#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a50 n GLY 0 N 0.00 1.85 3.70 -1.39 0.00 -1.26 -4.64 105.19 103.44 2a50 n GLY 0 Ca 0.00 -0.15 -0.08 0.00 0.00 0.00 0.00 46.02 45.79 2a50 n GLY 0 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2a50 s SER 1 N 0.00 -0.36 0.63 1.61 1.04 -1.26 -5.04 113.70 110.33 2a50 s SER 1 Ca 0.00 -0.37 0.41 0.00 0.48 0.00 0.00 55.95 56.46 2a50 s SER 1 Cb 0.00 0.66 2.14 0.00 0.10 0.00 0.00 66.02 68.92 2a50 s SER 1 CO 0.00 -1.16 2.28 0.00 0.98 0.00 0.00 173.24 175.34 2a50 h ALA 2 N 2.00 1.06 0.00 5.32 0.00 -1.97 -2.00 119.26 123.68 2a50 h ALA 2 Ca -0.24 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2a50 h ALA 2 Cb 1.27 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2a50 h ALA 2 CO 0.28 0.01 0.06 0.77 0.00 0.00 0.00 179.25 180.38 2a50 h SER 3 N 0.00 0.00 -0.20 0.00 0.02 -1.96 -2.07 113.55 109.34 2a50 h SER 3 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2a50 h SER 3 Cb 0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.65 2a50 h SER 3 CO 0.00 0.00 0.00 0.49 -1.14 0.00 0.00 176.83 176.18 2a50 n PHE 4 N -2.66 0.24 -3.71 3.45 3.01 -0.75 -4.96 117.46 112.08 2a50 n PHE 4 Ca -0.02 -0.16 -0.33 0.00 1.01 0.00 0.00 57.45 57.94 2a50 n PHE 4 Cb 0.11 -0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.53 2a50 n PHE 4 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2a50 s LEU 5 N -1.31 4.34 0.13 4.37 1.43 -0.78 -5.05 118.68 121.80 2a50 s LEU 5 Ca 0.26 0.60 -0.31 0.00 -1.03 0.00 0.00 54.13 53.65 2a50 s LEU 5 Cb 0.16 -2.95 -0.10 0.00 0.03 0.00 0.00 46.19 43.34 2a50 s LEU 5 CO 0.23 0.17 1.69 -0.54 0.23 0.00 0.00 176.35 178.13 2a50 s LYS 6 N -2.10 4.17 -0.02 1.70 1.02 -1.26 -4.91 119.74 118.34 2a50 s LYS 6 Ca 0.33 2.45 -0.21 0.00 0.02 0.00 0.00 55.97 58.56 2a50 s LYS 6 Cb -0.13 -3.40 -0.24 0.00 -0.52 0.00 0.00 37.83 33.54 2a50 s LYS 6 CO 0.20 -0.73 1.05 -0.22 -0.92 0.00 0.00 175.35 174.73 2a50 h LYS 7 N 7.76 0.33 -5.04 1.68 3.64 -1.95 -3.43 116.57 119.56 2a50 h LYS 7 Ca -0.44 -0.37 -0.34 0.00 -1.27 0.00 0.00 60.65 58.24 2a50 h LYS 7 Cb 1.21 0.11 -0.18 0.00 -0.41 0.00 0.00 32.23 32.96 2a50 h LYS 7 CO 0.93 1.07 -0.74 0.95 -2.27 0.00 0.00 179.45 179.39 2a50 s THR 8 N -3.09 1.00 -0.02 1.00 -4.23 -1.26 -4.01 115.64 105.04 2a50 s THR 8 Ca -0.14 -1.64 -0.00 0.00 -1.18 0.00 0.00 61.69 58.73 2a50 s THR 8 Cb 0.02 -1.37 0.02 0.00 1.34 0.00 0.00 72.50 72.52 2a50 s THR 8 CO 0.80 -0.52 0.03 -0.32 -0.54 0.00 0.00 174.62 174.06 2a50 s MET 9 N -2.73 -0.02 0.58 3.99 1.75 -0.03 -4.96 119.30 117.88 2a50 s MET 9 Ca 0.06 0.14 -0.07 0.00 -1.25 0.00 0.00 55.69 54.57 2a50 s MET 9 Cb -0.03 -0.18 -0.01 0.00 2.84 0.00 0.00 34.83 37.45 2a50 s MET 9 CO 0.01 -0.12 0.90 -1.25 -0.65 0.00 0.00 175.02 173.90 2a50 s PRO 10 N 0.78 3.12 0.08 4.11 0.04 -1.26 -1.53 135.00 140.35 2a50 s PRO 10 Ca -0.07 0.15 -0.09 0.00 0.04 0.00 0.00 61.00 61.04 2a50 s PRO 10 Cb -0.09 -2.26 -0.00 0.00 0.04 0.00 0.00 34.50 32.19 2a50 s PRO 10 CO -0.02 -0.60 0.19 -0.59 0.04 0.00 0.00 177.00 176.01 2a50 s PHE 11 N -2.98 0.15 0.03 0.56 -0.12 -0.29 -4.94 117.98 110.40 2a50 s PHE 11 Ca 0.53 -0.57 0.02 0.00 -0.05 0.00 0.00 56.93 56.86 2a50 s PHE 11 Cb -0.11 -0.06 -0.02 0.00 -0.63 0.00 0.00 43.02 42.20 2a50 s PHE 11 CO 0.46 -0.53 -0.08 0.15 -0.05 0.00 0.00 175.22 175.17 2a50 s LYS 12 N -3.78 0.56 0.07 1.99 1.02 -1.26 -1.22 119.74 117.11 2a50 s LYS 12 Ca 0.04 -0.64 0.02 0.00 0.02 0.00 0.00 55.97 55.41 2a50 s LYS 12 Cb 0.05 -0.40 -0.03 0.00 -0.52 0.00 0.00 37.83 36.92 2a50 s LYS 12 CO -0.11 0.09 -0.07 -0.08 -0.92 0.00 0.00 175.35 174.26 2a50 s THR 13 N -1.05 0.57 -0.04 2.17 -1.32 -0.23 -4.97 115.64 110.77 2a50 s THR 13 Ca -0.06 -1.48 0.03 0.00 -1.21 0.00 0.00 61.69 58.97 2a50 s THR 13 Cb -0.08 -1.11 0.00 0.00 -1.51 0.00 0.00 72.50 69.81 2a50 s THR 13 CO 0.00 -0.63 -0.12 0.42 -2.21 0.00 0.00 174.62 172.08 2a50 s THR 14 N -2.49 1.05 -0.05 5.08 -4.23 -1.26 -1.44 115.64 112.30 2a50 s THR 14 Ca 0.00 -0.49 0.03 0.00 -1.18 0.00 0.00 61.69 60.05 2a50 s THR 14 Cb -0.02 -0.93 0.01 0.00 1.34 0.00 0.00 72.50 72.89 2a50 s THR 14 CO -0.02 0.32 -0.12 -0.63 -0.54 0.00 0.00 174.62 173.62 2a50 s ILE 15 N 0.26 1.10 -0.02 2.99 1.01 -0.24 -4.99 121.20 121.31 2a50 s ILE 15 Ca -0.06 -0.49 0.02 0.00 0.00 0.00 0.00 60.65 60.12 2a50 s ILE 15 Cb -0.11 -0.99 0.00 0.00 0.01 0.00 0.00 42.46 41.37 2a50 s ILE 15 CO 0.02 0.34 -0.05 -0.70 0.00 0.00 0.00 174.94 174.54 2a50 s GLU 16 N 0.46 0.57 0.14 2.79 2.12 -1.26 -0.33 118.70 123.19 2a50 s GLU 16 Ca -0.10 -0.17 -0.25 0.00 0.36 0.00 0.00 54.97 54.81 2a50 s GLU 16 Cb -0.14 -0.57 0.07 0.00 0.26 0.00 0.00 34.13 33.75 2a50 s GLU 16 CO 0.03 0.06 0.93 0.20 -0.54 0.00 0.00 175.26 175.93 2a50 s GLY 17 N 0.21 -0.26 0.01 -1.50 0.00 -0.64 -5.02 107.32 100.14 2a50 s GLY 17 Ca -0.02 0.20 0.06 0.00 0.00 0.00 0.00 44.72 44.96 2a50 s GLY 17 CO -0.00 0.04 -0.18 -0.51 0.00 0.00 0.00 173.10 172.45 2a50 s THR 18 N -3.32 1.41 -0.07 0.90 -4.23 -1.26 -0.89 115.64 108.19 2a50 s THR 18 Ca 0.11 -0.94 -0.02 0.00 -1.18 0.00 0.00 61.69 59.67 2a50 s THR 18 Cb -0.02 -1.21 0.03 0.00 1.34 0.00 0.00 72.50 72.64 2a50 s THR 18 CO 0.01 0.26 0.02 -0.69 -0.54 0.00 0.00 174.62 173.67 2a50 s VAL 19 N -0.62 0.28 -1.49 2.29 1.01 -0.23 -4.83 120.40 116.81 2a50 s VAL 19 Ca 0.06 0.14 -0.12 0.00 0.00 0.00 0.00 61.98 62.05 2a50 s VAL 19 Cb -0.08 -0.49 0.08 0.00 0.00 0.00 0.00 36.38 35.89 2a50 s VAL 19 CO 0.00 0.21 0.85 0.59 0.00 0.00 0.00 175.10 176.76 2a50 n ASN 20 N 5.17 -4.75 0.00 3.32 4.13 -1.26 -0.97 115.26 120.91 2a50 n ASN 20 Ca -0.06 -0.66 0.00 0.00 1.68 0.00 0.00 54.58 55.54 2a50 n ASN 20 Cb 0.50 -3.81 0.00 0.00 -1.54 0.00 0.00 39.78 34.92 2a50 n ASN 20 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2a50 n GLY 21 N -1.57 1.68 3.57 7.41 0.00 -1.26 -5.02 105.19 110.00 2a50 n GLY 21 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 2a50 n GLY 21 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2a50 s HIS 22 N -2.78 3.20 0.27 1.61 5.04 -0.14 -5.06 115.29 117.43 2a50 s HIS 22 Ca 0.00 0.27 -0.29 0.00 -1.54 0.00 0.00 55.06 53.50 2a50 s HIS 22 Cb 0.00 -2.83 -0.09 0.00 0.04 0.00 0.00 32.58 29.70 2a50 s HIS 22 CO 0.00 -0.45 0.95 -0.47 -2.34 0.00 0.00 174.74 172.43 2a50 s TYR 23 N 2.31 3.87 0.12 3.88 5.04 -1.26 -1.07 117.35 130.24 2a50 s TYR 23 Ca 0.18 1.86 -0.14 0.00 -2.44 0.00 0.00 57.07 56.54 2a50 s TYR 23 Cb -0.16 -2.99 0.02 0.00 0.35 0.00 0.00 41.96 39.19 2a50 s TYR 23 CO 0.12 0.31 0.34 -0.59 -1.34 0.00 0.00 175.55 174.39 2a50 s PHE 24 N -1.31 -0.07 -0.00 4.97 -0.12 -0.07 -4.25 117.98 117.13 2a50 s PHE 24 Ca 0.44 -0.28 0.00 0.00 -0.05 0.00 0.00 56.93 57.04 2a50 s PHE 24 Cb -0.24 0.16 0.00 0.00 -0.63 0.00 0.00 43.02 42.31 2a50 s PHE 24 CO 0.30 -0.67 -0.01 0.21 -0.05 0.00 0.00 175.22 175.01 2a50 s LYS 25 N -3.83 0.05 0.12 1.99 2.20 -0.35 -1.61 119.74 118.32 2a50 s LYS 25 Ca 0.04 -0.02 0.05 0.00 -0.36 0.00 0.00 55.97 55.69 2a50 s LYS 25 Cb 0.03 -0.06 -0.04 0.00 -1.51 0.00 0.00 37.83 36.24 2a50 s LYS 25 CO -0.11 0.01 -0.12 0.00 -0.36 0.00 0.00 175.35 174.77 2a50 s THR 27 N -2.59 1.92 0.12 0.00 -4.23 -0.39 -1.08 115.64 109.39 2a50 s THR 27 Ca 0.10 -2.24 -0.21 0.00 -1.18 0.00 0.00 61.69 58.16 2a50 s THR 27 Cb -0.02 -2.21 0.06 0.00 1.34 0.00 0.00 72.50 71.67 2a50 s THR 27 CO 0.02 -0.47 0.53 -0.83 -0.54 0.00 0.00 174.62 173.32 2a50 s GLY 28 N -3.40 -0.48 -0.10 3.99 0.00 -0.52 -0.30 107.32 106.51 2a50 s GLY 28 Ca 0.26 0.38 -0.08 0.00 0.00 0.00 0.00 44.72 45.28 2a50 s GLY 28 CO 0.10 0.08 0.25 1.25 0.00 0.00 0.00 173.10 174.78 2a50 s LYS 29 N -3.42 0.28 0.18 2.90 2.20 -0.62 -1.06 119.74 120.19 2a50 s LYS 29 Ca -0.00 0.39 -0.05 0.00 -0.36 0.00 0.00 55.97 55.95 2a50 s LYS 29 Cb -0.00 0.09 0.02 0.00 -1.51 0.00 0.00 37.83 36.43 2a50 s LYS 29 CO -0.10 -0.06 0.33 0.41 -0.36 0.00 0.00 175.35 175.57 2a50 n GLY 30 N 3.23 1.90 3.32 5.54 0.00 -0.36 -1.02 105.19 117.79 2a50 n GLY 30 Ca -0.15 -1.25 -0.14 0.00 0.00 0.00 0.00 46.02 44.47 2a50 n GLY 30 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2a50 s GLU 31 N -2.16 0.80 0.32 1.61 2.12 -0.73 -1.13 118.70 119.52 2a50 s GLU 31 Ca 0.10 -0.10 -0.05 0.00 0.36 0.00 0.00 54.97 55.27 2a50 s GLU 31 Cb -0.02 0.36 0.00 0.00 0.26 0.00 0.00 34.13 34.73 2a50 s GLU 31 CO 0.07 -0.24 0.47 0.20 -0.54 0.00 0.00 175.26 175.22 2a50 s GLY 32 N -1.38 1.25 -0.39 -1.50 0.00 -0.58 -1.58 107.32 103.14 2a50 s GLY 32 Ca -0.12 -1.37 -0.06 0.00 0.00 0.00 0.00 44.72 43.17 2a50 s GLY 32 CO 0.05 -0.92 0.19 0.21 0.00 0.00 0.00 173.10 172.63 2a50 s ASN 33 N -3.18 5.39 0.23 1.64 3.04 0.48 -0.85 114.94 121.69 2a50 s ASN 33 Ca 0.29 -1.59 -0.07 0.00 0.04 0.00 0.00 52.86 51.54 2a50 s ASN 33 Cb -0.00 -1.89 0.30 0.00 -1.54 0.00 0.00 41.25 38.12 2a50 s ASN 33 CO 0.17 -0.48 1.84 -0.65 -3.04 0.00 0.00 177.10 174.95 2a50 h PRO 34 N 8.23 0.89 0.00 0.43 0.11 -1.83 -0.50 132.00 139.33 2a50 h PRO 34 Ca -0.20 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.79 2a50 h PRO 34 Cb 1.07 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.97 2a50 h PRO 34 CO 0.69 0.59 -1.02 0.74 -0.21 0.00 0.00 178.00 178.79 2a50 h PHE 35 N 0.91 0.00 0.00 0.65 -1.00 -1.86 -3.27 116.94 112.37 2a50 h PHE 35 Ca 0.35 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.13 2a50 h PHE 35 Cb 0.15 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.71 2a50 h PHE 35 CO -0.04 0.24 -0.27 0.39 -1.61 0.00 0.00 178.31 177.02 2a50 n GLU 36 N -2.83 0.08 -2.34 1.51 1.02 -1.11 -4.96 120.64 112.01 2a50 n GLU 36 Ca -0.03 0.04 -0.09 0.00 -0.02 0.00 0.00 57.16 57.06 2a50 n GLU 36 Cb 0.67 -1.57 0.00 0.00 -0.02 0.00 0.00 31.44 30.52 2a50 n GLU 36 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2a50 n GLY 37 N 1.45 0.06 3.32 0.62 0.00 -0.21 -5.04 105.19 105.39 2a50 n GLY 37 Ca 0.06 -0.46 -0.26 0.00 0.00 0.00 0.00 46.02 45.36 2a50 n GLY 37 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2a50 s THR 38 N -2.59 1.92 0.04 2.61 -4.23 -1.17 -5.00 115.64 107.21 2a50 s THR 38 Ca 0.05 -1.60 -0.27 0.00 -1.18 0.00 0.00 61.69 58.70 2a50 s THR 38 Cb -0.02 -1.72 0.09 0.00 1.34 0.00 0.00 72.50 72.19 2a50 s THR 38 CO 0.06 0.02 0.75 0.00 -0.54 0.00 0.00 174.62 174.91 2a50 s GLN 39 N -1.90 1.02 -0.06 3.99 -2.07 -1.26 -0.39 119.66 118.99 2a50 s GLN 39 Ca 0.09 -0.25 -0.12 0.00 -1.82 0.00 0.00 55.36 53.26 2a50 s GLN 39 Cb -0.10 0.47 0.02 0.00 -1.09 0.00 0.00 33.01 32.32 2a50 s GLN 39 CO 0.05 -0.42 0.29 -2.00 -1.32 0.00 0.00 175.29 171.88 2a50 s GLU 40 N -2.92 0.51 0.07 9.60 2.12 -0.61 -4.99 118.70 122.48 2a50 s GLU 40 Ca 0.00 0.07 -0.06 0.00 0.36 0.00 0.00 54.97 55.34 2a50 s GLU 40 Cb -0.01 0.23 -0.01 0.00 0.26 0.00 0.00 34.13 34.60 2a50 s GLU 40 CO -0.07 -0.11 0.12 0.00 -0.54 0.00 0.00 175.26 174.66 2a50 s MET 41 N -0.65 0.76 -0.15 4.30 0.23 -1.26 -1.78 119.30 120.75 2a50 s MET 41 Ca -0.07 -1.02 -0.03 0.00 -1.03 0.00 0.00 55.69 53.53 2a50 s MET 41 Cb -0.04 0.30 -0.02 0.00 -1.53 0.00 0.00 34.83 33.53 2a50 s MET 41 CO 0.02 -0.21 -0.05 0.21 -2.03 0.00 0.00 175.02 172.96 2a50 s LYS 42 N -3.81 3.61 -0.12 3.16 2.20 -0.19 -4.97 119.74 119.62 2a50 s LYS 42 Ca 0.05 -0.55 0.01 0.00 -0.36 0.00 0.00 55.97 55.11 2a50 s LYS 42 Cb 0.05 -2.87 -0.02 0.00 -1.51 0.00 0.00 37.83 33.49 2a50 s LYS 42 CO -0.10 0.22 -0.14 0.42 -0.36 0.00 0.00 175.35 175.39 2a50 s ILE 43 N 0.41 3.01 -0.12 5.43 1.09 -1.26 -1.59 121.20 128.17 2a50 s ILE 43 Ca -0.05 -0.69 0.02 0.00 -1.10 0.00 0.00 60.65 58.84 2a50 s ILE 43 Cb -0.15 -2.25 -0.00 0.00 -1.06 0.00 0.00 42.46 39.01 2a50 s ILE 43 CO 0.03 0.53 -0.20 -1.61 -0.10 0.00 0.00 174.94 173.60 2a50 s GLU 44 N 0.20 3.16 -0.28 2.79 2.02 0.59 -5.00 118.70 122.18 2a50 s GLU 44 Ca -0.08 -0.81 -0.27 0.00 0.02 0.00 0.00 54.97 53.83 2a50 s GLU 44 Cb -0.15 -2.45 0.01 0.00 0.10 0.00 0.00 34.13 31.63 2a50 s GLU 44 CO 0.05 0.14 0.94 0.08 0.02 0.00 0.00 175.26 176.49 2a50 s VAL 45 N 0.48 4.70 -0.05 2.63 1.01 -1.26 -1.26 120.40 126.65 2a50 s VAL 45 Ca -0.13 1.63 0.15 0.00 0.00 0.00 0.00 61.98 63.63 2a50 s VAL 45 Cb -0.17 -4.25 -0.23 0.00 0.00 0.00 0.00 36.38 31.73 2a50 s VAL 45 CO 0.05 -0.26 0.35 2.30 0.00 0.00 0.00 175.10 177.54 2a50 n ILE 46 N 5.51 0.00 -3.92 2.22 -5.35 0.50 -4.78 119.36 113.54 2a50 n ILE 46 Ca 0.08 -0.34 -0.12 0.00 -0.27 0.00 0.00 62.75 62.10 2a50 n ILE 46 Cb 0.47 0.19 -0.13 0.00 -1.74 0.00 0.00 39.64 38.42 2a50 n ILE 46 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 2a50 s GLU 47 N -3.03 0.10 0.00 6.28 2.02 -0.96 -4.89 118.70 118.22 2a50 s GLU 47 Ca -0.05 -0.13 0.00 0.00 0.02 0.00 0.00 54.97 54.81 2a50 s GLU 47 Cb 0.10 -0.03 0.00 0.00 0.10 0.00 0.00 34.13 34.30 2a50 s GLU 47 CO 0.63 0.00 0.00 0.41 0.02 0.00 0.00 175.26 176.33 2a50 n GLY 48 N 2.79 0.66 3.90 -1.39 0.00 -1.26 -1.21 105.19 108.69 2a50 n GLY 48 Ca -0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.60 2a50 n GLY 48 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2a50 s GLY 49 N -1.96 1.70 0.40 -0.02 0.00 -1.26 -3.96 107.32 102.22 2a50 s GLY 49 Ca 0.00 -0.49 -0.25 0.00 0.00 0.00 0.00 44.72 43.98 2a50 s GLY 49 CO 0.00 -0.35 1.19 2.56 0.00 0.00 0.00 173.10 176.50 2a50 s PRO 50 N -4.10 4.05 0.22 2.90 0.04 -1.26 -5.08 135.00 131.78 2a50 s PRO 50 Ca 0.46 1.88 -0.32 0.00 0.04 0.00 0.00 61.00 63.06 2a50 s PRO 50 Cb -0.10 -2.69 -0.12 0.00 0.04 0.00 0.00 34.50 31.63 2a50 s PRO 50 CO 0.36 -0.34 1.69 1.28 0.04 0.00 0.00 177.00 180.04 2a50 n LEU 51 N 0.09 4.02 -0.43 -3.56 4.77 -1.25 -4.87 117.00 115.76 2a50 n LEU 51 Ca 0.04 1.08 0.03 0.00 -0.03 0.00 0.00 56.01 57.13 2a50 n LEU 51 Cb 0.46 -1.57 0.08 0.00 -2.33 0.00 0.00 43.42 40.06 2a50 n LEU 51 CO 0.51 0.15 0.54 -0.81 -1.33 0.00 0.00 177.39 176.45 2a50 n PRO 52 N 3.62 1.53 -4.16 3.23 -0.04 -1.26 -4.85 135.00 133.07 2a50 n PRO 52 Ca 0.15 -0.69 -0.10 0.00 -0.04 0.00 0.00 63.50 62.82 2a50 n PRO 52 Cb 0.35 -1.24 -0.10 0.00 -0.04 0.00 0.00 33.50 32.46 2a50 n PRO 52 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2a50 s PHE 53 N -1.70 0.87 0.09 0.54 -0.12 -1.26 -5.12 117.98 111.28 2a50 s PHE 53 Ca 0.13 -1.15 -0.31 0.00 -0.05 0.00 0.00 56.93 55.55 2a50 s PHE 53 Cb 0.07 -0.51 -0.09 0.00 -0.63 0.00 0.00 43.02 41.87 2a50 s PHE 53 CO 0.08 -0.42 1.63 0.00 -0.05 0.00 0.00 175.22 176.46 2a50 s ALA 54 N -3.93 3.70 0.55 1.99 0.00 -1.26 -4.88 121.76 117.94 2a50 s ALA 54 Ca 0.20 1.24 0.27 0.00 0.00 0.00 0.00 51.96 53.68 2a50 s ALA 54 Cb 0.07 -3.68 1.45 0.00 0.00 0.00 0.00 23.12 20.97 2a50 s ALA 54 CO -0.00 -1.04 1.97 0.35 0.00 0.00 0.00 175.76 177.04 2a50 h PHE 55 N 8.01 0.00 -0.89 0.00 3.57 -2.00 -2.78 116.94 122.85 2a50 h PHE 55 Ca -0.43 0.00 0.26 0.00 3.53 0.00 0.00 57.97 61.33 2a50 h PHE 55 Cb 1.20 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.91 2a50 h PHE 55 CO 0.75 0.00 0.64 0.45 -2.23 0.00 0.00 178.31 177.92 2a50 h HIS 56 N 0.00 0.01 0.00 0.41 3.86 -2.02 0.32 115.15 117.73 2a50 h HIS 56 Ca 0.26 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.47 2a50 h HIS 56 Cb 1.12 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.59 2a50 h HIS 56 CO 0.00 0.00 0.00 0.44 0.86 0.00 0.00 177.93 179.23 2a50 n ILE 57 N -4.27 0.92 1.01 2.45 -5.35 -1.05 -2.19 119.36 110.88 2a50 n ILE 57 Ca 0.18 0.23 0.11 0.00 -0.27 0.00 0.00 62.75 63.00 2a50 n ILE 57 Cb 0.95 -1.02 -0.01 0.00 -1.74 0.00 0.00 39.64 37.82 2a50 n ILE 57 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 2a50 n LEU 58 N -1.72 1.73 -0.30 7.28 4.77 0.11 -4.68 117.00 124.20 2a50 n LEU 58 Ca 0.03 -0.67 -0.00 0.00 -0.03 0.00 0.00 56.01 55.34 2a50 n LEU 58 Cb 0.20 -0.01 0.13 0.00 -2.33 0.00 0.00 43.42 41.41 2a50 n LEU 58 CO 0.16 0.34 1.19 0.28 -1.33 0.00 0.00 177.39 178.03 2a50 h SER 59 N 1.79 0.83 -0.01 -1.43 0.02 -1.43 -0.89 113.55 112.43 2a50 h SER 59 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2a50 h SER 59 Cb 0.68 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.06 2a50 h SER 59 CO 0.00 0.54 0.00 0.35 -1.14 0.00 0.00 176.83 176.58 2a50 n THR 60 N -4.62 0.01 0.26 -2.27 -2.24 -1.26 -3.68 114.28 100.48 2a50 n THR 60 Ca 0.12 -0.02 0.04 0.00 -2.27 0.00 0.00 64.05 61.92 2a50 n THR 60 Cb 0.15 -0.31 -0.05 0.00 -2.10 0.00 0.00 70.33 68.03 2a50 n THR 60 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2a50 n SER 61 N -0.79 1.16 -0.22 3.42 7.64 -0.35 -5.25 113.62 119.22 2a50 n SER 61 Ca 0.17 -0.49 0.15 0.00 1.01 0.00 0.00 58.87 59.71 2a50 n SER 61 Cb 0.09 1.10 0.75 0.00 -1.01 0.00 0.00 64.21 65.15 2a50 n SER 61 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03