#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 -1.60 0.00 -3.43 -0.00 -1.26 -4.91 117.00 105.80 1b50 n LEU 2 Ca 0.00 -1.06 -0.10 0.00 -0.00 0.00 0.00 56.01 54.85 1b50 n LEU 2 Cb 0.00 -2.01 0.08 0.00 -0.00 0.00 0.00 43.42 41.49 1b50 n LEU 2 CO 0.00 0.29 0.20 0.00 -0.00 0.00 0.00 177.39 177.88 1b50 n ALA 3 N -4.35 -1.14 -2.74 1.96 0.00 -1.26 -4.87 120.51 108.11 1b50 n ALA 3 Ca 0.03 -0.54 -0.43 0.00 0.00 0.00 0.00 53.44 52.50 1b50 n ALA 3 Cb 0.51 -0.04 -0.01 0.00 0.00 0.00 0.00 19.45 19.91 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 -2.99 3.41 -0.07 0.00 0.00 -1.26 -4.88 121.76 115.98 1b50 s ALA 4 Ca 0.23 -2.90 -0.32 0.00 0.00 0.00 0.00 51.96 48.98 1b50 s ALA 4 Cb -0.02 -4.37 0.13 0.00 0.00 0.00 0.00 23.12 18.86 1b50 s ALA 4 CO 0.18 -3.15 1.33 -0.51 0.00 0.00 0.00 175.76 173.61 1b50 s ASP 5 N 3.86 -0.04 0.34 0.00 1.01 -1.26 -5.16 116.67 115.42 1b50 s ASP 5 Ca 0.45 -0.08 0.00 0.00 0.71 0.00 0.00 52.55 53.63 1b50 s ASP 5 Cb -0.00 0.11 0.00 0.00 1.01 0.00 0.00 42.92 44.03 1b50 s ASP 5 CO -0.01 -0.19 0.00 0.35 0.21 0.00 0.00 175.17 175.53 1b50 n THR 6 N -0.44 -1.59 -1.92 -1.27 -2.24 -1.26 -4.97 114.28 100.58 1b50 n THR 6 Ca -0.08 0.82 -0.30 0.00 -2.27 0.00 0.00 64.05 62.22 1b50 n THR 6 Cb 0.63 -1.35 0.17 0.00 -2.10 0.00 0.00 70.33 67.68 1b50 n THR 6 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1b50 s PRO 7 N -4.75 0.79 -0.71 -0.78 0.04 -1.26 -4.98 135.00 123.34 1b50 s PRO 7 Ca 0.00 -0.34 -0.22 0.00 0.04 0.00 0.00 61.00 60.48 1b50 s PRO 7 Cb 0.00 -1.86 0.08 0.00 0.04 0.00 0.00 34.50 32.77 1b50 s PRO 7 CO 0.00 -2.33 0.99 0.99 0.04 0.00 0.00 177.00 176.70 1b50 s THR 8 N -3.85 4.41 0.42 1.26 2.01 -1.26 -5.00 115.64 113.63 1b50 s THR 8 Ca 0.73 -0.62 -0.21 0.00 0.31 0.00 0.00 61.69 61.89 1b50 s THR 8 Cb -0.05 -4.70 -0.14 0.00 0.01 0.00 0.00 72.50 67.62 1b50 s THR 8 CO 0.53 -1.46 0.29 0.00 -0.69 0.00 0.00 174.62 173.28 1b50 n ALA 9 N 7.47 -2.30 -2.51 7.40 0.00 -1.26 -4.96 120.51 124.34 1b50 n ALA 9 Ca 0.02 0.12 -0.09 0.00 0.00 0.00 0.00 53.44 53.48 1b50 n ALA 9 Cb 0.46 -1.61 -0.08 0.00 0.00 0.00 0.00 19.45 18.22 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 1.95 0.84 -3.65 0.00 3.72 -1.26 -4.69 117.46 114.38 1b50 n PHE 12 Ca 0.22 0.27 -0.17 0.00 -0.05 0.00 0.00 57.45 57.72 1b50 n PHE 12 Cb 0.37 -1.14 -0.15 0.00 -0.94 0.00 0.00 39.48 37.62 1b50 n PHE 12 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1b50 s SER 13 N -6.21 0.80 0.26 4.37 0.01 -1.26 -5.15 113.70 106.53 1b50 s SER 13 Ca -0.11 0.29 0.06 0.00 1.31 0.00 0.00 55.95 57.50 1b50 s SER 13 Cb 0.07 0.34 -0.03 0.00 0.21 0.00 0.00 66.02 66.61 1b50 s SER 13 CO 0.80 -0.26 0.32 -0.31 0.41 0.00 0.00 173.24 174.21 1b50 s TYR 14 N 2.31 3.28 -0.12 2.43 2.02 -1.26 -3.82 117.35 122.18 1b50 s TYR 14 Ca 0.03 -0.09 -0.06 0.00 -0.37 0.00 0.00 57.07 56.58 1b50 s TYR 14 Cb -0.13 -1.59 -0.04 0.00 -0.40 0.00 0.00 41.96 39.81 1b50 s TYR 14 CO -0.07 0.39 0.12 0.95 -1.57 0.00 0.00 175.55 175.37 1b50 s THR 15 N -2.07 5.29 0.24 -0.71 -4.23 -1.23 -4.96 115.64 107.98 1b50 s THR 15 Ca 0.35 0.13 -0.02 0.00 -1.18 0.00 0.00 61.69 60.98 1b50 s THR 15 Cb -0.09 -3.31 0.06 0.00 1.34 0.00 0.00 72.50 70.50 1b50 s THR 15 CO 0.28 0.60 1.68 0.28 -0.54 0.00 0.00 174.62 176.91 1b50 h SER 16 N 5.22 0.69 -3.32 3.99 0.02 -1.99 -3.42 113.55 114.74 1b50 h SER 16 Ca -0.52 -0.23 -0.56 0.00 -0.84 0.00 0.00 61.79 59.64 1b50 h SER 16 Cb 1.21 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 63.53 1b50 h SER 16 CO 0.59 0.88 0.03 -0.60 -1.14 0.00 0.00 176.83 176.59 1b50 s ARG 17 N -4.63 4.31 0.00 3.45 3.52 -1.26 -5.07 118.95 119.28 1b50 s ARG 17 Ca -0.09 0.85 0.00 0.00 -0.13 0.00 0.00 55.73 56.36 1b50 s ARG 17 Cb 0.13 -3.26 0.00 0.00 -1.56 0.00 0.00 34.95 30.26 1b50 s ARG 17 CO 0.82 0.57 0.00 1.04 -0.81 0.00 0.00 175.30 176.92 1b50 n GLN 18 N 1.87 0.88 -3.37 5.12 3.00 -1.26 -5.09 117.38 118.54 1b50 n GLN 18 Ca -0.08 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.78 1b50 n GLN 18 Cb 0.50 0.00 -0.08 0.00 0.00 0.00 0.00 30.24 30.66 1b50 n GLN 18 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.06 178.02 1b50 s ILE 19 N 0.01 -0.52 1.02 5.09 -4.36 -1.26 -5.14 121.20 116.04 1b50 s ILE 19 Ca 0.00 -0.27 -0.12 0.00 -0.26 0.00 0.00 60.65 60.00 1b50 s ILE 19 Cb 0.00 -0.91 0.20 0.00 1.25 0.00 0.00 42.46 43.00 1b50 s ILE 19 CO 0.00 -0.29 1.08 -2.16 0.24 0.00 0.00 174.94 173.81 1b50 s PRO 20 N 2.47 0.23 0.32 0.37 0.04 -1.26 -4.47 135.00 132.70 1b50 s PRO 20 Ca 0.10 0.99 0.09 0.00 0.04 0.00 0.00 61.00 62.22 1b50 s PRO 20 Cb -0.14 -1.68 0.84 0.00 0.04 0.00 0.00 34.50 33.56 1b50 s PRO 20 CO -0.25 -2.99 1.76 1.96 0.04 0.00 0.00 177.00 177.51 1b50 h GLN 21 N -2.10 0.63 -0.94 4.56 4.20 -1.90 0.30 115.11 119.86 1b50 h GLN 21 Ca -0.53 -0.04 0.17 0.00 0.06 0.00 0.00 58.65 58.31 1b50 h GLN 21 Cb 1.30 -0.14 -0.10 0.00 0.30 0.00 0.00 27.48 28.84 1b50 h GLN 21 CO 0.50 0.42 0.53 -0.97 -0.67 0.00 0.00 178.83 178.63 1b50 h ASN 22 N 0.65 0.66 0.65 1.46 -1.24 -2.03 0.15 115.58 115.88 1b50 h ASN 22 Ca 0.61 0.10 0.00 0.00 0.71 0.00 0.00 56.30 57.72 1b50 h ASN 22 Cb 1.10 -0.01 0.00 0.00 0.73 0.00 0.00 38.32 40.13 1b50 h ASN 22 CO -0.41 0.24 -0.70 0.49 -1.29 0.00 0.00 177.43 175.75 1b50 n PHE 23 N -4.83 0.33 -2.71 0.67 3.72 0.79 -4.88 117.46 110.55 1b50 n PHE 23 Ca 0.21 0.10 -0.38 0.00 -0.05 0.00 0.00 57.45 57.32 1b50 n PHE 23 Cb 0.52 -0.49 -0.06 0.00 -0.94 0.00 0.00 39.48 38.52 1b50 n PHE 23 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1b50 s ILE 24 N -3.13 4.03 0.06 4.37 -1.09 0.52 -3.25 121.20 122.71 1b50 s ILE 24 Ca 0.07 1.79 0.00 0.00 -2.23 0.00 0.00 60.65 60.28 1b50 s ILE 24 Cb 0.15 -4.04 0.00 0.00 -1.58 0.00 0.00 42.46 36.99 1b50 s ILE 24 CO 0.74 0.24 0.00 0.00 -1.23 0.00 0.00 174.94 174.68 1b50 n ALA 25 N 0.77 3.00 -2.40 9.38 0.00 -1.25 -4.89 120.51 125.13 1b50 n ALA 25 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1b50 n ALA 25 Cb 0.49 0.07 0.00 0.00 0.00 0.00 0.00 19.45 20.01 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 -2.89 0.00 -2.00 0.00 0.00 -1.26 -4.89 120.51 109.47 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 -0.15 0.00 -0.33 0.00 4.11 -1.26 -4.06 117.16 115.47 1b50 n TYR 27 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 1b50 n TYR 27 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.34 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 0.00 -4.13 -3.48 3.72 -1.24 -2.63 117.46 109.69 1b50 n PHE 28 Ca 0.00 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.07 1b50 n PHE 28 Cb 0.00 -0.96 -0.07 0.00 -0.94 0.00 0.00 39.48 37.50 1b50 n PHE 28 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 176.76 174.88 1b50 s GLU 29 N -2.43 3.04 0.34 -1.08 -1.05 -1.26 0.15 118.70 116.41 1b50 s GLU 29 Ca 0.00 -0.48 0.03 0.00 -0.15 0.00 0.00 54.97 54.37 1b50 s GLU 29 Cb 0.00 -2.84 -0.02 0.00 -0.44 0.00 0.00 34.13 30.83 1b50 s GLU 29 CO 0.00 0.65 0.50 0.95 0.95 0.00 0.00 175.26 178.32 1b50 s THR 30 N -1.16 4.60 0.00 1.83 -4.23 -1.22 -4.67 115.64 110.80 1b50 s THR 30 Ca 0.22 -0.76 0.00 0.00 -1.18 0.00 0.00 61.69 59.97 1b50 s THR 30 Cb -0.12 -3.65 0.00 0.00 1.34 0.00 0.00 72.50 70.07 1b50 s THR 30 CO 0.12 -0.34 0.00 -0.24 -0.54 0.00 0.00 174.62 173.63 1b50 n SER 31 N -1.71 0.00 -4.48 3.99 2.88 -1.25 -3.98 113.62 109.06 1b50 n SER 31 Ca -0.03 0.00 -0.63 0.00 -1.33 0.00 0.00 58.87 56.88 1b50 n SER 31 Cb 0.57 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.92 1b50 n SER 31 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1b50 n SER 32 N 0.00 1.03 -3.44 -3.46 2.88 -1.26 -2.25 113.62 107.12 1b50 n SER 32 Ca 0.00 0.90 -0.25 0.00 -1.33 0.00 0.00 58.87 58.19 1b50 n SER 32 Cb 0.00 -0.91 0.02 0.00 -0.75 0.00 0.00 64.21 62.57 1b50 n SER 32 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1b50 n GLN 33 N 5.99 -1.82 -3.91 -1.46 6.02 -1.26 -4.90 117.38 116.05 1b50 n GLN 33 Ca 0.44 1.35 0.00 0.00 -0.01 0.00 0.00 57.00 58.77 1b50 n GLN 33 Cb -0.04 -3.16 0.00 0.00 1.02 0.00 0.00 30.24 28.06 1b50 n GLN 33 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1b50 n SER 35 N 2.60 0.00 0.00 0.00 7.64 -1.26 -4.69 113.62 117.91 1b50 n SER 35 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1b50 n SER 35 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1b50 n SER 35 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1b50 n LYS 36 N 0.00 0.00 -0.69 1.43 4.81 -1.26 -4.71 118.16 117.74 1b50 n LYS 36 Ca 0.00 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.39 1b50 n LYS 36 Cb 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.00 1b50 n LYS 36 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1b50 n PRO 37 N 0.00 1.37 -0.38 1.64 -0.04 -1.26 -4.59 135.00 131.74 1b50 n PRO 37 Ca 0.00 -0.45 0.00 0.00 -0.04 0.00 0.00 63.50 63.01 1b50 n PRO 37 Cb 0.00 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.10 1b50 n PRO 37 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1b50 n GLY 38 N 1.69 2.77 0.00 0.55 0.00 -1.26 -2.48 105.19 106.46 1b50 n GLY 38 Ca 0.16 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1b50 n GLY 38 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1b50 n VAL 39 N 0.00 0.00 -3.85 1.61 3.14 -1.22 -3.45 118.33 114.56 1b50 n VAL 39 Ca 0.00 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.29 1b50 n VAL 39 Cb 0.00 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 32.74 1b50 n VAL 39 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 1b50 s ILE 40 N -2.17 0.02 0.36 1.55 1.01 0.40 -3.89 121.20 118.47 1b50 s ILE 40 Ca 0.00 -1.04 -0.03 0.00 0.00 0.00 0.00 60.65 59.58 1b50 s ILE 40 Cb 0.00 -1.84 0.01 0.00 0.01 0.00 0.00 42.46 40.64 1b50 s ILE 40 CO 0.00 -0.08 0.51 -0.36 0.00 0.00 0.00 174.94 175.01 1b50 s PHE 41 N -3.93 1.04 -0.39 3.97 0.08 -1.08 -3.68 117.98 113.99 1b50 s PHE 41 Ca 0.14 -1.30 0.11 0.00 0.12 0.00 0.00 56.93 56.01 1b50 s PHE 41 Cb -0.01 -0.01 0.35 0.00 -0.57 0.00 0.00 43.02 42.77 1b50 s PHE 41 CO 0.02 -1.20 0.74 1.28 -0.10 0.00 0.00 175.22 175.96 1b50 n LEU 42 N -0.59 1.11 -4.03 -0.37 4.77 -1.26 -3.73 117.00 112.91 1b50 n LEU 42 Ca 0.00 -5.06 -0.37 0.00 -0.03 0.00 0.00 56.01 50.55 1b50 n LEU 42 Cb 0.61 0.62 0.04 0.00 -2.33 0.00 0.00 43.42 42.36 1b50 n LEU 42 CO 0.30 2.29 -1.61 0.35 -1.33 0.00 0.00 177.39 177.39 1b50 n THR 43 N 0.26 0.00 0.31 -5.08 -2.24 -1.21 -3.76 114.28 102.57 1b50 n THR 43 Ca 0.25 -0.27 0.15 0.00 -2.27 0.00 0.00 64.05 61.91 1b50 n THR 43 Cb 0.64 -0.05 0.47 0.00 -2.10 0.00 0.00 70.33 69.29 1b50 n THR 43 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1b50 h LYS 44 N -1.06 0.00 0.00 -0.78 6.56 -1.89 -2.37 116.57 117.03 1b50 h LYS 44 Ca -0.42 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.17 1b50 h LYS 44 Cb 1.34 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.00 1b50 h LYS 44 CO 0.23 0.00 0.00 0.54 -2.06 0.00 0.00 179.45 178.16 1b50 n ARG 45 N -2.89 0.45 -2.39 3.15 1.74 -1.26 -4.83 116.66 110.65 1b50 n ARG 45 Ca 0.02 0.05 -0.02 0.00 -0.77 0.00 0.00 57.85 57.13 1b50 n ARG 45 Cb 0.38 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.32 1b50 n ARG 45 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1b50 n SER 46 N -1.15 -2.08 -3.74 0.55 2.88 -0.89 -5.04 113.62 104.15 1b50 n SER 46 Ca 0.12 -0.03 -0.27 0.00 -1.33 0.00 0.00 58.87 57.36 1b50 n SER 46 Cb 0.12 -0.96 -0.17 0.00 -0.75 0.00 0.00 64.21 62.45 1b50 n SER 46 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1b50 s ARG 47 N -4.73 0.64 0.61 -1.46 0.52 -1.26 -4.97 118.95 108.30 1b50 s ARG 47 Ca 0.04 -0.33 -0.14 0.00 -0.52 0.00 0.00 55.73 54.78 1b50 s ARG 47 Cb -0.02 -1.92 -0.04 0.00 0.52 0.00 0.00 34.95 33.50 1b50 s ARG 47 CO 0.05 -0.58 1.04 1.14 0.02 0.00 0.00 175.30 176.96 1b50 s GLN 48 N 1.88 3.42 -0.14 3.54 1.03 -1.25 -3.30 119.66 124.83 1b50 s GLN 48 Ca 0.00 0.99 -0.21 0.00 0.04 0.00 0.00 55.36 56.18 1b50 s GLN 48 Cb -0.16 -2.05 0.05 0.00 0.03 0.00 0.00 33.01 30.88 1b50 s GLN 48 CO -0.08 -0.72 0.54 0.08 -2.54 0.00 0.00 175.29 172.58 1b50 s VAL 49 N -2.79 0.01 0.80 3.63 1.01 -1.24 -4.83 120.40 116.98 1b50 s VAL 49 Ca 0.59 -0.08 -0.10 0.00 0.00 0.00 0.00 61.98 62.40 1b50 s VAL 49 Cb -0.13 -0.80 0.10 0.00 0.00 0.00 0.00 36.38 35.56 1b50 s VAL 49 CO 0.44 -0.04 1.14 0.00 0.00 0.00 0.00 175.10 176.63 1b50 s ALA 51 N -3.49 -1.14 0.90 0.00 0.00 -1.25 -3.47 121.76 113.30 1b50 s ALA 51 Ca 0.64 0.57 -0.17 0.00 0.00 0.00 0.00 51.96 53.01 1b50 s ALA 51 Cb -0.09 0.19 -0.13 0.00 0.00 0.00 0.00 23.12 23.09 1b50 s ALA 51 CO 0.48 -0.38 -0.54 -3.47 0.00 0.00 0.00 175.76 171.85 1b50 n ASP 52 N 0.83 -5.13 -4.63 0.00 2.03 -1.26 -3.41 116.55 104.97 1b50 n ASP 52 Ca -0.20 0.29 -0.43 0.00 0.52 0.00 0.00 54.79 54.97 1b50 n ASP 52 Cb 0.58 -0.83 -0.02 0.00 -0.72 0.00 0.00 41.12 40.13 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 -2.00 3.96 0.00 -0.67 0.04 -1.03 -3.16 135.00 132.14 1b50 s PRO 53 Ca 0.45 1.24 0.00 0.00 0.04 0.00 0.00 61.00 62.73 1b50 s PRO 53 Cb -0.24 -3.84 0.00 0.00 0.04 0.00 0.00 34.50 30.45 1b50 s PRO 53 CO 0.78 -1.05 0.00 0.45 0.04 0.00 0.00 177.00 177.22 1b50 n SER 54 N 7.41 -0.97 -4.55 6.66 2.88 -1.26 -5.00 113.62 118.79 1b50 n SER 54 Ca 0.14 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.29 1b50 n SER 54 Cb 0.47 -0.45 0.03 0.00 -0.75 0.00 0.00 64.21 63.50 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 -1.07 0.86 0.18 -1.46 -0.58 -1.19 -4.77 120.64 112.62 1b50 n GLU 55 Ca 0.00 0.32 0.02 0.00 -0.42 0.00 0.00 57.16 57.09 1b50 n GLU 55 Cb 0.44 -1.92 0.33 0.00 -0.57 0.00 0.00 31.44 29.72 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 0.72 0.00 0.00 3.49 4.81 -1.94 -1.72 114.58 119.94 1b50 h GLU 56 Ca -0.46 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 58.68 1b50 h GLU 56 Cb 1.37 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.73 1b50 h GLU 56 CO 0.51 0.42 -1.48 -2.67 -0.73 0.00 0.00 179.01 175.06 1b50 n TRP 57 N -3.93 0.69 0.03 0.92 4.27 -1.26 -4.30 117.44 113.87 1b50 n TRP 57 Ca -0.01 0.22 -0.21 0.00 -3.89 0.00 0.00 57.50 53.60 1b50 n TRP 57 Cb 0.46 -0.92 -0.14 0.00 -1.36 0.00 0.00 31.31 29.35 1b50 n TRP 57 CO 0.00 0.00 0.00 0.28 -2.29 0.00 0.00 177.69 175.68 1b50 h VAL 58 N 0.00 1.29 -1.00 -1.67 2.07 -1.88 -2.85 116.25 112.21 1b50 h VAL 58 Ca -0.11 -2.48 0.33 0.00 0.82 0.00 0.00 66.70 65.26 1b50 h VAL 58 Cb 1.32 2.97 -0.15 0.00 -1.52 0.00 0.00 31.29 33.91 1b50 h VAL 58 CO 0.02 0.71 0.55 1.56 0.02 0.00 0.00 177.57 180.43 1b50 h GLN 59 N -0.33 0.28 0.07 1.57 4.20 -1.50 0.21 115.11 119.60 1b50 h GLN 59 Ca -0.22 -0.02 -0.12 0.00 0.06 0.00 0.00 58.65 58.35 1b50 h GLN 59 Cb 1.71 -0.06 0.01 0.00 0.30 0.00 0.00 27.48 29.44 1b50 h GLN 59 CO 0.11 0.18 -0.51 -0.22 -0.67 0.00 0.00 178.83 177.72 1b50 h LYS 60 N 0.28 0.23 0.00 1.46 3.64 -1.75 -1.26 116.57 119.18 1b50 h LYS 60 Ca 0.74 -0.33 0.00 0.00 -1.27 0.00 0.00 60.65 59.78 1b50 h LYS 60 Cb 1.71 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.64 1b50 h LYS 60 CO -0.63 1.12 0.00 1.88 -2.27 0.00 0.00 179.45 179.55 1b50 h TYR 61 N -0.49 0.00 0.00 1.91 0.05 -0.59 -2.11 116.97 115.73 1b50 h TYR 61 Ca -0.08 0.00 -0.33 0.00 0.05 0.00 0.00 58.73 58.37 1b50 h TYR 61 Cb 1.35 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 39.03 1b50 h TYR 61 CO 0.21 0.00 -2.24 0.28 -1.05 0.00 0.00 178.16 175.35 1b50 n VAL 62 N -2.44 1.24 -0.26 -2.88 0.31 0.46 -4.51 118.33 110.25 1b50 n VAL 62 Ca -0.01 -0.75 -0.03 0.00 -0.01 0.00 0.00 64.34 63.54 1b50 n VAL 62 Cb 0.10 -0.58 0.03 0.00 -0.91 0.00 0.00 33.84 32.48 1b50 n VAL 62 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1b50 h SER 63 N 0.00 -1.19 0.00 4.52 0.87 -0.50 0.47 113.55 117.72 1b50 h SER 63 Ca -0.49 0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.32 1b50 h SER 63 Cb 2.09 0.62 0.00 0.00 -0.44 0.00 0.00 62.40 64.67 1b50 h SER 63 CO 0.02 -0.30 0.00 0.47 -0.53 0.00 0.00 176.83 176.49 1b50 n ASP 64 N -5.45 0.00 -2.59 6.23 8.00 -1.24 -1.56 116.55 119.94 1b50 n ASP 64 Ca 0.07 0.43 -0.30 0.00 0.71 0.00 0.00 54.79 55.69 1b50 n ASP 64 Cb 0.37 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.44 1b50 n ASP 64 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1b50 n LEU 65 N -0.86 6.77 0.00 0.64 4.77 -1.09 -4.87 117.00 122.35 1b50 n LEU 65 Ca 0.00 -4.26 -0.07 0.00 -0.03 0.00 0.00 56.01 51.65 1b50 n LEU 65 Cb 0.00 -1.18 0.05 0.00 -2.33 0.00 0.00 43.42 39.95 1b50 n LEU 65 CO 0.00 1.73 0.21 1.21 -1.33 0.00 0.00 177.39 179.21 1b50 n GLU 66 N 0.47 -0.15 -1.58 3.23 2.13 0.16 -4.87 120.64 120.03 1b50 n GLU 66 Ca 0.50 -0.58 -0.30 0.00 0.66 0.00 0.00 57.16 57.44 1b50 n GLU 66 Cb 0.47 -0.31 -0.04 0.00 0.27 0.00 0.00 31.44 31.82 1b50 n GLU 66 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1b50 s LEU 67 N 0.00 3.25 0.00 4.31 0.20 -1.26 -3.45 118.68 121.73 1b50 s LEU 67 Ca 0.19 0.75 0.00 0.00 0.69 0.00 0.00 54.13 55.76 1b50 s LEU 67 Cb -0.01 -2.52 0.00 0.00 -0.43 0.00 0.00 46.19 43.24 1b50 s LEU 67 CO 0.13 -3.16 0.00 -1.54 -0.29 0.00 0.00 176.35 171.49 1b50 n SER 68 N 16.63 0.00 0.00 3.68 3.41 -1.26 -5.19 113.62 130.90 1b50 n SER 68 Ca 0.39 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.00 1b50 n SER 68 Cb 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 1b50 n SER 68 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88