#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 -5.20 0.00 -3.43 4.77 -1.26 -5.02 117.00 106.85 1b50 n LEU 2 Ca 0.00 -0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 1b50 n LEU 2 Cb 0.00 -2.61 0.00 0.00 -2.33 0.00 0.00 43.42 38.48 1b50 n LEU 2 CO 0.00 -0.51 0.00 0.00 -1.33 0.00 0.00 177.39 175.55 1b50 n ALA 3 N -1.97 1.18 -1.77 -1.18 0.00 -1.26 -5.05 120.51 110.46 1b50 n ALA 3 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.04 1b50 n ALA 3 Cb 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.95 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 -2.00 3.23 0.10 0.00 0.00 -1.26 -4.80 121.76 117.03 1b50 s ALA 4 Ca 0.00 0.95 0.00 0.00 0.00 0.00 0.00 51.96 52.91 1b50 s ALA 4 Cb 0.00 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.75 1b50 s ALA 4 CO 0.00 -0.43 0.00 -0.25 0.00 0.00 0.00 175.76 175.08 1b50 n ASP 5 N 0.34 -6.18 0.00 0.00 8.00 -1.26 -5.02 116.55 112.42 1b50 n ASP 5 Ca 0.03 0.47 0.00 0.00 0.71 0.00 0.00 54.79 56.00 1b50 n ASP 5 Cb 0.46 -1.35 0.00 0.00 -0.02 0.00 0.00 41.12 40.21 1b50 n ASP 5 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 1b50 n THR 6 N -2.50 -0.19 -2.61 -3.53 5.66 -1.26 -4.90 114.28 104.95 1b50 n THR 6 Ca 0.00 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.58 1b50 n THR 6 Cb 0.20 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.95 1b50 n THR 6 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 1b50 s PRO 7 N -4.38 4.43 -0.27 1.09 0.04 -1.26 -5.00 135.00 129.65 1b50 s PRO 7 Ca 0.00 1.50 -0.29 0.00 0.04 0.00 0.00 61.00 62.25 1b50 s PRO 7 Cb 0.00 -3.51 0.00 0.00 0.04 0.00 0.00 34.50 31.03 1b50 s PRO 7 CO 0.00 -0.29 1.19 0.99 0.04 0.00 0.00 177.00 178.93 1b50 s THR 8 N 1.78 4.35 0.92 1.26 2.01 -1.26 -5.01 115.64 119.69 1b50 s THR 8 Ca 0.52 1.57 -0.11 0.00 0.31 0.00 0.00 61.69 63.97 1b50 s THR 8 Cb -0.21 -4.22 0.15 0.00 0.01 0.00 0.00 72.50 68.22 1b50 s THR 8 CO 0.22 -0.37 1.09 0.00 -0.69 0.00 0.00 174.62 174.87 1b50 s ALA 9 N 3.82 1.33 -0.25 7.40 0.00 -1.26 -5.02 121.76 127.79 1b50 s ALA 9 Ca 0.51 0.02 -0.03 0.00 0.00 0.00 0.00 51.96 52.46 1b50 s ALA 9 Cb -0.16 -3.23 0.13 0.00 0.00 0.00 0.00 23.12 19.86 1b50 s ALA 9 CO 0.17 -2.55 0.42 0.00 0.00 0.00 0.00 175.76 173.80 1b50 n PHE 12 N 10.34 0.11 -3.19 0.00 3.72 -1.26 -4.51 117.46 122.67 1b50 n PHE 12 Ca 0.25 -0.06 0.04 0.00 -0.05 0.00 0.00 57.45 57.62 1b50 n PHE 12 Cb 0.50 -0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.02 1b50 n PHE 12 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1b50 s SER 13 N -1.73 -1.28 0.42 4.37 1.04 -1.26 -5.16 113.70 110.10 1b50 s SER 13 Ca 0.28 0.88 0.08 0.00 0.48 0.00 0.00 55.95 57.67 1b50 s SER 13 Cb 0.19 2.11 -0.00 0.00 0.10 0.00 0.00 66.02 68.41 1b50 s SER 13 CO 0.28 -0.24 0.48 -0.31 0.98 0.00 0.00 173.24 174.43 1b50 s TYR 14 N 2.87 2.75 -0.30 5.02 2.02 -1.26 -4.05 117.35 124.40 1b50 s TYR 14 Ca 0.17 -0.45 -0.13 0.00 -0.37 0.00 0.00 57.07 56.29 1b50 s TYR 14 Cb -0.14 -2.28 -0.04 0.00 -0.40 0.00 0.00 41.96 39.10 1b50 s TYR 14 CO -0.20 -0.29 0.26 -0.08 -1.57 0.00 0.00 175.55 173.67 1b50 s THR 15 N -2.41 5.26 0.30 -0.71 -1.32 -1.25 -4.92 115.64 110.60 1b50 s THR 15 Ca 0.52 0.15 0.04 0.00 -1.21 0.00 0.00 61.69 61.19 1b50 s THR 15 Cb -0.07 -3.63 0.32 0.00 -1.51 0.00 0.00 72.50 67.61 1b50 s THR 15 CO 0.31 0.14 1.64 0.28 -2.21 0.00 0.00 174.62 174.78 1b50 h SER 16 N 8.37 0.04 -3.50 8.08 0.02 -1.98 -3.38 113.55 121.20 1b50 h SER 16 Ca -0.33 0.20 -0.50 0.00 -0.84 0.00 0.00 61.79 60.32 1b50 h SER 16 Cb 1.17 0.27 0.01 0.00 0.14 0.00 0.00 62.40 63.98 1b50 h SER 16 CO 0.60 -0.18 0.03 -0.60 -1.14 0.00 0.00 176.83 175.54 1b50 s ARG 17 N -5.89 3.69 0.00 3.45 6.06 -1.26 -5.04 118.95 119.96 1b50 s ARG 17 Ca -0.12 0.26 0.00 0.00 -2.50 0.00 0.00 55.73 53.37 1b50 s ARG 17 Cb 0.27 -2.48 0.00 0.00 0.06 0.00 0.00 34.95 32.80 1b50 s ARG 17 CO 0.77 0.02 0.00 1.04 -2.50 0.00 0.00 175.30 174.63 1b50 n GLN 18 N -1.35 1.57 -3.38 5.12 3.00 -1.26 -5.04 117.38 116.04 1b50 n GLN 18 Ca 0.01 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 56.95 1b50 n GLN 18 Cb 0.54 0.00 -0.06 0.00 0.00 0.00 0.00 30.24 30.72 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 0.59 -0.74 0.77 5.09 -4.36 -1.26 -5.09 121.20 116.20 1b50 s ILE 19 Ca 0.00 -0.00 -0.12 0.00 -0.26 0.00 0.00 60.65 60.27 1b50 s ILE 19 Cb 0.00 -0.85 0.06 0.00 1.25 0.00 0.00 42.46 42.92 1b50 s ILE 19 CO 0.00 -0.05 1.12 -2.16 0.24 0.00 0.00 174.94 174.10 1b50 s PRO 20 N 2.66 2.12 0.64 0.37 0.04 -1.26 -4.72 135.00 134.86 1b50 s PRO 20 Ca 0.11 1.38 0.29 0.00 0.04 0.00 0.00 61.00 62.82 1b50 s PRO 20 Cb -0.14 -1.87 1.57 0.00 0.04 0.00 0.00 34.50 34.10 1b50 s PRO 20 CO -0.17 -1.78 1.91 1.96 0.04 0.00 0.00 177.00 178.97 1b50 h GLN 21 N -0.89 0.00 -0.34 4.56 4.20 -1.91 0.25 115.11 120.97 1b50 h GLN 21 Ca -0.45 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.10 1b50 h GLN 21 Cb 1.25 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.03 1b50 h GLN 21 CO 0.50 0.00 -0.43 -0.91 -0.67 0.00 0.00 178.83 177.32 1b50 h ASN 22 N 0.00 0.94 0.13 1.46 4.21 -2.03 -2.73 115.58 117.56 1b50 h ASN 22 Ca 0.06 -0.45 0.00 0.00 1.21 0.00 0.00 56.30 57.12 1b50 h ASN 22 Cb 0.80 -0.27 0.00 0.00 -1.12 0.00 0.00 38.32 37.74 1b50 h ASN 22 CO -0.00 1.23 -0.08 0.33 -1.29 0.00 0.00 177.43 177.62 1b50 n PHE 23 N -4.04 0.00 -4.58 1.19 -0.00 0.81 -4.88 117.46 105.96 1b50 n PHE 23 Ca -0.03 0.00 -0.27 0.00 -0.00 0.00 0.00 57.45 57.16 1b50 n PHE 23 Cb 0.56 -0.07 -0.11 0.00 -0.00 0.00 0.00 39.48 39.86 1b50 n PHE 23 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 1b50 s ILE 24 N -2.22 1.86 0.12 -2.13 1.01 -0.68 -3.69 121.20 115.46 1b50 s ILE 24 Ca 0.35 -2.01 0.00 0.00 0.00 0.00 0.00 60.65 58.99 1b50 s ILE 24 Cb 0.21 -2.94 0.00 0.00 0.01 0.00 0.00 42.46 39.73 1b50 s ILE 24 CO 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 174.94 175.34 1b50 n ALA 25 N -0.91 2.40 -2.32 9.38 0.00 -1.22 -4.82 120.51 123.03 1b50 n ALA 25 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 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 -2.84 0.00 -3.91 0.00 0.00 -1.25 -4.96 120.51 107.54 1b50 n ALA 26 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 1b50 n ALA 26 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 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 -0.02 -1.19 -2.32 0.00 4.11 -1.25 -3.98 117.16 112.50 1b50 n TYR 27 Ca 0.00 -1.17 0.00 0.00 -0.00 0.00 0.00 57.90 56.73 1b50 n TYR 27 Cb 0.00 0.57 0.00 0.00 -0.00 0.00 0.00 39.34 39.91 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 -0.76 -0.31 -2.97 -3.48 3.72 0.90 -4.46 117.46 110.11 1b50 n PHE 28 Ca -0.01 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.41 1b50 n PHE 28 Cb 0.58 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.12 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 0.05 0.38 0.52 -1.08 -1.05 -1.26 -4.01 118.70 112.25 1b50 s GLU 29 Ca 0.00 -0.06 -0.22 0.00 -0.15 0.00 0.00 54.97 54.55 1b50 s GLU 29 Cb 0.00 0.06 -0.07 0.00 -0.44 0.00 0.00 34.13 33.68 1b50 s GLU 29 CO 0.00 -0.58 1.10 0.25 0.95 0.00 0.00 175.26 176.98 1b50 n THR 30 N 4.18 3.24 -0.92 1.83 -2.24 -1.25 -4.90 114.28 114.22 1b50 n THR 30 Ca 0.08 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 1b50 n THR 30 Cb 0.60 -1.32 0.00 0.00 -2.10 0.00 0.00 70.33 67.52 1b50 n THR 30 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1b50 n SER 31 N -0.35 0.00 0.00 3.42 7.64 -1.26 -4.57 113.62 118.50 1b50 n SER 31 Ca 0.11 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.99 1b50 n SER 31 Cb 0.44 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 1b50 n SER 31 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1b50 n SER 32 N 0.00 0.00 0.00 6.43 2.88 -1.26 -3.41 113.62 118.26 1b50 n SER 32 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1b50 n SER 32 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 0.00 0.00 0.00 -1.46 1.13 -1.26 -4.23 117.38 111.56 1b50 n GLN 33 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1b50 n GLN 33 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 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 0.00 0.00 0.00 0.00 2.88 -1.26 -4.98 113.62 110.26 1b50 n SER 35 Ca 0.00 0.29 0.00 0.00 -1.33 0.00 0.00 58.87 57.83 1b50 n SER 35 Cb 0.00 -0.08 0.00 0.00 -0.75 0.00 0.00 64.21 63.38 1b50 n SER 35 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1b50 n LYS 36 N -0.73 0.00 -2.63 -1.46 0.00 -1.22 -4.73 118.16 107.39 1b50 n LYS 36 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 58.31 57.89 1b50 n LYS 36 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.00 1b50 n LYS 36 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1b50 s PRO 37 N 0.00 3.48 0.00 1.64 0.04 -1.26 -3.82 135.00 135.08 1b50 s PRO 37 Ca 0.00 0.16 0.00 0.00 0.04 0.00 0.00 61.00 61.20 1b50 s PRO 37 Cb 0.00 -4.02 0.00 0.00 0.04 0.00 0.00 34.50 30.52 1b50 s PRO 37 CO 0.00 -1.65 0.00 0.41 0.04 0.00 0.00 177.00 175.80 1b50 n GLY 38 N 5.07 0.16 7.00 0.56 0.00 -1.24 -4.50 105.19 112.25 1b50 n GLY 38 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1b50 n GLY 38 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1b50 n VAL 39 N 0.00 0.00 -3.73 1.61 0.24 -1.25 0.84 118.33 116.04 1b50 n VAL 39 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.17 1b50 n VAL 39 Cb 0.00 0.00 -0.13 0.00 -1.47 0.00 0.00 33.84 32.24 1b50 n VAL 39 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1b50 s ILE 40 N 0.00 -0.05 0.26 1.34 1.09 -1.26 -4.03 121.20 118.55 1b50 s ILE 40 Ca 0.00 0.16 0.07 0.00 -1.10 0.00 0.00 60.65 59.78 1b50 s ILE 40 Cb 0.00 -0.34 -0.03 0.00 -1.06 0.00 0.00 42.46 41.02 1b50 s ILE 40 CO 0.00 0.07 0.22 -0.36 -0.10 0.00 0.00 174.94 174.77 1b50 s PHE 41 N 1.27 3.09 -0.62 3.97 0.08 -1.06 -0.07 117.98 124.64 1b50 s PHE 41 Ca -0.09 -0.14 0.06 0.00 0.12 0.00 0.00 56.93 56.88 1b50 s PHE 41 Cb -0.11 -1.47 0.27 0.00 -0.57 0.00 0.00 43.02 41.14 1b50 s PHE 41 CO -0.08 0.46 0.80 1.28 -0.10 0.00 0.00 175.22 177.58 1b50 n LEU 42 N -1.22 3.90 0.00 -0.37 4.77 -1.26 -3.13 117.00 119.70 1b50 n LEU 42 Ca -0.07 -5.50 -0.10 0.00 -0.03 0.00 0.00 56.01 50.32 1b50 n LEU 42 Cb 0.58 -0.62 0.09 0.00 -2.33 0.00 0.00 43.42 41.14 1b50 n LEU 42 CO 0.43 2.13 0.11 0.35 -1.33 0.00 0.00 177.39 179.08 1b50 n THR 43 N 0.58 0.00 0.06 -5.08 -2.24 -1.23 -3.44 114.28 102.92 1b50 n THR 43 Ca 0.30 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.99 1b50 n THR 43 Cb 0.41 -0.31 -0.13 0.00 -2.10 0.00 0.00 70.33 68.20 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 0.00 0.07 0.00 -0.78 1.79 -1.90 -3.11 116.57 112.64 1b50 h LYS 44 Ca -0.13 -0.11 0.00 0.00 -2.18 0.00 0.00 60.65 58.23 1b50 h LYS 44 Cb 0.42 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 1b50 h LYS 44 CO 0.08 0.98 0.00 -2.13 -1.08 0.00 0.00 179.45 177.29 1b50 n ARG 45 N -3.35 0.24 -2.15 3.15 0.63 -1.26 -4.85 116.66 109.07 1b50 n ARG 45 Ca -0.05 0.13 -0.02 0.00 -0.92 0.00 0.00 57.85 56.98 1b50 n ARG 45 Cb 0.98 -1.50 0.01 0.00 0.45 0.00 0.00 32.46 32.40 1b50 n ARG 45 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1b50 n SER 46 N -1.28 -2.06 -4.00 6.15 2.88 -1.18 -5.06 113.62 109.07 1b50 n SER 46 Ca 0.08 -0.09 -0.26 0.00 -1.33 0.00 0.00 58.87 57.28 1b50 n SER 46 Cb 0.13 -1.13 -0.17 0.00 -0.75 0.00 0.00 64.21 62.29 1b50 n SER 46 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1b50 s ARG 47 N -4.10 1.74 0.06 -1.46 1.70 -1.26 -4.97 118.95 110.66 1b50 s ARG 47 Ca 0.01 -0.40 -0.31 0.00 -0.47 0.00 0.00 55.73 54.56 1b50 s ARG 47 Cb -0.00 -1.51 -0.06 0.00 -0.57 0.00 0.00 34.95 32.81 1b50 s ARG 47 CO 0.10 -0.05 1.29 -1.14 -1.08 0.00 0.00 175.30 174.42 1b50 s GLN 48 N 0.93 4.37 -0.21 3.89 -0.44 -1.25 -3.55 119.66 123.39 1b50 s GLN 48 Ca -0.09 1.88 -0.03 0.00 -2.50 0.00 0.00 55.36 54.62 1b50 s GLN 48 Cb -0.15 -3.37 0.07 0.00 -1.64 0.00 0.00 33.01 27.91 1b50 s GLN 48 CO 0.00 -0.38 0.05 0.08 0.50 0.00 0.00 175.29 175.54 1b50 s VAL 49 N 1.39 0.55 0.43 1.34 1.01 -1.18 -4.82 120.40 119.11 1b50 s VAL 49 Ca 0.61 -0.67 -0.07 0.00 0.00 0.00 0.00 61.98 61.84 1b50 s VAL 49 Cb -0.31 -1.11 0.11 0.00 0.00 0.00 0.00 36.38 35.06 1b50 s VAL 49 CO 0.28 -0.29 0.29 0.00 0.00 0.00 0.00 175.10 175.38 1b50 n ALA 51 N -3.78 0.00 -1.41 0.00 0.00 0.25 -3.75 120.51 111.82 1b50 n ALA 51 Ca -0.06 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.09 1b50 n ALA 51 Cb 0.18 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.77 1b50 n ALA 51 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1b50 s ASP 52 N -0.40 3.47 -0.06 0.00 2.15 -1.26 -3.70 116.67 116.88 1b50 s ASP 52 Ca 0.00 1.15 -0.25 0.00 0.43 0.00 0.00 52.55 53.88 1b50 s ASP 52 Cb 0.00 -1.80 -0.24 0.00 -0.30 0.00 0.00 42.92 40.58 1b50 s ASP 52 CO 0.00 -2.59 1.00 1.55 -0.17 0.00 0.00 175.17 174.96 1b50 h PRO 53 N -1.52 0.15 -2.21 4.34 0.13 -1.97 -3.34 132.00 127.58 1b50 h PRO 53 Ca -0.51 -0.17 -0.66 0.00 -0.87 0.00 0.00 66.00 63.79 1b50 h PRO 53 Cb 1.31 0.05 -0.37 0.00 0.13 0.00 0.00 31.00 32.12 1b50 h PRO 53 CO 0.59 0.93 -0.08 0.43 -0.23 0.00 0.00 178.00 179.65 1b50 n SER 54 N -4.51 5.49 -4.86 1.44 7.64 -1.26 -4.84 113.62 112.72 1b50 n SER 54 Ca -0.10 -3.70 -0.31 0.00 1.01 0.00 0.00 58.87 55.77 1b50 n SER 54 Cb 0.51 -0.76 -0.04 0.00 -1.01 0.00 0.00 64.21 62.91 1b50 n SER 54 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1b50 s GLU 55 N -3.77 3.88 -0.17 1.43 8.01 -1.26 -4.98 118.70 121.85 1b50 s GLU 55 Ca 0.46 0.59 0.14 0.00 0.01 0.00 0.00 54.97 56.17 1b50 s GLU 55 Cb 0.27 -2.39 -0.24 0.00 -4.31 0.00 0.00 34.13 27.46 1b50 s GLU 55 CO -0.15 0.02 0.18 -1.91 0.01 0.00 0.00 175.26 173.42 1b50 n GLU 56 N -0.94 0.68 0.23 1.61 0.00 -1.26 -3.95 120.64 117.01 1b50 n GLU 56 Ca 0.03 0.09 0.12 0.00 0.00 0.00 0.00 57.16 57.41 1b50 n GLU 56 Cb 0.54 -1.59 0.44 0.00 0.00 0.00 0.00 31.44 30.82 1b50 n GLU 56 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.13 177.24 1b50 h TRP 57 N 0.00 0.00 0.00 4.31 5.08 -1.97 -2.86 115.95 120.51 1b50 h TRP 57 Ca -0.49 0.00 -0.17 0.00 1.08 0.00 0.00 58.89 59.31 1b50 h TRP 57 Cb 2.15 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 28.28 1b50 h TRP 57 CO 0.01 0.12 -0.95 0.28 -1.28 0.00 0.00 178.44 176.62 1b50 h VAL 58 N 0.00 1.05 -0.65 0.12 2.07 -1.94 -3.13 116.25 113.77 1b50 h VAL 58 Ca -0.00 -2.58 -0.00 0.00 0.82 0.00 0.00 66.70 64.93 1b50 h VAL 58 Cb 0.78 2.47 -0.03 0.00 -1.52 0.00 0.00 31.29 32.99 1b50 h VAL 58 CO 0.02 0.60 0.40 1.56 0.02 0.00 0.00 177.57 180.16 1b50 h GLN 59 N 0.00 0.86 -0.19 1.57 1.08 -1.63 0.22 115.11 117.03 1b50 h GLN 59 Ca -0.06 -0.07 -0.10 0.00 -1.45 0.00 0.00 58.65 56.97 1b50 h GLN 59 Cb 1.60 -0.19 -0.00 0.00 -0.05 0.00 0.00 27.48 28.84 1b50 h GLN 59 CO 0.08 0.59 -0.27 -0.22 -0.95 0.00 0.00 178.83 178.07 1b50 h LYS 60 N 0.88 0.52 0.00 1.46 1.63 -1.57 -2.68 116.57 116.81 1b50 h LYS 60 Ca 0.23 -0.30 0.00 0.00 -0.85 0.00 0.00 60.65 59.73 1b50 h LYS 60 Cb -0.06 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.60 1b50 h LYS 60 CO -0.05 0.90 0.00 1.88 -3.45 0.00 0.00 179.45 178.73 1b50 h TYR 61 N 0.18 0.00 0.00 1.91 0.05 -1.30 -1.37 116.97 116.44 1b50 h TYR 61 Ca 0.02 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.80 1b50 h TYR 61 Cb 0.84 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.58 1b50 h TYR 61 CO 0.09 0.00 0.00 0.28 -1.05 0.00 0.00 178.16 177.48 1b50 h VAL 62 N 0.00 0.00 -0.81 -2.88 2.07 -0.24 -3.17 116.25 111.23 1b50 h VAL 62 Ca 0.00 -0.57 0.13 0.00 0.82 0.00 0.00 66.70 67.08 1b50 h VAL 62 Cb 0.39 1.56 -0.14 0.00 -1.52 0.00 0.00 31.29 31.58 1b50 h VAL 62 CO 0.00 0.00 -0.34 -1.28 0.02 0.00 0.00 177.57 175.97 1b50 h SER 63 N 0.00 -1.24 -2.63 0.57 0.87 -1.23 -1.10 113.55 108.79 1b50 h SER 63 Ca 0.00 0.27 -0.76 0.00 -1.23 0.00 0.00 61.79 60.07 1b50 h SER 63 Cb 0.58 0.65 -0.21 0.00 -0.44 0.00 0.00 62.40 62.98 1b50 h SER 63 CO 0.00 -0.29 1.06 -1.81 -0.53 0.00 0.00 176.83 175.25 1b50 s ASP 64 N -5.26 7.15 0.58 6.23 1.11 -1.20 -5.01 116.67 120.27 1b50 s ASP 64 Ca -0.14 -3.18 -0.02 0.00 0.18 0.00 0.00 52.55 49.39 1b50 s ASP 64 Cb 0.19 -2.34 0.03 0.00 1.07 0.00 0.00 42.92 41.87 1b50 s ASP 64 CO 0.71 -0.60 0.06 0.18 1.18 0.00 0.00 175.17 176.70 1b50 n LEU 65 N 4.70 0.00 0.00 1.23 4.77 -0.42 -4.59 117.00 122.69 1b50 n LEU 65 Ca 0.32 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 1b50 n LEU 65 Cb 0.42 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1b50 n LEU 65 CO 0.57 -1.42 0.00 -0.62 -1.33 0.00 0.00 177.39 174.59 1b50 n GLU 66 N -1.11 -1.26 -0.36 3.23 1.02 -1.26 -4.74 120.64 116.16 1b50 n GLU 66 Ca 0.01 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.17 1b50 n GLU 66 Cb 0.04 0.00 0.08 0.00 -0.02 0.00 0.00 31.44 31.54 1b50 n GLU 66 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1b50 h LEU 67 N 0.00 -1.19 -7.15 -4.62 6.46 -1.91 -3.43 115.31 103.47 1b50 h LEU 67 Ca 0.00 0.30 -0.05 0.00 -0.12 0.00 0.00 57.88 58.01 1b50 h LEU 67 Cb 0.00 0.68 -0.15 0.00 -0.73 0.00 0.00 40.66 40.46 1b50 h LEU 67 CO 0.00 -0.30 0.08 -0.44 -0.62 0.00 0.00 178.44 177.16 1b50 s SER 68 N -5.31 -0.48 0.00 1.25 0.01 -1.26 -5.16 113.70 102.75 1b50 s SER 68 Ca -0.14 0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.28 1b50 s SER 68 Cb 0.23 0.52 0.00 0.00 0.21 0.00 0.00 66.02 66.98 1b50 s SER 68 CO 0.74 -0.77 0.00 0.00 0.41 0.00 0.00 173.24 173.62