#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b50 h LEU 2 N 0.00 0.00 -7.29 -3.43 6.46 -2.12 -3.32 115.31 105.62 1b50 h LEU 2 Ca 0.00 0.00 -0.75 0.00 -0.12 0.00 0.00 57.88 57.01 1b50 h LEU 2 Cb 0.00 0.00 -0.17 0.00 -0.73 0.00 0.00 40.66 39.76 1b50 h LEU 2 CO 0.00 0.07 1.54 0.00 -0.62 0.00 0.00 178.44 179.44 1b50 n ALA 3 N -2.18 4.40 -1.38 1.25 0.00 -1.26 -5.00 120.51 116.33 1b50 n ALA 3 Ca -0.01 -4.29 -0.29 0.00 0.00 0.00 0.00 53.44 48.85 1b50 n ALA 3 Cb 0.25 -3.00 0.14 0.00 0.00 0.00 0.00 19.45 16.84 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 1.01 1.56 0.00 0.00 0.00 -1.25 -5.07 121.76 118.01 1b50 s ALA 4 Ca 0.41 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 52.01 1b50 s ALA 4 Cb 0.01 -3.09 0.00 0.00 0.00 0.00 0.00 23.12 20.04 1b50 s ALA 4 CO 0.00 -2.38 0.00 -0.40 0.00 0.00 0.00 175.76 172.98 1b50 n ASP 5 N -3.86 0.00 -1.15 0.00 5.75 -1.26 -5.12 116.55 110.91 1b50 n ASP 5 Ca 0.06 -0.98 0.00 0.00 -0.01 0.00 0.00 54.79 53.86 1b50 n ASP 5 Cb 0.58 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.67 1b50 n ASP 5 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 1b50 n THR 6 N 0.00 -2.96 -1.47 2.12 -1.04 -1.26 -4.98 114.28 104.70 1b50 n THR 6 Ca 0.00 1.35 -0.18 0.00 -2.04 0.00 0.00 64.05 63.18 1b50 n THR 6 Cb 0.00 -2.03 0.13 0.00 -1.82 0.00 0.00 70.33 66.61 1b50 n THR 6 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1b50 n PRO 7 N -1.73 -1.02 -2.83 -2.82 -0.04 -1.26 -4.96 135.00 120.33 1b50 n PRO 7 Ca 0.00 -1.25 -0.43 0.00 -0.04 0.00 0.00 63.50 61.78 1b50 n PRO 7 Cb 0.20 -0.87 -0.03 0.00 -0.04 0.00 0.00 33.50 32.76 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 -2.72 4.38 0.05 0.52 2.01 -1.26 -5.00 115.64 113.63 1b50 s THR 8 Ca 0.46 -0.79 -0.31 0.00 0.31 0.00 0.00 61.69 61.37 1b50 s THR 8 Cb -0.02 -4.78 -0.07 0.00 0.01 0.00 0.00 72.50 67.65 1b50 s THR 8 CO 0.33 -1.56 1.49 0.00 -0.69 0.00 0.00 174.62 174.19 1b50 s ALA 9 N 3.79 3.63 -0.04 7.40 0.00 -1.26 -4.95 121.76 130.33 1b50 s ALA 9 Ca 0.29 1.05 -0.02 0.00 0.00 0.00 0.00 51.96 53.28 1b50 s ALA 9 Cb -0.10 -3.62 0.02 0.00 0.00 0.00 0.00 23.12 19.42 1b50 s ALA 9 CO 0.01 -0.91 0.10 0.00 0.00 0.00 0.00 175.76 174.96 1b50 n PHE 12 N 9.33 0.00 -3.55 0.00 3.72 -1.26 -4.71 117.46 120.99 1b50 n PHE 12 Ca 0.09 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.47 1b50 n PHE 12 Cb 0.49 -0.03 -0.05 0.00 -0.94 0.00 0.00 39.48 38.95 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 -2.99 -0.67 0.24 4.37 0.01 -1.26 -5.17 113.70 108.22 1b50 s SER 13 Ca 0.09 0.99 0.03 0.00 1.31 0.00 0.00 55.95 58.36 1b50 s SER 13 Cb 0.16 1.56 0.03 0.00 0.21 0.00 0.00 66.02 67.99 1b50 s SER 13 CO 0.84 -0.15 0.26 -1.22 0.41 0.00 0.00 173.24 173.39 1b50 n TYR 14 N 4.52 -2.02 -3.31 2.43 4.01 -1.26 -4.71 117.16 116.83 1b50 n TYR 14 Ca -0.14 -0.93 -0.19 0.00 -0.16 0.00 0.00 57.90 56.49 1b50 n TYR 14 Cb 0.54 -0.21 -0.00 0.00 -0.31 0.00 0.00 39.34 39.36 1b50 n TYR 14 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 1b50 s THR 15 N -0.78 3.32 -0.14 -0.72 -1.32 -1.11 -4.98 115.64 109.90 1b50 s THR 15 Ca 0.20 -1.09 -0.17 0.00 -1.21 0.00 0.00 61.69 59.43 1b50 s THR 15 Cb -0.02 -3.14 -0.14 0.00 -1.51 0.00 0.00 72.50 67.69 1b50 s THR 15 CO 0.13 -0.06 0.32 0.28 -2.21 0.00 0.00 174.62 173.07 1b50 h SER 16 N 0.83 0.00 -3.22 8.08 0.02 -1.98 -3.44 113.55 113.84 1b50 h SER 16 Ca -0.42 -0.49 -0.55 0.00 -0.84 0.00 0.00 61.79 59.48 1b50 h SER 16 Cb 1.27 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.78 1b50 h SER 16 CO 0.50 0.93 0.58 -0.13 -1.14 0.00 0.00 176.83 177.57 1b50 s ARG 17 N -2.07 4.42 0.15 3.45 0.52 -1.26 -5.02 118.95 119.15 1b50 s ARG 17 Ca -0.15 1.53 -0.03 0.00 -0.52 0.00 0.00 55.73 56.56 1b50 s ARG 17 Cb 0.00 -3.51 0.04 0.00 0.52 0.00 0.00 34.95 32.00 1b50 s ARG 17 CO 0.42 -0.31 0.15 1.04 0.02 0.00 0.00 175.30 176.61 1b50 n GLN 18 N 4.79 -1.04 -3.55 3.54 1.13 -1.26 -5.04 117.38 115.94 1b50 n GLN 18 Ca 0.09 -0.24 -0.29 0.00 -1.94 0.00 0.00 57.00 54.62 1b50 n GLN 18 Cb 0.48 -0.21 -0.14 0.00 0.11 0.00 0.00 30.24 30.48 1b50 n GLN 18 CO 0.00 0.00 0.00 0.96 -1.44 0.00 0.00 177.06 176.58 1b50 s ILE 19 N -1.29 0.15 1.06 5.09 -0.00 -1.26 -5.13 121.20 119.82 1b50 s ILE 19 Ca 0.09 -1.11 -0.18 0.00 -0.00 0.00 0.00 60.65 59.45 1b50 s ILE 19 Cb -0.01 -1.13 0.27 0.00 -0.00 0.00 0.00 42.46 41.59 1b50 s ILE 19 CO 0.07 -0.79 0.76 -0.81 -0.00 0.00 0.00 174.94 174.18 1b50 n PRO 20 N 4.87 -3.54 0.00 0.37 -0.04 -1.26 -4.64 135.00 130.76 1b50 n PRO 20 Ca -0.01 -1.25 0.00 0.00 -0.04 0.00 0.00 63.50 62.20 1b50 n PRO 20 Cb 0.41 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 1b50 n PRO 20 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1b50 n GLN 21 N -4.59 0.75 0.04 0.54 1.13 -1.26 -2.49 117.38 111.50 1b50 n GLN 21 Ca 0.11 0.00 -0.22 0.00 -1.94 0.00 0.00 57.00 54.95 1b50 n GLN 21 Cb 0.47 -1.16 -0.14 0.00 0.11 0.00 0.00 30.24 29.51 1b50 n GLN 21 CO 0.00 0.00 0.00 -0.97 -1.44 0.00 0.00 177.06 174.65 1b50 h ASN 22 N 0.10 0.53 0.00 1.08 -0.73 -2.03 -3.39 115.58 111.13 1b50 h ASN 22 Ca 0.00 -0.93 -0.12 0.00 1.87 0.00 0.00 56.30 57.12 1b50 h ASN 22 Cb 0.16 -0.17 -0.02 0.00 0.27 0.00 0.00 38.32 38.55 1b50 h ASN 22 CO 0.00 1.81 -1.72 0.49 -0.37 0.00 0.00 177.43 177.63 1b50 n PHE 23 N -3.54 0.00 -0.91 0.67 3.72 -1.21 -4.98 117.46 111.21 1b50 n PHE 23 Ca -0.27 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 56.83 1b50 n PHE 23 Cb 1.06 -0.46 0.18 0.00 -0.94 0.00 0.00 39.48 39.33 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 -2.58 2.31 0.02 4.37 1.01 -1.04 -1.03 121.20 124.25 1b50 s ILE 24 Ca -0.05 0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.70 1b50 s ILE 24 Cb 0.06 -2.37 0.00 0.00 0.01 0.00 0.00 42.46 40.16 1b50 s ILE 24 CO 0.52 -0.13 0.00 0.00 0.00 0.00 0.00 174.94 175.33 1b50 n ALA 25 N -4.29 0.00 -2.48 9.38 0.00 -1.13 -4.82 120.51 117.16 1b50 n ALA 25 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1b50 n ALA 25 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 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 -2.53 0.00 0.00 0.00 0.00 -1.21 -4.97 120.51 111.80 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 -0.16 0.00 -3.59 0.00 4.11 -1.26 -3.65 117.16 112.61 1b50 n TYR 27 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.90 57.78 1b50 n TYR 27 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 39.34 39.28 1b50 n TYR 27 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.86 176.80 1b50 s PHE 28 N -2.00 -0.46 -0.94 -3.48 0.08 0.13 -4.89 117.98 106.41 1b50 s PHE 28 Ca 0.00 0.92 -0.01 0.00 0.12 0.00 0.00 56.93 57.95 1b50 s PHE 28 Cb 0.00 0.41 0.33 0.00 -0.57 0.00 0.00 43.02 43.20 1b50 s PHE 28 CO 0.00 -0.36 1.88 -0.85 -0.10 0.00 0.00 175.22 175.79 1b50 n GLU 29 N 1.25 4.30 0.00 0.44 -0.00 -1.26 -0.66 120.64 124.71 1b50 n GLU 29 Ca -0.12 -4.22 0.00 0.00 -0.00 0.00 0.00 57.16 52.82 1b50 n GLU 29 Cb 0.57 -2.38 0.00 0.00 -0.00 0.00 0.00 31.44 29.63 1b50 n GLU 29 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 1b50 n THR 30 N -0.26 0.00 -3.82 3.84 -2.24 -1.26 -4.90 114.28 105.64 1b50 n THR 30 Ca 0.49 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 62.22 1b50 n THR 30 Cb 0.26 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.48 1b50 n THR 30 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1b50 s SER 31 N -4.00 -0.18 0.94 3.42 0.01 -0.96 -4.81 113.70 108.12 1b50 s SER 31 Ca 0.00 -0.61 0.00 0.00 1.31 0.00 0.00 55.95 56.65 1b50 s SER 31 Cb 0.00 0.65 0.00 0.00 0.21 0.00 0.00 66.02 66.88 1b50 s SER 31 CO 0.00 -1.22 0.00 -1.20 0.41 0.00 0.00 173.24 171.23 1b50 n SER 32 N -0.62 -0.34 -1.37 2.44 7.64 -1.26 -3.89 113.62 116.22 1b50 n SER 32 Ca -0.05 -0.77 -0.15 0.00 1.01 0.00 0.00 58.87 58.91 1b50 n SER 32 Cb 0.60 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.73 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 -1.11 -1.38 0.00 1.43 3.00 -1.26 -4.55 117.38 113.51 1b50 n GLN 33 Ca 0.00 0.89 0.00 0.00 -0.01 0.00 0.00 57.00 57.88 1b50 n GLN 33 Cb 0.00 -5.16 0.00 0.00 0.00 0.00 0.00 30.24 25.08 1b50 n GLN 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1b50 n SER 35 N 0.00 -0.68 -4.72 0.00 2.88 -1.26 -4.66 113.62 105.18 1b50 n SER 35 Ca 0.00 -0.23 -0.34 0.00 -1.33 0.00 0.00 58.87 56.96 1b50 n SER 35 Cb 0.00 -0.48 -0.08 0.00 -0.75 0.00 0.00 64.21 62.90 1b50 n SER 35 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1b50 s LYS 36 N 5.60 3.00 -0.04 -1.46 -0.14 -1.26 -5.04 119.74 120.40 1b50 s LYS 36 Ca 0.98 -0.44 -0.00 0.00 -1.36 0.00 0.00 55.97 55.15 1b50 s LYS 36 Cb -0.72 -2.82 -0.00 0.00 -1.68 0.00 0.00 37.83 32.61 1b50 s LYS 36 CO 0.40 0.68 -0.00 -1.00 -0.76 0.00 0.00 175.35 174.67 1b50 h PRO 37 N 4.74 0.00 -6.21 -1.68 0.13 -1.88 -3.45 132.00 123.64 1b50 h PRO 37 Ca -0.50 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.34 1b50 h PRO 37 Cb 1.19 0.00 0.16 0.00 0.13 0.00 0.00 31.00 32.48 1b50 h PRO 37 CO 0.57 0.00 -0.55 0.41 -0.23 0.00 0.00 178.00 178.20 1b50 n GLY 38 N 1.92 -2.55 3.28 1.56 0.00 -1.25 -4.58 105.19 103.57 1b50 n GLY 38 Ca -0.00 -0.82 -0.18 0.00 0.00 0.00 0.00 46.02 45.02 1b50 n GLY 38 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1b50 s VAL 39 N -2.11 1.50 0.07 1.61 -7.23 -0.51 -4.31 120.40 109.42 1b50 s VAL 39 Ca 0.41 -1.89 -0.07 0.00 -1.81 0.00 0.00 61.98 58.62 1b50 s VAL 39 Cb -0.07 -1.73 -0.05 0.00 0.56 0.00 0.00 36.38 35.09 1b50 s VAL 39 CO 0.43 -0.47 0.34 -0.63 -0.31 0.00 0.00 175.10 174.46 1b50 s ILE 40 N -2.41 5.20 0.32 -0.62 1.09 0.17 -0.39 121.20 124.56 1b50 s ILE 40 Ca 0.14 0.21 0.00 0.00 -1.10 0.00 0.00 60.65 59.90 1b50 s ILE 40 Cb -0.03 -3.61 0.00 0.00 -1.06 0.00 0.00 42.46 37.76 1b50 s ILE 40 CO 0.04 0.25 0.02 0.49 -0.10 0.00 0.00 174.94 175.65 1b50 n PHE 41 N 0.75 0.57 -3.09 3.97 3.72 -1.26 0.17 117.46 122.28 1b50 n PHE 41 Ca -0.08 -1.54 -0.20 0.00 -0.05 0.00 0.00 57.45 55.58 1b50 n PHE 41 Cb 0.52 -0.22 -0.04 0.00 -0.94 0.00 0.00 39.48 38.80 1b50 n PHE 41 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1b50 n LEU 42 N 0.00 -0.67 0.00 4.37 4.77 -1.24 -3.96 117.00 120.27 1b50 n LEU 42 Ca -0.12 -4.31 0.00 0.00 -0.03 0.00 0.00 56.01 51.55 1b50 n LEU 42 Cb 0.40 0.68 0.00 0.00 -2.33 0.00 0.00 43.42 42.17 1b50 n LEU 42 CO 0.22 2.04 0.00 0.35 -1.33 0.00 0.00 177.39 178.66 1b50 n THR 43 N 1.60 0.00 0.39 -5.08 -2.24 -1.26 -2.85 114.28 104.84 1b50 n THR 43 Ca 0.19 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.09 1b50 n THR 43 Cb 0.55 0.00 0.18 0.00 -2.10 0.00 0.00 70.33 68.97 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 0.00 -0.88 -0.78 1.79 -1.40 -3.24 116.57 112.06 1b50 h LYS 44 Ca 0.00 0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 58.29 1b50 h LYS 44 Cb 0.00 0.00 -0.11 0.00 -1.58 0.00 0.00 32.23 30.54 1b50 h LYS 44 CO 0.00 0.00 0.23 0.54 -1.08 0.00 0.00 179.45 179.14 1b50 n ARG 45 N -2.51 2.54 -2.65 3.15 5.12 -1.26 -4.85 116.66 116.19 1b50 n ARG 45 Ca 0.03 -1.94 -0.07 0.00 -1.93 0.00 0.00 57.85 53.94 1b50 n ARG 45 Cb 0.48 -1.85 -0.01 0.00 -1.16 0.00 0.00 32.46 29.93 1b50 n ARG 45 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1b50 n SER 46 N -0.12 -2.05 -4.11 0.55 7.64 -1.22 -4.85 113.62 109.45 1b50 n SER 46 Ca 0.29 0.26 -0.36 0.00 1.01 0.00 0.00 58.87 60.06 1b50 n SER 46 Cb 1.07 -1.83 -0.11 0.00 -1.01 0.00 0.00 64.21 62.33 1b50 n SER 46 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1b50 s ARG 47 N -5.20 2.21 0.57 1.43 0.52 -1.26 -4.95 118.95 112.27 1b50 s ARG 47 Ca 0.07 -2.08 -0.19 0.00 -0.52 0.00 0.00 55.73 53.01 1b50 s ARG 47 Cb -0.04 -3.64 -0.06 0.00 0.52 0.00 0.00 34.95 31.72 1b50 s ARG 47 CO 0.09 -1.11 0.90 0.00 0.02 0.00 0.00 175.30 175.19 1b50 n GLN 48 N 4.20 0.91 0.00 3.54 -0.00 -1.25 -4.26 117.38 120.52 1b50 n GLN 48 Ca 0.01 0.35 0.00 0.00 -0.00 0.00 0.00 57.00 57.36 1b50 n GLN 48 Cb 0.40 -2.07 0.00 0.00 -0.00 0.00 0.00 30.24 28.57 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 -1.52 0.20 -1.40 -0.39 0.31 -1.26 -4.88 118.33 109.38 1b50 n VAL 49 Ca 0.13 -0.40 0.18 0.00 -0.01 0.00 0.00 64.34 64.24 1b50 n VAL 49 Cb 0.46 1.16 -0.06 0.00 -0.91 0.00 0.00 33.84 34.50 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 -2.86 -1.95 1.07 0.00 0.00 0.48 -4.42 121.76 114.08 1b50 s ALA 51 Ca 0.00 1.87 -0.21 0.00 0.00 0.00 0.00 51.96 53.62 1b50 s ALA 51 Cb 0.00 -1.35 0.02 0.00 0.00 0.00 0.00 23.12 21.79 1b50 s ALA 51 CO 0.00 -0.25 -0.47 -0.25 0.00 0.00 0.00 175.76 174.79 1b50 n ASP 52 N 2.16 -2.61 -4.62 0.00 9.92 -1.26 -1.43 116.55 118.70 1b50 n ASP 52 Ca -0.13 -0.11 -0.43 0.00 -0.53 0.00 0.00 54.79 53.59 1b50 n ASP 52 Cb 0.56 -0.79 -0.02 0.00 -0.64 0.00 0.00 41.12 40.23 1b50 n ASP 52 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1b50 s PRO 53 N -2.97 3.87 -0.72 -0.24 0.04 -1.26 -3.54 135.00 130.18 1b50 s PRO 53 Ca 0.47 0.96 -0.05 0.00 0.04 0.00 0.00 61.00 62.42 1b50 s PRO 53 Cb -0.04 -3.86 0.01 0.00 0.04 0.00 0.00 34.50 30.65 1b50 s PRO 53 CO 0.62 -1.17 0.63 0.43 0.04 0.00 0.00 177.00 177.55 1b50 n SER 54 N 7.56 -4.33 -4.74 6.66 7.64 -1.26 -4.94 113.62 120.22 1b50 n SER 54 Ca 0.13 -0.29 -0.42 0.00 1.01 0.00 0.00 58.87 59.31 1b50 n SER 54 Cb 0.48 -2.91 -0.02 0.00 -1.01 0.00 0.00 64.21 60.74 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 -5.70 4.17 0.22 1.43 0.41 -1.23 -4.69 118.70 113.31 1b50 s GLU 55 Ca 0.31 2.49 -0.16 0.00 -0.41 0.00 0.00 54.97 57.20 1b50 s GLU 55 Cb -0.14 -3.08 0.25 0.00 -1.78 0.00 0.00 34.13 29.38 1b50 s GLU 55 CO 0.39 -0.61 1.47 -1.91 -0.49 0.00 0.00 175.26 174.10 1b50 n GLU 56 N 3.00 -0.21 0.03 1.61 2.13 -1.26 0.74 120.64 126.68 1b50 n GLU 56 Ca 0.11 1.46 -0.04 0.00 0.66 0.00 0.00 57.16 59.35 1b50 n GLU 56 Cb 0.38 -2.16 0.19 0.00 0.27 0.00 0.00 31.44 30.12 1b50 n GLU 56 CO 0.00 0.00 0.00 0.11 -0.41 0.00 0.00 177.13 176.83 1b50 h TRP 57 N 0.00 0.51 0.44 4.31 5.08 -1.98 -3.28 115.95 121.02 1b50 h TRP 57 Ca 0.34 -0.12 -0.02 0.00 1.08 0.00 0.00 58.89 60.17 1b50 h TRP 57 Cb 0.58 -0.12 0.00 0.00 -3.00 0.00 0.00 29.16 26.62 1b50 h TRP 57 CO -0.82 0.70 -0.21 0.28 -1.28 0.00 0.00 178.44 177.11 1b50 h VAL 58 N 0.39 0.00 -0.84 0.12 2.07 -0.02 -2.60 116.25 115.36 1b50 h VAL 58 Ca 0.05 -0.42 0.30 0.00 0.82 0.00 0.00 66.70 67.45 1b50 h VAL 58 Cb 0.73 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.41 1b50 h VAL 58 CO 0.06 0.00 0.53 0.00 0.02 0.00 0.00 177.57 178.18 1b50 n GLN 59 N -4.76 -0.02 0.01 1.57 1.13 -0.01 0.27 117.38 115.57 1b50 n GLN 59 Ca -0.07 0.80 -0.12 0.00 -1.94 0.00 0.00 57.00 55.67 1b50 n GLN 59 Cb 0.23 -1.56 -0.09 0.00 0.11 0.00 0.00 30.24 28.93 1b50 n GLN 59 CO 0.00 0.00 0.00 -0.22 -1.44 0.00 0.00 177.06 175.40 1b50 h LYS 60 N 0.00 -0.10 0.47 -1.09 1.63 -1.60 -0.73 116.57 115.15 1b50 h LYS 60 Ca 0.55 0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 60.34 1b50 h LYS 60 Cb 1.75 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 33.41 1b50 h LYS 60 CO -0.32 0.45 -0.23 1.88 -3.45 0.00 0.00 179.45 177.79 1b50 h TYR 61 N -0.79 -0.59 0.00 1.91 0.05 0.42 -2.83 116.97 115.14 1b50 h TYR 61 Ca -0.01 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.76 1b50 h TYR 61 Cb 0.60 0.19 0.00 0.00 1.01 0.00 0.00 36.73 38.53 1b50 h TYR 61 CO 0.13 -0.37 0.00 0.28 -1.05 0.00 0.00 178.16 177.16 1b50 n VAL 62 N -4.78 1.33 -0.28 -2.88 0.31 0.12 -3.16 118.33 108.98 1b50 n VAL 62 Ca -0.08 0.67 0.15 0.00 -0.01 0.00 0.00 64.34 65.06 1b50 n VAL 62 Cb 0.25 -1.67 0.29 0.00 -0.91 0.00 0.00 33.84 31.80 1b50 n VAL 62 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1b50 n SER 63 N -2.02 -0.03 0.00 4.52 2.88 -0.28 -1.73 113.62 116.95 1b50 n SER 63 Ca -0.01 1.41 0.00 0.00 -1.33 0.00 0.00 58.87 58.94 1b50 n SER 63 Cb 0.03 -0.54 0.00 0.00 -0.75 0.00 0.00 64.21 62.95 1b50 n SER 63 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1b50 n ASP 64 N -5.14 0.00 -4.21 -3.46 9.92 -1.19 -3.72 116.55 108.74 1b50 n ASP 64 Ca 0.22 0.64 -0.41 0.00 -0.53 0.00 0.00 54.79 54.70 1b50 n ASP 64 Cb 0.71 -0.14 -0.07 0.00 -0.64 0.00 0.00 41.12 40.98 1b50 n ASP 64 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1b50 s LEU 65 N -2.93 5.89 -1.16 0.64 1.43 -0.71 -4.98 118.68 116.87 1b50 s LEU 65 Ca 0.00 -2.52 -0.08 0.00 -1.03 0.00 0.00 54.13 50.50 1b50 s LEU 65 Cb 0.00 -2.02 0.25 0.00 0.03 0.00 0.00 46.19 44.44 1b50 s LEU 65 CO 0.00 -0.54 1.48 1.21 0.23 0.00 0.00 176.35 178.73 1b50 n GLU 66 N 4.08 3.87 0.00 1.70 2.13 -1.21 -4.74 120.64 126.47 1b50 n GLU 66 Ca 0.05 -4.17 0.00 0.00 0.66 0.00 0.00 57.16 53.70 1b50 n GLU 66 Cb 0.42 -2.71 0.00 0.00 0.27 0.00 0.00 31.44 29.42 1b50 n GLU 66 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1b50 n LEU 67 N 2.97 0.00 -4.73 4.31 -0.00 -1.26 -4.95 117.00 113.34 1b50 n LEU 67 Ca 0.31 0.00 -0.42 0.00 -0.00 0.00 0.00 56.01 55.90 1b50 n LEU 67 Cb 0.37 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.76 1b50 n LEU 67 CO 0.67 0.00 1.03 -0.94 -0.00 0.00 0.00 177.39 178.15 1b50 s SER 68 N 0.00 6.84 0.00 1.96 1.04 -1.26 -5.17 113.70 117.11 1b50 s SER 68 Ca 0.00 2.41 0.00 0.00 0.48 0.00 0.00 55.95 58.84 1b50 s SER 68 Cb 0.00 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.52 1b50 s SER 68 CO 0.00 -0.59 0.00 0.00 0.98 0.00 0.00 173.24 173.63