa4 s LYS 6 N -4.33 1.64 -0.84 4.82 1.02 -1.25 -2.56 119.74 118.25 1fa4 s LYS 6 Ca 0.42 -2.53 -0.30 0.00 0.02 0.00 0.00 55.97 53.58 1fa4 s LYS 6 Cb -0.10 -2.55 -0.18 0.00 -0.52 0.00 0.00 37.83 34.48 1fa4 s LYS 6 CO 0.37 -1.25 2.60 1.47 -0.92 0.00 0.00 175.35 177.61 1fa4 n LEU 7 N 2.81 0.85 0.00 3.17 -0.00 -1.25 -4.12 117.00 118.47 1fa4 n LEU 7 Ca 0.17 0.04 0.00 0.00 -0.00 0.00 0.00 56.01 56.22 1fa4 n LEU 7 Cb 0.38 -1.09 0.00 0.00 -0.00 0.00 0.00 43.42 42.71 1fa4 n LEU 7 CO 0.22 -0.93 0.00 0.61 -0.00 0.00 0.00 177.39 177.29 1fa4 n GLY 8 N 6.42 1.43 0.00 1.47 0.00 0.38 -3.02 105.19 111.87 1fa4 n GLY 8 Ca 0.58 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 0.00 0.00 0.00 1.61 3.41 -1.11 -4.40 113.62 113.13 1fa4 n SER 9 Ca 0.00 0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 1fa4 n SER 9 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 -0.44 0.00 -0.00 4.04 2.03 -1.26 -4.87 116.55 116.05 1fa4 n ASP 10 Ca 0.00 0.00 0.03 0.00 0.52 0.00 0.00 54.79 55.34 1fa4 n ASP 10 Cb 0.00 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.36 1fa4 n ASP 10 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1fa4 n LYS 11 N 0.00 2.73 0.00 -0.67 4.81 -1.26 -4.89 118.16 118.88 1fa4 n LYS 11 Ca 0.00 -0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.41 1fa4 n LYS 11 Cb 0.00 -0.94 0.00 0.00 0.02 0.00 0.00 35.03 34.11 1fa4 n LYS 11 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1fa4 n GLY 12 N 1.64 0.04 0.00 3.14 0.00 -1.26 -5.14 105.19 103.61 1fa4 n GLY 12 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.54 0.00 -4.22 0.99 7.94 -1.26 -5.04 117.00 114.87 1fa4 n LEU 13 Ca 0.00 0.00 -0.42 0.00 -1.11 0.00 0.00 56.01 54.48 1fa4 n LEU 13 Cb 0.00 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 43.88 1fa4 n LEU 13 CO 0.00 0.00 0.12 -0.76 -1.11 0.00 0.00 177.39 175.64 1fa4 s LEU 14 N 0.00 5.89 0.04 -1.96 1.43 -1.26 -2.75 118.68 120.07 1fa4 s LEU 14 Ca 0.00 -2.36 -0.07 0.00 -1.03 0.00 0.00 54.13 50.68 1fa4 s LEU 14 Cb 0.00 -2.03 -0.01 0.00 0.03 0.00 0.00 46.19 44.18 1fa4 s LEU 14 CO 0.00 -0.59 0.12 0.68 0.23 0.00 0.00 176.35 176.79 1fa4 s VAL 15 N 0.69 0.13 0.38 -1.59 -7.23 -1.26 -3.72 120.40 107.80 1fa4 s VAL 15 Ca 0.12 -1.08 -0.26 0.00 -1.81 0.00 0.00 61.98 58.95 1fa4 s VAL 15 Cb -0.21 -0.95 -0.09 0.00 0.56 0.00 0.00 36.38 35.69 1fa4 s VAL 15 CO -0.03 -0.59 1.19 -0.36 -0.31 0.00 0.00 175.10 174.99 1fa4 s PHE 16 N -2.74 3.10 -0.25 2.82 0.08 -1.26 -0.47 117.98 119.27 1fa4 s PHE 16 Ca -0.04 1.54 -0.02 0.00 0.12 0.00 0.00 56.93 58.53 1fa4 s PHE 16 Cb -0.00 -3.44 0.08 0.00 -0.57 0.00 0.00 43.02 39.08 1fa4 s PHE 16 CO -0.05 -1.37 0.07 -1.21 -0.10 0.00 0.00 175.22 172.56 1fa4 s GLU 17 N -2.13 0.61 0.62 0.44 2.02 -1.26 -2.93 118.70 116.07 1fa4 s GLU 17 Ca 0.55 -0.66 -0.11 0.00 0.02 0.00 0.00 54.97 54.77 1fa4 s GLU 17 Cb -0.33 -1.93 0.15 0.00 0.10 0.00 0.00 34.13 32.12 1fa4 s GLU 17 CO 0.41 -0.81 0.73 -0.35 0.02 0.00 0.00 175.26 175.26 1fa4 n PRO 18 N 5.01 -1.30 0.00 0.39 -0.04 -1.26 -3.80 135.00 134.00 1fa4 n PRO 18 Ca -0.06 -1.13 0.13 0.00 -0.04 0.00 0.00 63.50 62.39 1fa4 n PRO 18 Cb 0.45 -0.86 0.36 0.00 -0.04 0.00 0.00 33.50 33.41 1fa4 n PRO 18 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1fa4 n ALA 19 N -3.71 3.20 -3.08 0.55 0.00 -1.15 -4.83 120.51 111.48 1fa4 n ALA 19 Ca -0.12 -0.29 -0.14 0.00 0.00 0.00 0.00 53.44 52.89 1fa4 n ALA 19 Cb 0.34 -1.22 -0.15 0.00 0.00 0.00 0.00 19.45 18.43 1fa4 n ALA 19 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1fa4 s LYS 20 N -2.96 0.11 -0.10 0.00 1.02 -1.26 -3.25 119.74 113.29 1fa4 s LYS 20 Ca 0.13 0.00 0.03 0.00 0.02 0.00 0.00 55.97 56.15 1fa4 s LYS 20 Cb 0.18 -0.17 0.01 0.00 -0.52 0.00 0.00 37.83 37.33 1fa4 s LYS 20 CO 0.64 -0.02 -0.18 -0.51 -0.92 0.00 0.00 175.35 174.36 1fa4 s LEU 21 N 0.26 1.88 -0.60 3.17 2.01 0.12 -4.93 118.68 120.59 1fa4 s LEU 21 Ca -0.02 -0.47 -0.16 0.00 0.01 0.00 0.00 54.13 53.49 1fa4 s LEU 21 Cb -0.04 -1.19 0.15 0.00 0.01 0.00 0.00 46.19 45.12 1fa4 s LEU 21 CO -0.01 0.07 0.57 -0.89 1.01 0.00 0.00 176.35 177.10 1fa4 s THR 22 N 0.69 5.27 0.34 5.49 2.01 -1.26 0.18 115.64 128.36 1fa4 s THR 22 Ca -0.12 -1.67 0.05 0.00 0.31 0.00 0.00 61.69 60.26 1fa4 s THR 22 Cb -0.16 -4.38 0.05 0.00 0.01 0.00 0.00 72.50 68.02 1fa4 s THR 22 CO 0.03 -0.92 0.39 2.30 -0.69 0.00 0.00 174.62 175.73 1fa4 n ILE 23 N 5.01 0.00 -4.25 1.82 -5.35 -0.16 -4.85 119.36 111.58 1fa4 n ILE 23 Ca -0.08 -1.24 -0.30 0.00 -0.27 0.00 0.00 62.75 60.87 1fa4 n ILE 23 Cb 0.42 -0.50 -0.03 0.00 -1.74 0.00 0.00 39.64 37.79 1fa4 n ILE 23 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1fa4 s LYS 24 N -3.50 2.23 -1.26 6.28 1.02 -1.26 -3.59 119.74 119.67 1fa4 s LYS 24 Ca 0.29 -2.22 -0.18 0.00 0.02 0.00 0.00 55.97 53.88 1fa4 s LYS 24 Cb -0.02 -1.86 0.01 0.00 -0.52 0.00 0.00 37.83 35.43 1fa4 s LYS 24 CO 0.19 -0.57 1.92 -0.35 -0.92 0.00 0.00 175.35 175.61 1fa4 n PRO 25 N -1.61 2.61 0.00 -1.68 -0.04 -1.26 -2.92 135.00 130.10 1fa4 n PRO 25 Ca -0.10 -2.80 0.00 0.00 -0.04 0.00 0.00 63.50 60.56 1fa4 n PRO 25 Cb 0.65 -3.43 0.00 0.00 -0.04 0.00 0.00 33.50 30.69 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 5.06 -0.19 0.29 0.55 0.00 -0.81 -4.35 105.19 105.73 1fa4 n GLY 26 Ca 0.49 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.48 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 -1.87 -3.68 1.61 9.92 -1.15 -4.61 116.55 116.78 1fa4 n ASP 27 Ca 0.00 -0.22 -0.25 0.00 -0.53 0.00 0.00 54.79 53.79 1fa4 n ASP 27 Cb 0.00 -0.09 -0.17 0.00 -0.64 0.00 0.00 41.12 40.22 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 -1.12 0.14 -0.21 -3.53 2.01 -1.26 -2.37 115.64 109.30 1fa4 s THR 28 Ca 0.06 -0.14 -0.10 0.00 0.31 0.00 0.00 61.69 61.81 1fa4 s THR 28 Cb -0.01 -0.63 -0.05 0.00 0.01 0.00 0.00 72.50 71.82 1fa4 s THR 28 CO 0.05 -0.11 0.14 -0.69 -0.69 0.00 0.00 174.62 173.32 1fa4 s VAL 29 N 2.04 5.39 0.31 3.82 1.01 -1.11 -2.36 120.40 129.50 1fa4 s VAL 29 Ca 0.02 0.20 0.06 0.00 0.00 0.00 0.00 61.98 62.25 1fa4 s VAL 29 Cb -0.15 -3.48 -0.02 0.00 0.00 0.00 0.00 36.38 32.73 1fa4 s VAL 29 CO -0.07 0.41 0.45 -1.61 0.00 0.00 0.00 175.10 174.28 1fa4 s GLU 30 N 0.58 3.22 0.02 2.72 2.02 0.72 -2.54 118.70 125.45 1fa4 s GLU 30 Ca 0.08 -0.89 -0.14 0.00 0.02 0.00 0.00 54.97 54.04 1fa4 s GLU 30 Cb -0.12 -2.82 0.02 0.00 0.10 0.00 0.00 34.13 31.31 1fa4 s GLU 30 CO 0.00 0.16 0.29 -0.06 0.02 0.00 0.00 175.26 175.67 1fa4 s PHE 31 N -2.14 -0.12 0.00 1.61 0.40 -1.05 -1.36 117.98 115.32 1fa4 s PHE 31 Ca 0.42 0.06 0.00 0.00 -0.60 0.00 0.00 56.93 56.81 1fa4 s PHE 31 Cb -0.09 0.08 0.00 0.00 0.51 0.00 0.00 43.02 43.52 1fa4 s PHE 31 CO 0.31 -0.45 0.00 1.28 0.70 0.00 0.00 175.22 177.06 1fa4 n LEU 32 N 0.87 0.00 -4.58 -0.37 4.32 -1.06 -1.64 117.00 114.55 1fa4 n LEU 32 Ca -0.20 0.00 -0.27 0.00 -0.02 0.00 0.00 56.01 55.52 1fa4 n LEU 32 Cb 0.58 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 42.28 1fa4 n LEU 32 CO 0.21 0.00 -0.26 0.54 -1.22 0.00 0.00 177.39 176.66 1fa4 s ASN 33 N 0.55 3.31 0.00 -1.43 4.22 -1.26 -3.83 114.94 116.50 1fa4 s ASN 33 Ca 0.00 -1.48 0.00 0.00 -2.14 0.00 0.00 52.86 49.24 1fa4 s ASN 33 Cb 0.00 0.03 0.00 0.00 1.28 0.00 0.00 41.25 42.56 1fa4 s ASN 33 CO 0.00 -0.66 0.00 -3.20 -2.04 0.00 0.00 177.10 171.20 1fa4 n ASN 34 N -1.00 0.00 -1.45 3.54 5.15 -1.17 -3.54 115.26 116.79 1fa4 n ASN 34 Ca -0.07 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.91 1fa4 n ASN 34 Cb 0.67 0.00 -0.00 0.00 -0.53 0.00 0.00 39.78 39.91 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 0.15 -2.92 1.20 2.85 -1.26 -4.52 118.16 113.65 1fa4 n LYS 35 Ca 0.00 -1.74 -0.13 0.00 -1.05 0.00 0.00 58.31 55.39 1fa4 n LYS 35 Cb 0.00 0.08 0.04 0.00 -0.65 0.00 0.00 35.03 34.50 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 0.21 -0.05 -1.80 0.58 0.31 -1.26 -5.13 118.33 111.19 1fa4 n VAL 36 Ca -0.06 -2.84 -0.29 0.00 -0.01 0.00 0.00 64.34 61.14 1fa4 n VAL 36 Cb 0.97 0.72 0.16 0.00 -0.91 0.00 0.00 33.84 34.79 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 -0.95 0.89 0.78 5.55 0.04 -1.26 -4.77 135.00 135.28 1fa4 s PRO 37 Ca 0.30 -0.16 -0.09 0.00 0.04 0.00 0.00 61.00 61.09 1fa4 s PRO 37 Cb 0.32 -1.85 0.10 0.00 0.04 0.00 0.00 34.50 33.11 1fa4 s PRO 37 CO -0.06 -2.28 1.11 -1.25 0.04 0.00 0.00 177.00 174.55 1fa4 s PRO 38 N -5.69 1.76 0.01 0.56 0.04 -1.26 -5.07 135.00 125.35 1fa4 s PRO 38 Ca 0.69 -0.33 0.03 0.00 0.04 0.00 0.00 61.00 61.44 1fa4 s PRO 38 Cb -0.08 -2.08 -0.01 0.00 0.04 0.00 0.00 34.50 32.37 1fa4 s PRO 38 CO 0.52 -1.57 -0.11 -1.01 0.04 0.00 0.00 177.00 174.87 1fa4 s HIS 39 N -3.43 0.96 -0.22 0.56 3.76 -1.26 -4.83 115.29 110.82 1fa4 s HIS 39 Ca 0.64 -0.23 -0.04 0.00 -0.15 0.00 0.00 55.06 55.28 1fa4 s HIS 39 Cb -0.09 -0.60 -0.00 0.00 1.11 0.00 0.00 32.58 33.00 1fa4 s HIS 39 CO 0.47 -0.01 -0.05 1.21 -0.85 0.00 0.00 174.74 175.52 1fa4 s ASN 40 N -0.53 4.28 -0.32 1.40 3.04 -1.26 -4.19 114.94 117.35 1fa4 s ASN 40 Ca 0.02 -0.47 -0.07 0.00 0.04 0.00 0.00 52.86 52.38 1fa4 s ASN 40 Cb -0.05 -1.73 0.02 0.00 -1.54 0.00 0.00 41.25 37.95 1fa4 s ASN 40 CO 0.00 -0.04 0.11 -0.69 -3.04 0.00 0.00 177.10 173.44 1fa4 s VAL 41 N 1.46 4.02 0.22 -5.21 1.01 -1.26 -4.14 120.40 116.49 1fa4 s VAL 41 Ca 0.05 -0.82 -0.00 0.00 0.00 0.00 0.00 61.98 61.21 1fa4 s VAL 41 Cb -0.15 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 1fa4 s VAL 41 CO -0.04 -0.03 0.14 -0.69 0.00 0.00 0.00 175.10 174.48 1fa4 s VAL 42 N 1.48 0.08 -0.27 2.92 1.01 -1.26 -3.79 120.40 120.58 1fa4 s VAL 42 Ca 0.01 -2.00 0.02 0.00 0.00 0.00 0.00 61.98 60.01 1fa4 s VAL 42 Cb -0.18 -2.52 0.05 0.00 0.00 0.00 0.00 36.38 33.74 1fa4 s VAL 42 CO 0.03 0.00 -0.08 -0.36 0.00 0.00 0.00 175.10 174.69 1fa4 s PHE 43 N -4.04 3.24 0.27 5.22 0.40 -1.26 -3.60 117.98 118.20 1fa4 s PHE 43 Ca 0.39 -2.16 -0.29 0.00 -0.60 0.00 0.00 56.93 54.28 1fa4 s PHE 43 Cb 0.07 -1.98 -0.14 0.00 0.51 0.00 0.00 43.02 41.47 1fa4 s PHE 43 CO 0.13 -0.85 0.98 -3.47 0.70 0.00 0.00 175.22 172.71 1fa4 n ASP 44 N 4.50 1.06 -0.44 1.36 2.03 -1.25 -4.80 116.55 119.00 1fa4 n ASP 44 Ca -0.14 1.17 0.02 0.00 0.52 0.00 0.00 54.79 56.36 1fa4 n ASP 44 Cb 0.43 -1.25 0.08 0.00 -0.72 0.00 0.00 41.12 39.66 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 0.36 2.57 -1.28 -1.67 0.00 -1.26 -3.49 120.51 115.74 1fa4 n ALA 45 Ca 0.11 -0.32 0.08 0.00 0.00 0.00 0.00 53.44 53.31 1fa4 n ALA 45 Cb 0.30 -1.00 0.17 0.00 0.00 0.00 0.00 19.45 18.92 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 0.02 2.84 -2.54 0.00 0.00 -1.26 -4.70 120.51 114.87 1fa4 n ALA 46 Ca 0.06 -2.90 -0.15 0.00 0.00 0.00 0.00 53.44 50.45 1fa4 n ALA 46 Cb 0.23 -0.38 0.02 0.00 0.00 0.00 0.00 19.45 19.32 1fa4 n ALA 46 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1fa4 n LEU 47 N -1.30 2.97 -4.45 0.00 -0.00 -1.23 -5.07 117.00 107.92 1fa4 n LEU 47 Ca 0.17 -4.17 -0.26 0.00 -0.00 0.00 0.00 56.01 51.76 1fa4 n LEU 47 Cb 0.67 0.06 -0.11 0.00 -0.00 0.00 0.00 43.42 44.04 1fa4 n LEU 47 CO -0.01 1.74 -0.50 0.54 -0.00 0.00 0.00 177.39 179.16 1fa4 s ASN 48 N -3.46 3.57 0.42 1.45 2.20 -1.26 -4.58 114.94 113.28 1fa4 s ASN 48 Ca 0.37 -0.90 0.23 0.00 -0.94 0.00 0.00 52.86 51.62 1fa4 s ASN 48 Cb 0.41 -0.31 0.52 0.00 -2.00 0.00 0.00 41.25 39.86 1fa4 s ASN 48 CO -0.04 0.09 1.66 1.55 -2.94 0.00 0.00 177.10 177.42 1fa4 h PRO 49 N 2.83 0.00 0.00 3.55 0.13 -1.92 -3.24 132.00 133.34 1fa4 h PRO 49 Ca -0.44 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.66 1fa4 h PRO 49 Cb 1.23 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.30 1fa4 h PRO 49 CO 0.53 0.13 -0.51 0.00 -0.23 0.00 0.00 178.00 177.93 1fa4 n ALA 50 N -2.14 3.18 -4.21 -0.56 0.00 -1.26 -4.97 120.51 110.54 1fa4 n ALA 50 Ca 0.03 -2.97 -0.31 0.00 0.00 0.00 0.00 53.44 50.19 1fa4 n ALA 50 Cb 0.52 -0.42 -0.09 0.00 0.00 0.00 0.00 19.45 19.46 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 -0.87 -0.91 -4.73 0.00 4.81 -1.23 -4.90 118.16 110.33 1fa4 n LYS 51 Ca 0.16 0.09 -0.33 0.00 -0.87 0.00 0.00 58.31 57.36 1fa4 n LYS 51 Cb 0.75 -3.51 -0.12 0.00 0.02 0.00 0.00 35.03 32.17 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 -4.07 4.38 -0.13 3.14 0.01 -1.26 -5.00 113.70 110.76 1fa4 s SER 52 Ca 0.14 -0.11 0.17 0.00 1.31 0.00 0.00 55.95 57.46 1fa4 s SER 52 Cb -0.08 -1.08 0.30 0.00 0.21 0.00 0.00 66.02 65.36 1fa4 s SER 52 CO 0.93 0.34 1.15 0.00 0.41 0.00 0.00 173.24 176.08 1fa4 n ALA 53 N 2.35 2.48 0.08 1.44 0.00 -1.26 -4.68 120.51 120.92 1fa4 n ALA 53 Ca -0.18 -2.64 -0.12 0.00 0.00 0.00 0.00 53.44 50.50 1fa4 n ALA 53 Cb 0.53 -0.39 -0.13 0.00 0.00 0.00 0.00 19.45 19.46 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 0.18 0.23 -0.56 0.00 5.19 -2.01 -3.23 116.42 116.24 1fa4 h ASP 54 Ca -0.00 -0.26 -0.06 0.00 -0.62 0.00 0.00 57.03 56.08 1fa4 h ASP 54 Cb 1.04 -0.08 -0.04 0.00 0.18 0.00 0.00 39.33 40.43 1fa4 h ASP 54 CO 0.00 1.21 0.08 0.00 -3.12 0.00 0.00 179.24 177.41 1fa4 n LEU 55 N -3.43 5.32 -0.04 1.55 -0.00 -1.26 -4.15 117.00 114.99 1fa4 n LEU 55 Ca -0.06 -2.72 -0.04 0.00 -0.00 0.00 0.00 56.01 53.18 1fa4 n LEU 55 Cb 0.99 -0.68 -0.05 0.00 -0.00 0.00 0.00 43.42 43.68 1fa4 n LEU 55 CO 0.50 0.64 -0.74 0.00 -0.00 0.00 0.00 177.39 177.79 1fa4 n ALA 56 N 0.34 1.83 -0.03 1.47 0.00 -1.22 -4.09 120.51 118.80 1fa4 n ALA 56 Ca 0.28 -0.42 -0.13 0.00 0.00 0.00 0.00 53.44 53.17 1fa4 n ALA 56 Cb 1.15 0.18 -0.10 0.00 0.00 0.00 0.00 19.45 20.68 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 0.12 0.00 0.00 6.56 -1.72 -2.41 116.57 119.12 1fa4 h LYS 57 Ca -0.19 -0.08 0.00 0.00 -1.06 0.00 0.00 60.65 59.33 1fa4 h LYS 57 Cb 1.37 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 33.04 1fa4 h LYS 57 CO -0.01 0.65 0.00 0.45 -2.06 0.00 0.00 179.45 178.49 1fa4 n SER 58 N -4.71 0.00 -0.08 0.86 2.88 -1.26 -3.45 113.62 107.86 1fa4 n SER 58 Ca -0.08 -0.60 -0.21 0.00 -1.33 0.00 0.00 58.87 56.65 1fa4 n SER 58 Cb 0.33 -0.11 -0.12 0.00 -0.75 0.00 0.00 64.21 63.57 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 0.08-10.48 2.46 5.85 -1.65 -3.48 115.31 108.09 1fa4 h LEU 59 Ca 0.00 -0.61 -0.49 0.00 0.84 0.00 0.00 57.88 57.62 1fa4 h LEU 59 Cb 0.09 -0.02 0.08 0.00 0.37 0.00 0.00 40.66 41.18 1fa4 h LEU 59 CO 0.00 1.52 0.41 -0.94 -0.34 0.00 0.00 178.44 179.09 1fa4 s SER 60 N -6.85 5.39 0.00 1.25 1.04 -0.93 -4.78 113.70 108.81 1fa4 s SER 60 Ca -0.27 1.13 0.00 0.00 0.48 0.00 0.00 55.95 57.29 1fa4 s SER 60 Cb 0.05 -1.92 0.00 0.00 0.10 0.00 0.00 66.02 64.26 1fa4 s SER 60 CO 0.63 -1.38 0.00 0.00 0.98 0.00 0.00 173.24 173.47 1fa4 n HIS 61 N -3.03 0.00 -0.08 5.02 1.44 -1.25 -4.94 115.22 112.38 1fa4 n HIS 61 Ca 0.07 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.78 1fa4 n HIS 61 Cb 0.57 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.68 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 0.27 -2.70 -1.40 5.02 -1.26 -4.82 118.16 113.27 1fa4 n LYS 62 Ca 0.00 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.23 1fa4 n LYS 62 Cb 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.05 1fa4 n LYS 62 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1fa4 n GLN 63 N -0.51 1.88 -3.60 1.97 10.64 -1.26 -4.43 117.38 122.06 1fa4 n GLN 63 Ca 0.00 -3.56 -0.27 0.00 -1.83 0.00 0.00 57.00 51.33 1fa4 n GLN 63 Cb 0.00 -1.63 -0.10 0.00 -0.86 0.00 0.00 30.24 27.65 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 -0.50 2.12 -4.52 2.61 4.32 -1.26 -4.42 117.00 115.35 1fa4 n LEU 64 Ca 0.13 -5.03 -0.43 0.00 -0.02 0.00 0.00 56.01 50.66 1fa4 n LEU 64 Cb 0.82 -0.30 -0.04 0.00 -1.62 0.00 0.00 43.42 42.28 1fa4 n LEU 64 CO 0.16 1.89 0.80 -0.76 -1.22 0.00 0.00 177.39 178.26 1fa4 s LEU 65 N -1.35 4.02 0.00 2.23 1.02 -1.26 -4.82 118.68 118.53 1fa4 s LEU 65 Ca 0.31 -0.37 0.13 0.00 0.02 0.00 0.00 54.13 54.22 1fa4 s LEU 65 Cb 0.05 -2.81 0.20 0.00 0.02 0.00 0.00 46.19 43.65 1fa4 s LEU 65 CO -0.13 -1.30 1.06 0.80 0.02 0.00 0.00 176.35 176.80 1fa4 n MET 66 N 7.67 1.60 -3.69 1.70 1.56 -1.26 -4.23 117.12 120.46 1fa4 n MET 66 Ca 0.02 -1.62 -0.36 0.00 -0.27 0.00 0.00 57.70 55.47 1fa4 n MET 66 Cb 0.47 -1.28 -0.07 0.00 2.15 0.00 0.00 33.22 34.50 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 -1.06 6.38 -1.30 6.12 0.15 -1.26 -5.00 113.70 117.73 1fa4 s SER 67 Ca 0.20 0.44 -0.18 0.00 0.70 0.00 0.00 55.95 57.11 1fa4 s SER 67 Cb 0.12 -2.13 0.05 0.00 -1.71 0.00 0.00 66.02 62.35 1fa4 s SER 67 CO 0.17 0.23 1.81 -0.81 1.20 0.00 0.00 173.24 175.84 1fa4 n PRO 68 N 2.97 2.99 0.00 5.44 -0.04 -1.26 -3.71 135.00 141.38 1fa4 n PRO 68 Ca -0.16 -3.12 0.00 0.00 -0.04 0.00 0.00 63.50 60.19 1fa4 n PRO 68 Cb 0.53 -3.50 0.00 0.00 -0.04 0.00 0.00 33.50 30.49 1fa4 n PRO 68 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1fa4 n GLY 69 N 5.30 0.81 0.00 0.55 0.00 -1.23 -4.96 105.19 105.66 1fa4 n GLY 69 Ca 0.49 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.48 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 0.00 0.00 0.00 1.61 0.00 -1.24 -4.77 117.38 112.98 1fa4 n GLN 70 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 1fa4 n GLN 70 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 1fa4 n GLN 70 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 1fa4 n SER 71 N 0.00 0.00 -3.61 1.69 3.41 -0.65 -4.35 113.62 110.11 1fa4 n SER 71 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.51 1fa4 n SER 71 Cb 0.00 -0.02 -0.02 0.00 -0.26 0.00 0.00 64.21 63.91 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 -0.11 0.00 -0.15 6.66 -1.32 -1.12 -5.00 115.64 114.60 1fa4 s THR 72 Ca 0.00 -0.42 -0.00 0.00 -1.21 0.00 0.00 61.69 60.06 1fa4 s THR 72 Cb 0.00 -1.43 -0.01 0.00 -1.51 0.00 0.00 72.50 69.56 1fa4 s THR 72 CO 0.00 0.00 -0.14 -0.55 -2.21 0.00 0.00 174.62 171.72 1fa4 s SER 73 N -2.81 3.80 -0.44 8.08 0.15 -1.26 -2.54 113.70 118.67 1fa4 s SER 73 Ca 0.05 -0.42 -0.08 0.00 0.70 0.00 0.00 55.95 56.20 1fa4 s SER 73 Cb -0.03 -1.59 0.10 0.00 -1.71 0.00 0.00 66.02 62.80 1fa4 s SER 73 CO -0.04 0.10 0.28 -0.89 1.20 0.00 0.00 173.24 173.89 1fa4 s THR 74 N 0.72 3.99 -1.29 6.45 2.01 -1.05 -5.00 115.64 121.47 1fa4 s THR 74 Ca -0.06 -1.72 -0.18 0.00 0.31 0.00 0.00 61.69 60.04 1fa4 s THR 74 Cb -0.15 -3.58 0.06 0.00 0.01 0.00 0.00 72.50 68.83 1fa4 s THR 74 CO 0.02 -0.66 1.75 -0.89 -0.69 0.00 0.00 174.62 174.15 1fa4 s THR 75 N 1.33 4.07 0.33 -0.82 2.01 -1.26 -2.76 115.64 118.54 1fa4 s THR 75 Ca 0.05 -1.82 -0.18 0.00 0.31 0.00 0.00 61.69 60.05 1fa4 s THR 75 Cb -0.24 -5.15 -0.13 0.00 0.01 0.00 0.00 72.50 66.99 1fa4 s THR 75 CO -0.01 -1.94 0.09 0.49 -0.69 0.00 0.00 174.62 172.56 1fa4 n PHE 76 N 8.91 -1.73 -1.59 4.92 3.01 -1.00 -4.90 117.46 125.08 1fa4 n PHE 76 Ca 0.48 0.54 -0.29 0.00 1.01 0.00 0.00 57.45 59.19 1fa4 n PHE 76 Cb 0.46 -1.50 0.12 0.00 -0.01 0.00 0.00 39.48 38.55 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 -0.84 1.46 -0.01 -1.08 0.04 -1.26 -4.41 135.00 128.89 1fa4 s PRO 77 Ca 0.50 0.35 0.05 0.00 0.04 0.00 0.00 61.00 61.94 1fa4 s PRO 77 Cb -0.55 -1.87 0.16 0.00 0.04 0.00 0.00 34.50 32.29 1fa4 s PRO 77 CO 0.53 -1.99 1.07 0.00 0.04 0.00 0.00 177.00 176.65 1fa4 n ALA 78 N -3.63 2.54 -0.04 8.56 0.00 -1.26 -1.93 120.51 124.74 1fa4 n ALA 78 Ca 0.07 -0.34 0.02 0.00 0.00 0.00 0.00 53.44 53.19 1fa4 n ALA 78 Cb 0.59 -0.99 -0.16 0.00 0.00 0.00 0.00 19.45 18.88 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 0.04 0.04 -3.83 0.00 -0.08 -1.26 -4.73 116.55 106.72 1fa4 n ASP 79 Ca 0.06 0.02 -0.29 0.00 -1.51 0.00 0.00 54.79 53.06 1fa4 n ASP 79 Cb 0.21 1.50 -0.15 0.00 2.34 0.00 0.00 41.12 45.02 1fa4 n ASP 79 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1fa4 n ALA 80 N -2.47 0.49 -1.58 -1.67 0.00 -1.22 -4.85 120.51 109.23 1fa4 n ALA 80 Ca -0.16 -0.40 -0.15 0.00 0.00 0.00 0.00 53.44 52.73 1fa4 n ALA 80 Cb 0.82 -1.97 0.15 0.00 0.00 0.00 0.00 19.45 18.45 1fa4 n ALA 80 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1fa4 n PRO 81 N 6.37 -1.15 -2.22 0.00 -0.04 -1.26 -4.16 135.00 132.54 1fa4 n PRO 81 Ca 0.57 -1.44 -0.42 0.00 -0.04 0.00 0.00 63.50 62.17 1fa4 n PRO 81 Cb 0.06 -1.01 -0.03 0.00 -0.04 0.00 0.00 33.50 32.48 1fa4 n PRO 81 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1fa4 s ALA 82 N -3.85 3.57 0.00 0.55 0.00 -1.24 -4.70 121.76 116.09 1fa4 s ALA 82 Ca 0.53 0.97 0.00 0.00 0.00 0.00 0.00 51.96 53.46 1fa4 s ALA 82 Cb -0.02 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1fa4 s ALA 82 CO 0.38 -0.76 0.00 0.41 0.00 0.00 0.00 175.76 175.79 1fa4 n GLY 83 N 3.56 2.79 3.62 0.00 0.00 -1.16 -4.73 105.19 109.26 1fa4 n GLY 83 Ca 0.12 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.58 3.99 0.26 1.61 2.02 -1.26 -3.72 118.70 120.02 1fa4 s GLU 84 Ca 0.00 0.70 -0.06 0.00 0.02 0.00 0.00 54.97 55.64 1fa4 s GLU 84 Cb 0.00 -3.73 -0.06 0.00 0.10 0.00 0.00 34.13 30.45 1fa4 s GLU 84 CO 0.00 -0.73 0.53 0.71 0.02 0.00 0.00 175.26 175.79 1fa4 s TYR 85 N 3.11 3.47 -0.12 1.61 1.51 -0.69 -4.80 117.35 121.44 1fa4 s TYR 85 Ca 0.35 0.66 -0.03 0.00 -1.01 0.00 0.00 57.07 57.04 1fa4 s TYR 85 Cb -0.14 -2.11 0.05 0.00 -0.11 0.00 0.00 41.96 39.65 1fa4 s TYR 85 CO 0.13 0.22 0.06 0.99 -1.11 0.00 0.00 175.55 175.85 1fa4 s THR 86 N -1.99 0.03 0.17 -0.71 2.01 -1.26 -2.07 115.64 111.82 1fa4 s THR 86 Ca 0.44 0.01 0.06 0.00 0.31 0.00 0.00 61.69 62.51 1fa4 s THR 86 Cb -0.11 -0.49 -0.04 0.00 0.01 0.00 0.00 72.50 71.87 1fa4 s THR 86 CO 0.28 -0.06 0.07 0.72 -0.69 0.00 0.00 174.62 174.93 1fa4 s PHE 87 N 2.10 2.99 0.00 4.92 -0.71 -0.95 -3.83 117.98 122.50 1fa4 s PHE 87 Ca 0.03 -0.08 0.00 0.00 -1.04 0.00 0.00 56.93 55.84 1fa4 s PHE 87 Cb -0.14 -1.44 0.00 0.00 -1.21 0.00 0.00 43.02 40.22 1fa4 s PHE 87 CO -0.07 0.52 0.00 2.48 -1.34 0.00 0.00 175.22 176.81 1fa4 n TYR 88 N -0.23 0.00 -4.34 3.49 4.11 -1.24 -0.55 117.16 118.41 1fa4 n TYR 88 Ca -0.09 0.00 -0.18 0.00 -0.00 0.00 0.00 57.90 57.63 1fa4 n TYR 88 Cb 0.55 0.00 -0.15 0.00 -0.00 0.00 0.00 39.34 39.74 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 6.03 0.42 0.03 0.00 4.81 -1.95 -2.28 114.58 121.63 1fa4 h GLU 90 Ca -0.31 -0.67 -0.11 0.00 -0.13 0.00 0.00 59.36 58.13 1fa4 h GLU 90 Cb 1.18 0.24 0.01 0.00 0.63 0.00 0.00 28.75 30.81 1fa4 h GLU 90 CO 0.50 1.31 -0.46 -1.00 -0.73 0.00 0.00 179.01 178.63 1fa4 h PRO 91 N -0.12 0.26 -0.91 0.92 0.13 -1.92 -3.31 132.00 127.06 1fa4 h PRO 91 Ca -0.18 -0.32 -0.53 0.00 -0.87 0.00 0.00 66.00 64.10 1fa4 h PRO 91 Cb 1.81 0.10 -0.28 0.00 0.13 0.00 0.00 31.00 32.76 1fa4 h PRO 91 CO 0.20 1.05 0.58 0.72 -0.23 0.00 0.00 178.00 180.32 1fa4 n HIS 92 N -4.34 2.88 -0.30 1.56 8.25 -1.26 -4.65 115.22 117.36 1fa4 n HIS 92 Ca -0.11 -2.19 0.19 0.00 -0.26 0.00 0.00 57.72 55.35 1fa4 n HIS 92 Cb 0.62 -1.02 0.46 0.00 1.12 0.00 0.00 29.99 31.16 1fa4 n HIS 92 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1fa4 h ARG 93 N 1.34 0.49 -1.21 -0.41 2.43 -1.50 0.23 114.38 115.75 1fa4 h ARG 93 Ca 0.57 -0.03 -0.56 0.00 -0.81 0.00 0.00 59.98 59.16 1fa4 h ARG 93 Cb 2.08 -0.11 -0.24 0.00 -0.42 0.00 0.00 29.97 31.28 1fa4 h ARG 93 CO 1.16 0.32 0.72 0.41 -1.51 0.00 0.00 179.97 181.07 1fa4 n GLY 94 N -1.45 5.24 1.68 2.80 0.00 -1.26 -4.26 105.19 107.94 1fa4 n GLY 94 Ca 0.23 -1.89 0.01 0.00 0.00 0.00 0.00 46.02 44.36 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 -0.46 2.97 -1.91 4.61 0.00 0.81 -4.95 120.51 121.58 1fa4 n ALA 95 Ca 0.51 -2.80 -0.19 0.00 0.00 0.00 0.00 53.44 50.97 1fa4 n ALA 95 Cb 0.62 -0.65 -0.05 0.00 0.00 0.00 0.00 19.45 19.38 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 -0.22 0.86 2.94 0.00 0.00 -1.26 -4.27 105.19 103.23 1fa4 n GLY 96 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.55 3.45 -3.90 1.61 2.81 -1.24 -4.00 117.12 113.30 1fa4 n MET 97 Ca -0.21 -3.40 -0.18 0.00 -1.81 0.00 0.00 57.70 52.11 1fa4 n MET 97 Cb 0.64 -3.02 -0.16 0.00 -0.71 0.00 0.00 33.22 29.97 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 1.12 0.18 0.24 2.03 1.01 -1.26 -2.53 120.40 121.20 1fa4 s VAL 98 Ca 0.42 0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.52 1fa4 s VAL 98 Cb 0.09 -0.30 -0.00 0.00 0.00 0.00 0.00 36.38 36.17 1fa4 s VAL 98 CO -0.01 0.16 0.03 0.61 0.00 0.00 0.00 175.10 175.89 1fa4 n GLY 99 N 4.34 3.81 3.60 4.51 0.00 0.29 -4.67 105.19 117.07 1fa4 n GLY 99 Ca -0.22 -2.20 -0.02 0.00 0.00 0.00 0.00 46.02 43.58 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 -2.87 0.54 -0.23 1.61 1.02 -1.20 -2.25 119.74 116.36 1fa4 s LYS 100 Ca 0.04 1.24 -0.22 0.00 0.02 0.00 0.00 55.97 57.05 1fa4 s LYS 100 Cb 0.00 0.63 -0.02 0.00 -0.52 0.00 0.00 37.83 37.92 1fa4 s LYS 100 CO 0.03 -0.17 0.69 0.42 -0.92 0.00 0.00 175.35 175.39 1fa4 s ILE 101 N 2.52 4.96 -0.52 2.17 1.01 -0.88 -0.70 121.20 129.76 1fa4 s ILE 101 Ca -0.06 1.27 -0.15 0.00 0.00 0.00 0.00 60.65 61.71 1fa4 s ILE 101 Cb -0.09 -3.99 0.11 0.00 0.01 0.00 0.00 42.46 38.50 1fa4 s ILE 101 CO -0.19 0.03 0.46 -0.89 0.00 0.00 0.00 174.94 174.35 1fa4 s THR 102 N 2.38 5.13 -0.33 2.92 2.01 0.49 -1.71 115.64 126.53 1fa4 s THR 102 Ca 0.30 -1.41 -0.13 0.00 0.31 0.00 0.00 61.69 60.76 1fa4 s THR 102 Cb -0.16 -4.23 -0.02 0.00 0.01 0.00 0.00 72.50 68.10 1fa4 s THR 102 CO 0.09 -0.78 0.24 -0.69 -0.69 0.00 0.00 174.62 172.79 1fa4 s VAL 103 N 1.59 5.28 0.39 3.82 1.01 -1.24 -0.99 120.40 130.26 1fa4 s VAL 103 Ca 0.03 -0.10 -0.07 0.00 0.00 0.00 0.00 61.98 61.85 1fa4 s VAL 103 Cb -0.28 -3.68 0.10 0.00 0.00 0.00 0.00 36.38 32.52 1fa4 s VAL 103 CO 0.04 0.05 0.28 0.00 0.00 0.00 0.00 175.10 175.46 1fa4 n ALA 104 N 5.12 -1.27 0.00 5.51 0.00 -1.24 -3.00 120.51 125.64 1fa4 n ALA 104 Ca -0.13 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.86 1fa4 n ALA 104 Cb 0.50 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.92 1fa4 n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91