#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b50 n LEU 2 N 0.00 0.00 -0.10 1.04 4.32 -1.26 -5.05 117.00 115.96 1b50 n LEU 2 Ca 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 56.01 55.89 1b50 n LEU 2 Cb 0.00 0.00 -0.14 0.00 -1.62 0.00 0.00 43.42 41.66 1b50 n LEU 2 CO 0.00 0.00 -1.13 0.00 -1.22 0.00 0.00 177.39 175.04 1b50 n ALA 3 N -3.00 1.53 -1.93 -1.18 0.00 -1.26 -4.98 120.51 109.70 1b50 n ALA 3 Ca 0.00 -1.20 -0.29 0.00 0.00 0.00 0.00 53.44 51.95 1b50 n ALA 3 Cb 0.00 -0.13 0.15 0.00 0.00 0.00 0.00 19.45 19.47 1b50 n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1b50 s ALA 4 N -2.45 2.51 -0.52 0.00 0.00 -1.26 -5.00 121.76 115.03 1b50 s ALA 4 Ca -0.12 -1.08 0.14 0.00 0.00 0.00 0.00 51.96 50.89 1b50 s ALA 4 Cb 0.06 -2.76 -0.16 0.00 0.00 0.00 0.00 23.12 20.26 1b50 s ALA 4 CO 0.73 -2.10 0.53 -3.47 0.00 0.00 0.00 175.76 171.45 1b50 n ASP 5 N -3.53 0.86 -1.07 0.00 2.03 -1.26 -5.10 116.55 108.48 1b50 n ASP 5 Ca 0.13 -0.66 0.14 0.00 0.52 0.00 0.00 54.79 54.91 1b50 n ASP 5 Cb 0.60 1.12 -0.05 0.00 -0.72 0.00 0.00 41.12 42.07 1b50 n ASP 5 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1b50 n THR 6 N -1.45 0.00 -1.71 5.18 -2.24 -1.26 -4.90 114.28 107.90 1b50 n THR 6 Ca 0.02 0.29 -0.28 0.00 -2.27 0.00 0.00 64.05 61.81 1b50 n THR 6 Cb 0.24 -0.65 0.20 0.00 -2.10 0.00 0.00 70.33 68.02 1b50 n THR 6 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1b50 n PRO 7 N -3.76 -1.55 -4.06 -0.78 -0.04 -1.26 -5.07 135.00 118.48 1b50 n PRO 7 Ca -0.02 -1.88 -0.31 0.00 -0.04 0.00 0.00 63.50 61.24 1b50 n PRO 7 Cb 0.50 -1.34 -0.16 0.00 -0.04 0.00 0.00 33.50 32.46 1b50 n PRO 7 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1b50 s THR 8 N -3.58 1.77 0.66 0.52 2.01 -1.26 -5.11 115.64 110.65 1b50 s THR 8 Ca 0.70 -0.77 -0.17 0.00 0.31 0.00 0.00 61.69 61.76 1b50 s THR 8 Cb -0.03 -1.64 -0.02 0.00 0.01 0.00 0.00 72.50 70.82 1b50 s THR 8 CO 0.50 0.48 0.96 0.00 -0.69 0.00 0.00 174.62 175.87 1b50 n ALA 9 N 4.71 -0.00 -2.50 7.40 0.00 -1.26 -4.94 120.51 123.92 1b50 n ALA 9 Ca -0.18 -0.08 -0.10 0.00 0.00 0.00 0.00 53.44 53.07 1b50 n ALA 9 Cb 0.50 -2.11 -0.08 0.00 0.00 0.00 0.00 19.45 17.75 1b50 n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1b50 n PHE 12 N 5.41 0.18 -3.56 0.00 3.01 -1.26 -4.56 117.46 116.68 1b50 n PHE 12 Ca -0.04 -0.73 -0.23 0.00 1.01 0.00 0.00 57.45 57.47 1b50 n PHE 12 Cb 0.50 -0.12 -0.15 0.00 -0.01 0.00 0.00 39.48 39.70 1b50 n PHE 12 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 1b50 s SER 13 N -1.79 2.04 0.51 4.37 0.01 -1.26 -5.14 113.70 112.43 1b50 s SER 13 Ca 0.20 -0.50 0.08 0.00 1.31 0.00 0.00 55.95 57.04 1b50 s SER 13 Cb 0.16 -0.02 0.04 0.00 0.21 0.00 0.00 66.02 66.42 1b50 s SER 13 CO 0.04 -0.35 0.60 -0.31 0.41 0.00 0.00 173.24 173.64 1b50 s TYR 14 N 2.21 1.99 -0.21 2.43 2.02 -1.26 -4.40 117.35 120.13 1b50 s TYR 14 Ca 0.04 -0.63 -0.10 0.00 -0.37 0.00 0.00 57.07 56.01 1b50 s TYR 14 Cb -0.16 -2.19 -0.05 0.00 -0.40 0.00 0.00 41.96 39.16 1b50 s TYR 14 CO -0.11 -0.69 0.13 -0.08 -1.57 0.00 0.00 175.55 173.23 1b50 s THR 15 N -2.58 5.34 0.10 -0.71 -1.32 -1.26 -4.93 115.64 110.28 1b50 s THR 15 Ca 0.53 0.17 -0.24 0.00 -1.21 0.00 0.00 61.69 60.94 1b50 s THR 15 Cb -0.06 -3.45 -0.13 0.00 -1.51 0.00 0.00 72.50 67.36 1b50 s THR 15 CO 0.32 0.42 1.71 -1.28 -2.21 0.00 0.00 174.62 173.59 1b50 h SER 16 N 6.87 -0.17 -3.75 8.08 0.87 -1.98 -3.37 113.55 120.09 1b50 h SER 16 Ca -0.40 0.02 -0.64 0.00 -1.23 0.00 0.00 61.79 59.54 1b50 h SER 16 Cb 1.16 0.06 -0.15 0.00 -0.44 0.00 0.00 62.40 63.02 1b50 h SER 16 CO 0.73 -0.10 -0.30 -0.60 -0.53 0.00 0.00 176.83 176.04 1b50 s ARG 17 N -6.17 3.93 0.28 2.24 6.06 -1.26 -5.06 118.95 118.97 1b50 s ARG 17 Ca -0.14 -0.10 -0.03 0.00 -2.50 0.00 0.00 55.73 52.96 1b50 s ARG 17 Cb 0.07 -3.68 0.05 0.00 0.06 0.00 0.00 34.95 31.44 1b50 s ARG 17 CO 0.66 -0.30 0.11 0.00 -2.50 0.00 0.00 175.30 173.27 1b50 n GLN 18 N 5.29 0.05 -3.76 5.12 10.64 -1.26 -4.99 117.38 128.48 1b50 n GLN 18 Ca -0.10 -0.18 -0.27 0.00 -1.83 0.00 0.00 57.00 54.62 1b50 n GLN 18 Cb 0.51 -0.43 -0.17 0.00 -0.86 0.00 0.00 30.24 29.30 1b50 n GLN 18 CO 0.00 0.00 0.00 0.96 -1.83 0.00 0.00 177.06 176.19 1b50 s ILE 19 N -0.91 0.58 0.71 -0.39 -0.00 -1.26 -5.08 121.20 114.86 1b50 s ILE 19 Ca 0.08 -0.49 -0.16 0.00 -0.00 0.00 0.00 60.65 60.08 1b50 s ILE 19 Cb -0.01 -1.01 0.03 0.00 -0.00 0.00 0.00 42.46 41.46 1b50 s ILE 19 CO 0.07 -0.11 1.25 -2.16 -0.00 0.00 0.00 174.94 173.99 1b50 s PRO 20 N 1.84 2.20 0.61 0.37 0.04 -1.26 -4.60 135.00 134.20 1b50 s PRO 20 Ca -0.00 1.92 0.26 0.00 0.04 0.00 0.00 61.00 63.22 1b50 s PRO 20 Cb -0.16 -1.82 1.02 0.00 0.04 0.00 0.00 34.50 33.57 1b50 s PRO 20 CO -0.07 -1.83 1.43 1.96 0.04 0.00 0.00 177.00 178.53 1b50 h GLN 21 N -0.04 0.00 0.22 4.56 4.20 -1.91 0.79 115.11 122.92 1b50 h GLN 21 Ca -0.49 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 57.88 1b50 h GLN 21 Cb 1.32 0.00 0.02 0.00 0.30 0.00 0.00 27.48 29.12 1b50 h GLN 21 CO 0.50 0.00 -1.58 -0.97 -0.67 0.00 0.00 178.83 176.11 1b50 h ASN 22 N 0.00 0.73 0.00 1.46 -1.24 -2.03 -3.23 115.58 111.27 1b50 h ASN 22 Ca 0.40 -0.93 0.00 0.00 0.71 0.00 0.00 56.30 56.48 1b50 h ASN 22 Cb 2.46 -0.24 0.00 0.00 0.73 0.00 0.00 38.32 41.27 1b50 h ASN 22 CO -0.00 1.74 0.00 0.33 -1.29 0.00 0.00 177.43 178.20 1b50 n PHE 23 N -3.69 0.00 -4.60 0.67 7.35 0.27 -4.78 117.46 112.68 1b50 n PHE 23 Ca -0.21 0.00 -0.27 0.00 -0.76 0.00 0.00 57.45 56.21 1b50 n PHE 23 Cb 1.08 0.00 -0.11 0.00 0.35 0.00 0.00 39.48 40.80 1b50 n PHE 23 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 1b50 s ILE 24 N -2.00 1.77 0.00 -2.13 1.01 -0.74 -3.55 121.20 115.56 1b50 s ILE 24 Ca 0.25 -2.00 0.00 0.00 0.00 0.00 0.00 60.65 58.90 1b50 s ILE 24 Cb 0.12 -2.88 0.00 0.00 0.01 0.00 0.00 42.46 39.71 1b50 s ILE 24 CO 0.19 0.00 0.00 0.00 0.00 0.00 0.00 174.94 175.13 1b50 n ALA 25 N -0.95 2.75 -2.29 9.38 0.00 -0.87 -4.76 120.51 123.77 1b50 n ALA 25 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1b50 n ALA 25 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.12 1b50 n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1b50 n ALA 26 N -2.44 0.00 0.00 0.00 0.00 -1.25 -4.35 120.51 112.47 1b50 n ALA 26 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1b50 n ALA 26 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1b50 n ALA 26 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1b50 n TYR 27 N 0.00 0.00 -1.14 0.00 4.11 -1.23 -4.45 117.16 114.45 1b50 n TYR 27 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 57.90 58.00 1b50 n TYR 27 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 39.34 39.32 1b50 n TYR 27 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.86 178.05 1b50 n PHE 28 N 0.00 -2.78 -2.70 -3.48 3.72 -1.26 0.24 117.46 111.21 1b50 n PHE 28 Ca 0.00 0.91 -0.06 0.00 -0.05 0.00 0.00 57.45 58.25 1b50 n PHE 28 Cb 0.00 -1.66 0.10 0.00 -0.94 0.00 0.00 39.48 36.97 1b50 n PHE 28 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 1b50 n GLU 29 N -2.49 1.25 0.00 -1.08 0.28 -1.26 -3.86 120.64 113.48 1b50 n GLU 29 Ca 0.00 -2.11 0.00 0.00 -0.16 0.00 0.00 57.16 54.90 1b50 n GLU 29 Cb 0.33 -0.30 0.00 0.00 1.43 0.00 0.00 31.44 32.91 1b50 n GLU 29 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1b50 n THR 30 N -0.65 0.00 -3.48 3.84 -2.24 -1.26 -4.87 114.28 105.62 1b50 n THR 30 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1b50 n THR 30 Cb 0.85 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.08 1b50 n THR 30 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1b50 n SER 31 N -3.03 0.00 -2.12 3.42 2.88 -1.26 -4.95 113.62 108.56 1b50 n SER 31 Ca 0.00 -0.68 -0.14 0.00 -1.33 0.00 0.00 58.87 56.72 1b50 n SER 31 Cb 0.00 0.00 0.25 0.00 -0.75 0.00 0.00 64.21 63.71 1b50 n SER 31 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1b50 n SER 32 N -1.77 4.40 0.03 -3.46 7.64 -1.26 -4.47 113.62 114.73 1b50 n SER 32 Ca 0.00 -3.39 0.00 0.00 1.01 0.00 0.00 58.87 56.49 1b50 n SER 32 Cb 0.00 -0.79 0.00 0.00 -1.01 0.00 0.00 64.21 62.41 1b50 n SER 32 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1b50 n GLN 33 N -0.58 0.00 -1.18 1.43 1.13 -1.26 -5.07 117.38 111.86 1b50 n GLN 33 Ca 0.49 0.00 -0.29 0.00 -1.94 0.00 0.00 57.00 55.26 1b50 n GLN 33 Cb 1.52 -0.44 0.20 0.00 0.11 0.00 0.00 30.24 31.63 1b50 n GLN 33 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1b50 n SER 35 N -4.34 6.58 -3.10 0.00 3.41 -1.26 -4.85 113.62 110.06 1b50 n SER 35 Ca 0.08 -3.17 -0.33 0.00 -0.26 0.00 0.00 58.87 55.19 1b50 n SER 35 Cb 0.58 -1.25 -0.02 0.00 -0.26 0.00 0.00 64.21 63.26 1b50 n SER 35 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1b50 n LYS 36 N 1.04 0.00 -0.04 4.33 2.85 -1.26 -4.87 118.16 120.20 1b50 n LYS 36 Ca 0.50 0.00 -0.17 0.00 -1.05 0.00 0.00 58.31 57.59 1b50 n LYS 36 Cb 0.54 -0.71 -0.13 0.00 -0.65 0.00 0.00 35.03 34.08 1b50 n LYS 36 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 177.40 176.35 1b50 h PRO 37 N 0.59 0.08 0.00 -1.58 0.13 -1.83 -3.48 132.00 125.92 1b50 h PRO 37 Ca -0.21 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1b50 h PRO 37 Cb 1.02 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1b50 h PRO 37 CO 0.39 1.07 0.00 0.41 -0.23 0.00 0.00 178.00 179.63 1b50 n GLY 38 N 1.61 0.03 0.00 1.56 0.00 0.38 0.96 105.19 109.73 1b50 n GLY 38 Ca -0.15 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1b50 n GLY 38 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1b50 n VAL 39 N 0.00 0.00 -2.12 1.61 0.31 -0.85 -4.81 118.33 112.47 1b50 n VAL 39 Ca 0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 64.05 1b50 n VAL 39 Cb 0.00 0.00 0.14 0.00 -0.91 0.00 0.00 33.84 33.07 1b50 n VAL 39 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1b50 s ILE 40 N -0.55 2.07 0.11 2.52 1.01 0.14 0.16 121.20 126.65 1b50 s ILE 40 Ca 0.00 -0.18 -0.12 0.00 0.00 0.00 0.00 60.65 60.36 1b50 s ILE 40 Cb 0.00 -2.89 0.01 0.00 0.01 0.00 0.00 42.46 39.59 1b50 s ILE 40 CO 0.00 0.00 0.29 -0.36 0.00 0.00 0.00 174.94 174.87 1b50 s PHE 41 N -3.60 0.02 -0.63 3.97 0.08 -1.26 -3.52 117.98 113.05 1b50 s PHE 41 Ca 0.69 -0.39 0.05 0.00 0.12 0.00 0.00 56.93 57.40 1b50 s PHE 41 Cb -0.06 0.08 0.19 0.00 -0.57 0.00 0.00 43.02 42.66 1b50 s PHE 41 CO 0.49 -0.63 0.52 1.28 -0.10 0.00 0.00 175.22 176.78 1b50 n LEU 42 N -0.15 2.39 0.00 -0.37 4.77 -1.26 -2.77 117.00 119.61 1b50 n LEU 42 Ca -0.15 -5.08 -0.12 0.00 -0.03 0.00 0.00 56.01 50.63 1b50 n LEU 42 Cb 0.63 -0.43 0.12 0.00 -2.33 0.00 0.00 43.42 41.40 1b50 n LEU 42 CO 0.20 1.85 0.13 0.35 -1.33 0.00 0.00 177.39 178.59 1b50 n THR 43 N 1.88 0.00 0.13 -5.08 -2.24 -1.26 -2.06 114.28 105.65 1b50 n THR 43 Ca 0.24 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 62.08 1b50 n THR 43 Cb 0.39 -0.38 0.24 0.00 -2.10 0.00 0.00 70.33 68.48 1b50 n THR 43 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1b50 n LYS 44 N -1.16 2.80 -0.15 -0.78 4.76 -1.23 -3.72 118.16 118.68 1b50 n LYS 44 Ca 0.05 -1.87 0.06 0.00 -2.87 0.00 0.00 58.31 53.68 1b50 n LYS 44 Cb 0.23 -1.68 0.08 0.00 -1.84 0.00 0.00 35.03 31.83 1b50 n LYS 44 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1b50 n ARG 45 N 0.66 1.18 -2.02 1.97 0.00 -1.26 -4.95 116.66 112.24 1b50 n ARG 45 Ca 0.17 -1.97 -0.19 0.00 -0.00 0.00 0.00 57.85 55.86 1b50 n ARG 45 Cb 0.63 -1.16 -0.04 0.00 0.00 0.00 0.00 32.46 31.89 1b50 n ARG 45 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1b50 n SER 46 N -0.91 -5.24 0.08 6.15 3.41 -1.24 -4.83 113.62 111.03 1b50 n SER 46 Ca 0.09 0.23 -0.18 0.00 -0.26 0.00 0.00 58.87 58.75 1b50 n SER 46 Cb 0.59 -4.51 -0.14 0.00 -0.26 0.00 0.00 64.21 59.89 1b50 n SER 46 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1b50 h ARG 47 N 0.00 0.29 -3.97 4.33 2.43 -1.93 -3.49 114.38 112.05 1b50 h ARG 47 Ca -0.42 -0.50 0.00 0.00 -0.81 0.00 0.00 59.98 58.25 1b50 h ARG 47 Cb 1.29 0.19 0.00 0.00 -0.42 0.00 0.00 29.97 31.02 1b50 h ARG 47 CO 0.55 1.19 -0.97 0.00 -1.51 0.00 0.00 179.97 179.22 1b50 n GLN 48 N -3.51 -4.71 0.00 0.20 -0.00 -1.26 -4.95 117.38 103.15 1b50 n GLN 48 Ca -0.15 3.55 0.00 0.00 -0.00 0.00 0.00 57.00 60.40 1b50 n GLN 48 Cb 1.05 -4.10 0.00 0.00 -0.00 0.00 0.00 30.24 27.18 1b50 n GLN 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1b50 n VAL 49 N -1.31 0.00 0.00 -0.39 0.31 -1.11 -4.91 118.33 110.91 1b50 n VAL 49 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1b50 n VAL 49 Cb 0.12 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.05 1b50 n VAL 49 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1b50 s ALA 51 N -2.00 -0.63 0.98 0.00 0.00 0.41 -4.30 121.76 116.23 1b50 s ALA 51 Ca 0.00 1.05 -0.15 0.00 0.00 0.00 0.00 51.96 52.86 1b50 s ALA 51 Cb 0.00 -0.78 -0.07 0.00 0.00 0.00 0.00 23.12 22.27 1b50 s ALA 51 CO 0.00 -0.33 -0.29 -3.47 0.00 0.00 0.00 175.76 171.66 1b50 n ASP 52 N 4.55 -4.24 -4.63 0.00 2.03 -1.26 -0.47 116.55 112.53 1b50 n ASP 52 Ca -0.20 0.23 -0.43 0.00 0.52 0.00 0.00 54.79 54.92 1b50 n ASP 52 Cb 0.52 -0.95 -0.02 0.00 -0.72 0.00 0.00 41.12 39.95 1b50 n ASP 52 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1b50 s PRO 53 N -2.72 3.92 0.00 -0.67 0.04 0.27 -2.87 135.00 132.96 1b50 s PRO 53 Ca 0.47 1.22 0.00 0.00 0.04 0.00 0.00 61.00 62.74 1b50 s PRO 53 Cb -0.19 -3.87 0.00 0.00 0.04 0.00 0.00 34.50 30.48 1b50 s PRO 53 CO 0.76 -1.12 0.00 0.45 0.04 0.00 0.00 177.00 177.13 1b50 n SER 54 N 7.60 -1.45 -4.65 6.66 2.88 -1.26 -4.99 113.62 118.42 1b50 n SER 54 Ca 0.15 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.31 1b50 n SER 54 Cb 0.47 -0.42 0.06 0.00 -0.75 0.00 0.00 64.21 63.56 1b50 n SER 54 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1b50 n GLU 55 N -1.65 0.92 0.21 -1.46 -0.58 -1.14 -4.77 120.64 112.16 1b50 n GLU 55 Ca 0.00 0.36 0.08 0.00 -0.42 0.00 0.00 57.16 57.19 1b50 n GLU 55 Cb 0.27 -2.27 0.40 0.00 -0.57 0.00 0.00 31.44 29.27 1b50 n GLU 55 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 1b50 h GLU 56 N 0.43 0.00 -0.02 3.49 4.81 -1.94 -1.55 114.58 119.79 1b50 h GLU 56 Ca -0.49 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1b50 h GLU 56 Cb 1.36 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.74 1b50 h GLU 56 CO 0.51 0.28 -0.13 -2.67 -0.73 0.00 0.00 179.01 176.27 1b50 n TRP 57 N -3.41 0.00 -0.10 0.92 4.27 -1.26 -4.36 117.44 113.49 1b50 n TRP 57 Ca 0.00 0.00 -0.18 0.00 -3.89 0.00 0.00 57.50 53.43 1b50 n TRP 57 Cb 0.47 0.00 -0.08 0.00 -1.36 0.00 0.00 31.31 30.34 1b50 n TRP 57 CO 0.00 0.00 0.00 1.55 -2.29 0.00 0.00 177.69 176.95 1b50 n VAL 58 N 0.92 1.10 -0.43 -1.67 3.14 -1.06 -4.01 118.33 116.33 1b50 n VAL 58 Ca 0.12 -0.34 0.35 0.00 -2.96 0.00 0.00 64.34 61.51 1b50 n VAL 58 Cb 0.54 -1.50 0.64 0.00 -1.06 0.00 0.00 33.84 32.46 1b50 n VAL 58 CO 0.00 0.00 0.00 -0.61 -6.46 0.00 0.00 176.83 169.76 1b50 h GLN 59 N -0.40 0.12 -0.09 1.45 4.15 -1.50 1.03 115.11 119.87 1b50 h GLN 59 Ca -0.47 -0.01 -0.06 0.00 0.77 0.00 0.00 58.65 58.88 1b50 h GLN 59 Cb 1.54 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 29.21 1b50 h GLN 59 CO -0.20 0.08 -0.19 -0.22 -1.93 0.00 0.00 178.83 176.37 1b50 h LYS 60 N 0.13 0.28 -0.18 1.69 3.64 -1.76 -0.39 116.57 119.98 1b50 h LYS 60 Ca 0.78 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.97 1b50 h LYS 60 Cb 2.44 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 34.28 1b50 h LYS 60 CO -0.37 0.79 0.11 1.88 -2.27 0.00 0.00 179.45 179.60 1b50 h TYR 61 N -0.18 0.23 -0.45 1.91 -1.99 0.91 -1.62 116.97 115.77 1b50 h TYR 61 Ca 0.00 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.59 1b50 h TYR 61 Cb 0.79 -0.08 -0.01 0.00 2.00 0.00 0.00 36.73 39.43 1b50 h TYR 61 CO 0.11 0.16 -0.27 0.28 -0.00 0.00 0.00 178.16 178.44 1b50 h VAL 62 N 0.23 1.27 -0.64 -2.88 2.07 -1.27 -2.69 116.25 112.35 1b50 h VAL 62 Ca 0.06 -1.44 0.13 0.00 0.82 0.00 0.00 66.70 66.28 1b50 h VAL 62 Cb -0.01 1.21 -0.10 0.00 -1.52 0.00 0.00 31.29 30.86 1b50 h VAL 62 CO -0.01 0.49 0.06 -1.28 0.02 0.00 0.00 177.57 176.85 1b50 h SER 63 N 0.83 -0.16 -3.74 0.57 0.87 -0.71 -3.24 113.55 107.96 1b50 h SER 63 Ca 0.09 0.14 -0.64 0.00 -1.23 0.00 0.00 61.79 60.15 1b50 h SER 63 Cb 0.86 0.23 -0.40 0.00 -0.44 0.00 0.00 62.40 62.65 1b50 h SER 63 CO 0.08 -0.08 -0.71 -1.81 -0.53 0.00 0.00 176.83 173.78 1b50 s ASP 64 N -5.25 4.55 0.27 6.23 1.01 -0.64 -5.08 116.67 117.76 1b50 s ASP 64 Ca -0.13 -2.27 -0.24 0.00 0.71 0.00 0.00 52.55 50.62 1b50 s ASP 64 Cb 0.19 -1.51 -0.16 0.00 1.01 0.00 0.00 42.92 42.45 1b50 s ASP 64 CO 0.74 -0.35 0.31 0.18 0.21 0.00 0.00 175.17 176.26 1b50 n LEU 65 N 4.08 -1.86 -3.60 1.23 4.77 -1.05 -4.63 117.00 115.94 1b50 n LEU 65 Ca 0.04 0.94 -0.41 0.00 -0.03 0.00 0.00 56.01 56.55 1b50 n LEU 65 Cb 0.40 -0.88 -0.01 0.00 -2.33 0.00 0.00 43.42 40.60 1b50 n LEU 65 CO 0.23 -3.35 2.70 -0.62 -1.33 0.00 0.00 177.39 175.02 1b50 n GLU 66 N 1.09 3.50 0.00 3.23 -0.58 -1.25 -4.95 120.64 121.68 1b50 n GLU 66 Ca 0.14 -2.81 0.00 0.00 -0.42 0.00 0.00 57.16 54.08 1b50 n GLU 66 Cb 0.30 -2.98 0.00 0.00 -0.57 0.00 0.00 31.44 28.19 1b50 n GLU 66 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1b50 n LEU 67 N 4.30 0.00 -3.39 -4.62 4.77 -1.26 -4.55 117.00 112.25 1b50 n LEU 67 Ca 0.58 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 56.43 1b50 n LEU 67 Cb 0.32 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.42 1b50 n LEU 67 CO 0.84 -0.27 0.09 -1.20 -1.33 0.00 0.00 177.39 175.52 1b50 n SER 68 N -3.68 -6.47 -0.71 -1.43 7.64 -1.26 -4.88 113.62 102.83 1b50 n SER 68 Ca 0.00 -0.54 0.09 0.00 1.01 0.00 0.00 58.87 59.43 1b50 n SER 68 Cb 0.00 -3.99 0.07 0.00 -1.01 0.00 0.00 64.21 59.28 1b50 n SER 68 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03