#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1byo s GLU 2 N 0.00 2.35 -0.08 0.00 2.12 -1.26 -1.34 118.70 120.49 1byo s GLU 2 Ca 0.00 -0.85 0.03 0.00 0.36 0.00 0.00 54.97 54.50 1byo s GLU 2 Cb 0.00 -2.17 0.01 0.00 0.26 0.00 0.00 34.13 32.23 1byo s GLU 2 CO 0.00 0.53 -0.16 0.08 -0.54 0.00 0.00 175.26 175.17 1byo s VAL 3 N -0.52 1.42 0.01 3.70 1.01 0.03 -4.64 120.40 121.40 1byo s VAL 3 Ca 0.07 -0.64 -0.16 0.00 0.00 0.00 0.00 61.98 61.25 1byo s VAL 3 Cb -0.11 -1.27 -0.06 0.00 0.00 0.00 0.00 36.38 34.94 1byo s VAL 3 CO 0.01 0.42 0.45 -0.76 0.00 0.00 0.00 175.10 175.21 1byo s LEU 4 N 0.63 4.47 -0.67 3.92 1.43 0.35 -0.41 118.68 128.39 1byo s LEU 4 Ca -0.15 1.01 -0.19 0.00 -1.03 0.00 0.00 54.13 53.78 1byo s LEU 4 Cb -0.16 -2.66 0.12 0.00 0.03 0.00 0.00 46.19 43.51 1byo s LEU 4 CO 0.04 0.29 0.80 -0.76 0.23 0.00 0.00 176.35 176.95 1byo s LEU 5 N -0.94 5.37 0.00 1.79 1.43 0.20 -1.60 118.68 124.93 1byo s LEU 5 Ca 0.25 -1.61 0.00 0.00 -1.03 0.00 0.00 54.13 51.74 1byo s LEU 5 Cb -0.17 -2.32 0.00 0.00 0.03 0.00 0.00 46.19 43.73 1byo s LEU 5 CO 0.14 -1.09 0.00 0.61 0.23 0.00 0.00 176.35 176.24 1byo n GLY 6 N 5.19 1.73 3.93 -3.19 0.00 0.04 -1.16 105.19 111.72 1byo n GLY 6 Ca -0.01 -1.65 -0.26 0.00 0.00 0.00 0.00 46.02 44.10 1byo n GLY 6 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1byo s SER 7 N -0.23 6.36 0.19 1.61 0.15 -0.03 -4.10 113.70 117.64 1byo s SER 7 Ca 0.00 0.47 -0.23 0.00 0.70 0.00 0.00 55.95 56.89 1byo s SER 7 Cb 0.00 -2.04 0.10 0.00 -1.71 0.00 0.00 66.02 62.37 1byo s SER 7 CO 0.00 -0.17 1.56 0.77 1.20 0.00 0.00 173.24 176.59 1byo h SER 8 N 1.41 -1.61 -3.45 5.45 4.64 -1.94 -2.81 113.55 115.24 1byo h SER 8 Ca -0.49 0.29 -0.58 0.00 -0.47 0.00 0.00 61.79 60.54 1byo h SER 8 Cb 1.20 0.77 -0.08 0.00 -0.31 0.00 0.00 62.40 63.98 1byo h SER 8 CO 0.65 -0.29 0.74 1.51 -0.87 0.00 0.00 176.83 178.56 1byo s ASP 9 N -5.31 6.77 0.00 4.97 -4.77 -1.26 -4.85 116.67 112.22 1byo s ASP 9 Ca -0.14 0.76 0.00 0.00 -3.30 0.00 0.00 52.55 49.87 1byo s ASP 9 Cb 0.16 -2.51 0.00 0.00 -1.09 0.00 0.00 42.92 39.48 1byo s ASP 9 CO 0.67 -0.91 0.00 0.61 0.70 0.00 0.00 175.17 176.24 1byo n GLY 10 N 4.23 0.00 3.66 2.12 0.00 -1.06 -4.83 105.19 109.31 1byo n GLY 10 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1byo n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1byo n GLY 11 N 0.00 0.26 2.84 -0.02 0.00 -1.24 -4.43 105.19 102.60 1byo n GLY 11 Ca 0.00 0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 1byo n GLY 11 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1byo n LEU 12 N 0.66 6.78 -4.13 0.99 4.32 -1.26 -0.85 117.00 123.50 1byo n LEU 12 Ca 0.07 -4.76 -0.10 0.00 -0.02 0.00 0.00 56.01 51.19 1byo n LEU 12 Cb 0.37 -1.43 -0.09 0.00 -1.62 0.00 0.00 43.42 40.64 1byo n LEU 12 CO 0.60 1.50 -0.22 0.00 -1.22 0.00 0.00 177.39 178.05 1byo s ALA 13 N -0.29 0.78 0.06 -1.18 0.00 -1.26 -3.72 121.76 116.15 1byo s ALA 13 Ca 0.40 -1.43 -0.21 0.00 0.00 0.00 0.00 51.96 50.71 1byo s ALA 13 Cb 0.10 1.02 -0.06 0.00 0.00 0.00 0.00 23.12 24.17 1byo s ALA 13 CO 0.01 -0.55 0.63 -0.06 0.00 0.00 0.00 175.76 175.79 1byo s PHE 14 N -4.07 3.77 -0.26 0.00 0.08 -1.26 -0.78 117.98 115.45 1byo s PHE 14 Ca 0.27 1.33 0.01 0.00 0.12 0.00 0.00 56.93 58.66 1byo s PHE 14 Cb 0.06 -2.62 0.07 0.00 -0.57 0.00 0.00 43.02 39.97 1byo s PHE 14 CO 0.05 0.46 -0.01 0.08 -0.10 0.00 0.00 175.22 175.69 1byo s VAL 15 N -0.67 1.55 0.62 -0.44 1.01 -0.63 -2.35 120.40 119.49 1byo s VAL 15 Ca 0.32 -1.44 -0.06 0.00 0.00 0.00 0.00 61.98 60.80 1byo s VAL 15 Cb -0.20 -1.93 0.02 0.00 0.00 0.00 0.00 36.38 34.28 1byo s VAL 15 CO 0.20 -0.28 0.92 -2.16 0.00 0.00 0.00 175.10 173.78 1byo s PRO 16 N 1.35 2.72 0.00 2.72 0.04 -1.26 -0.50 135.00 140.07 1byo s PRO 16 Ca -0.00 -0.10 0.23 0.00 0.04 0.00 0.00 61.00 61.17 1byo s PRO 16 Cb -0.19 -2.25 0.17 0.00 0.04 0.00 0.00 34.50 32.27 1byo s PRO 16 CO -0.10 -0.84 1.19 -1.13 0.04 0.00 0.00 177.00 176.16 1byo n SER 17 N -2.66 1.03 -3.75 6.66 3.41 -0.99 -4.80 113.62 112.52 1byo n SER 17 Ca 0.05 -0.84 -0.27 0.00 -0.26 0.00 0.00 58.87 57.55 1byo n SER 17 Cb 0.58 0.56 -0.17 0.00 -0.26 0.00 0.00 64.21 64.92 1byo n SER 17 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1byo s ASP 18 N -2.84 2.60 0.10 4.04 2.15 -1.26 -0.08 116.67 121.38 1byo s ASP 18 Ca 0.13 -0.65 0.03 0.00 0.43 0.00 0.00 52.55 52.50 1byo s ASP 18 Cb 0.17 -0.57 -0.04 0.00 -0.30 0.00 0.00 42.92 42.19 1byo s ASP 18 CO 0.72 -0.28 -0.10 -1.48 -0.17 0.00 0.00 175.17 173.86 1byo s LEU 19 N 1.88 2.41 -0.10 -1.34 2.34 -0.55 -5.00 118.68 118.31 1byo s LEU 19 Ca 0.01 -0.82 0.03 0.00 0.06 0.00 0.00 54.13 53.40 1byo s LEU 19 Cb -0.16 -0.28 0.01 0.00 -0.56 0.00 0.00 46.19 45.20 1byo s LEU 19 CO -0.07 -0.28 -0.18 -0.44 -1.06 0.00 0.00 176.35 174.32 1byo s SER 20 N -2.46 2.53 0.39 1.48 0.01 -1.26 -1.23 113.70 113.16 1byo s SER 20 Ca 0.05 -0.45 0.04 0.00 1.31 0.00 0.00 55.95 56.90 1byo s SER 20 Cb -0.02 -1.15 -0.04 0.00 0.21 0.00 0.00 66.02 65.01 1byo s SER 20 CO -0.00 0.07 0.07 0.27 0.41 0.00 0.00 173.24 174.05 1byo s ILE 21 N 0.69 1.07 0.08 1.44 -4.36 -0.56 -4.96 121.20 114.60 1byo s ILE 21 Ca -0.12 -2.00 -0.02 0.00 -0.26 0.00 0.00 60.65 58.24 1byo s ILE 21 Cb -0.16 -2.56 -0.05 0.00 1.25 0.00 0.00 42.46 40.94 1byo s ILE 21 CO 0.03 0.00 0.27 0.00 0.24 0.00 0.00 174.94 175.47 1byo s ALA 22 N -3.14 3.92 0.06 2.27 0.00 -1.26 -1.29 121.76 122.33 1byo s ALA 22 Ca 0.27 -0.72 -0.37 0.00 0.00 0.00 0.00 51.96 51.14 1byo s ALA 22 Cb 0.06 -1.95 -0.16 0.00 0.00 0.00 0.00 23.12 21.06 1byo s ALA 22 CO 0.13 0.76 1.39 0.43 0.00 0.00 0.00 175.76 178.47 1byo n SER 23 N 0.35 1.79 0.00 0.00 7.64 -0.40 -0.58 113.62 122.41 1byo n SER 23 Ca -0.05 1.11 0.00 0.00 1.01 0.00 0.00 58.87 60.94 1byo n SER 23 Cb 0.51 -1.20 0.00 0.00 -1.01 0.00 0.00 64.21 62.51 1byo n SER 23 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1byo n GLY 24 N 2.71 0.94 3.78 0.23 0.00 0.37 -4.98 105.19 108.24 1byo n GLY 24 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 1byo n GLY 24 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1byo s GLU 25 N -0.58 3.80 -0.11 1.61 2.02 0.25 -4.87 118.70 120.82 1byo s GLU 25 Ca 0.00 1.53 -0.17 0.00 0.02 0.00 0.00 54.97 56.34 1byo s GLU 25 Cb 0.00 -2.25 -0.04 0.00 0.10 0.00 0.00 34.13 31.94 1byo s GLU 25 CO 0.00 -0.46 0.45 0.21 0.02 0.00 0.00 175.26 175.48 1byo s LYS 26 N -2.96 4.29 -0.21 1.61 2.20 -1.26 -3.44 119.74 119.97 1byo s LYS 26 Ca 0.65 0.41 -0.08 0.00 -0.36 0.00 0.00 55.97 56.60 1byo s LYS 26 Cb -0.22 -3.41 -0.04 0.00 -1.51 0.00 0.00 37.83 32.66 1byo s LYS 26 CO 0.26 0.23 0.08 0.42 -0.36 0.00 0.00 175.35 175.98 1byo s ILE 27 N 0.40 4.70 -0.30 5.43 1.01 -0.32 -0.73 121.20 131.39 1byo s ILE 27 Ca 0.25 -0.06 -0.05 0.00 0.00 0.00 0.00 60.65 60.79 1byo s ILE 27 Cb -0.15 -3.15 0.03 0.00 0.01 0.00 0.00 42.46 39.20 1byo s ILE 27 CO 0.10 0.40 0.04 -0.89 0.00 0.00 0.00 174.94 174.60 1byo s THR 28 N 0.86 3.49 -0.32 2.92 2.01 -0.45 -1.74 115.64 122.41 1byo s THR 28 Ca 0.04 -1.02 -0.23 0.00 0.31 0.00 0.00 61.69 60.79 1byo s THR 28 Cb -0.14 -2.88 0.00 0.00 0.01 0.00 0.00 72.50 69.49 1byo s THR 28 CO 0.03 -0.00 0.78 -0.36 -0.69 0.00 0.00 174.62 174.37 1byo s PHE 29 N 1.39 3.18 -0.12 4.92 0.40 0.32 -0.79 117.98 127.27 1byo s PHE 29 Ca -0.01 0.74 -0.03 0.00 -0.60 0.00 0.00 56.93 57.03 1byo s PHE 29 Cb -0.18 -3.25 -0.03 0.00 0.51 0.00 0.00 43.02 40.07 1byo s PHE 29 CO 0.00 -0.60 -0.02 0.15 0.70 0.00 0.00 175.22 175.45 1byo s LYS 30 N 2.97 3.37 -0.12 0.44 1.02 0.45 -1.37 119.74 126.50 1byo s LYS 30 Ca 0.32 -0.47 -0.29 0.00 0.02 0.00 0.00 55.97 55.54 1byo s LYS 30 Cb -0.14 -2.86 -0.04 0.00 -0.52 0.00 0.00 37.83 34.27 1byo s LYS 30 CO 0.14 0.44 1.58 1.21 -0.92 0.00 0.00 175.35 177.80 1byo s ASN 31 N -0.17 6.63 0.02 2.83 2.47 -0.74 0.61 114.94 126.59 1byo s ASN 31 Ca 0.04 1.98 -0.02 0.00 0.42 0.00 0.00 52.86 55.27 1byo s ASN 31 Cb -0.13 -2.53 -0.01 0.00 -1.45 0.00 0.00 41.25 37.13 1byo s ASN 31 CO 0.02 -0.99 -0.04 -3.20 -3.72 0.00 0.00 177.10 169.17 1byo n ASN 32 N 7.43 0.72 -3.84 -4.21 5.15 -0.31 -4.45 115.26 115.74 1byo n ASN 32 Ca 0.17 0.10 -0.09 0.00 -0.60 0.00 0.00 54.58 54.16 1byo n ASN 32 Cb 0.44 -0.29 -0.04 0.00 -0.53 0.00 0.00 39.78 39.36 1byo n ASN 32 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1byo s ALA 33 N -2.22 -0.78 -0.31 5.20 0.00 -0.77 -4.95 121.76 117.92 1byo s ALA 33 Ca -0.04 -0.43 -0.01 0.00 0.00 0.00 0.00 51.96 51.48 1byo s ALA 33 Cb 0.01 0.91 0.00 0.00 0.00 0.00 0.00 23.12 24.04 1byo s ALA 33 CO 0.05 -0.86 0.14 0.41 0.00 0.00 0.00 175.76 175.51 1byo n GLY 34 N -0.37 0.46 3.58 0.00 0.00 -1.26 -3.94 105.19 103.66 1byo n GLY 34 Ca -0.07 -0.58 -0.35 0.00 0.00 0.00 0.00 46.02 45.02 1byo n GLY 34 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1byo n PHE 35 N -3.43 0.31 -3.56 1.61 3.72 -1.26 -4.71 117.46 110.15 1byo n PHE 35 Ca -0.02 0.38 -0.20 0.00 -0.05 0.00 0.00 57.45 57.55 1byo n PHE 35 Cb 0.52 -2.03 -0.01 0.00 -0.94 0.00 0.00 39.48 37.03 1byo n PHE 35 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1byo s PRO 36 N -3.37 3.24 0.14 -1.08 0.04 -1.26 -5.10 135.00 127.60 1byo s PRO 36 Ca 0.70 -0.83 0.00 0.00 0.04 0.00 0.00 61.00 60.92 1byo s PRO 36 Cb -0.33 -2.80 -0.04 0.00 0.04 0.00 0.00 34.50 31.37 1byo s PRO 36 CO 0.53 0.14 0.02 -1.01 0.04 0.00 0.00 177.00 176.73 1byo s HIS 37 N -2.17 0.97 0.36 0.56 3.76 -0.36 -4.85 115.29 113.56 1byo s HIS 37 Ca 0.42 -1.12 -0.11 0.00 -0.15 0.00 0.00 55.06 54.09 1byo s HIS 37 Cb -0.09 -0.56 0.03 0.00 1.11 0.00 0.00 32.58 33.07 1byo s HIS 37 CO 0.32 -0.37 0.66 0.54 -0.85 0.00 0.00 174.74 175.04 1byo s ASN 38 N -3.09 0.33 -0.20 1.40 2.20 -1.26 -0.10 114.94 114.22 1byo s ASN 38 Ca 0.22 -1.24 -0.04 0.00 -0.94 0.00 0.00 52.86 50.86 1byo s ASN 38 Cb 0.07 0.77 0.06 0.00 -2.00 0.00 0.00 41.25 40.15 1byo s ASN 38 CO 0.01 -1.51 0.06 -1.81 -2.94 0.00 0.00 177.10 170.91 1byo s ASP 39 N -3.12 2.78 -0.10 3.54 1.11 -1.26 -4.14 116.67 115.48 1byo s ASP 39 Ca 0.21 -0.80 0.03 0.00 0.18 0.00 0.00 52.55 52.17 1byo s ASP 39 Cb -0.03 -0.46 0.01 0.00 1.07 0.00 0.00 42.92 43.51 1byo s ASP 39 CO 0.14 -0.34 -0.20 -0.76 1.18 0.00 0.00 175.17 175.20 1byo s LEU 40 N 1.97 1.94 0.07 1.23 1.02 -0.45 -1.20 118.68 123.26 1byo s LEU 40 Ca 0.01 -0.49 -0.23 0.00 0.02 0.00 0.00 54.13 53.44 1byo s LEU 40 Cb -0.17 -1.24 -0.06 0.00 0.02 0.00 0.00 46.19 44.74 1byo s LEU 40 CO -0.11 0.10 0.70 -0.36 0.02 0.00 0.00 176.35 176.70 1byo s PHE 41 N 0.56 3.78 -0.26 0.29 0.40 -1.26 -1.17 117.98 120.31 1byo s PHE 41 Ca -0.15 1.42 -0.29 0.00 -0.60 0.00 0.00 56.93 57.31 1byo s PHE 41 Cb -0.17 -2.71 0.00 0.00 0.51 0.00 0.00 43.02 40.66 1byo s PHE 41 CO 0.05 0.40 1.24 0.34 0.70 0.00 0.00 175.22 177.96 1byo s ASP 42 N -0.53 6.81 0.52 1.36 -1.08 0.28 -4.90 116.67 119.12 1byo s ASP 42 Ca 0.35 1.32 0.25 0.00 -0.52 0.00 0.00 52.55 53.94 1byo s ASP 42 Cb -0.20 -2.54 1.36 0.00 -1.46 0.00 0.00 42.92 40.07 1byo s ASP 42 CO 0.22 -0.94 1.98 -0.33 0.52 0.00 0.00 175.17 176.61 1byo h GLU 43 N 8.72 0.06 0.04 4.34 3.07 -1.95 -1.15 114.58 127.71 1byo h GLU 43 Ca -0.25 -0.00 -0.23 0.00 -0.50 0.00 0.00 59.36 58.37 1byo h GLU 43 Cb 1.09 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.97 1byo h GLU 43 CO 1.01 0.04 -1.12 -0.44 -1.40 0.00 0.00 179.01 177.10 1byo h ASP 44 N 0.06 0.13 -2.30 1.42 3.32 -1.97 -3.38 116.42 113.71 1byo h ASP 44 Ca 0.29 -0.14 -0.68 0.00 0.02 0.00 0.00 57.03 56.51 1byo h ASP 44 Cb 1.06 -0.04 -0.36 0.00 0.22 0.00 0.00 39.33 40.21 1byo h ASP 44 CO -0.02 1.11 0.06 -0.62 -1.72 0.00 0.00 179.24 178.06 1byo n GLU 45 N -3.39 4.10 -4.07 3.56 4.71 -0.44 -4.99 120.64 120.13 1byo n GLU 45 Ca -0.04 -4.77 -0.10 0.00 -0.01 0.00 0.00 57.16 52.24 1byo n GLU 45 Cb 0.97 -2.34 -0.11 0.00 -1.01 0.00 0.00 31.44 28.95 1byo n GLU 45 CO 0.00 0.00 0.00 0.14 0.09 0.00 0.00 177.13 177.36 1byo s VAL 46 N -4.24 0.38 0.31 2.62 -7.23 -1.22 0.08 120.40 111.10 1byo s VAL 46 Ca 0.44 -1.37 -0.29 0.00 -1.81 0.00 0.00 61.98 58.94 1byo s VAL 46 Cb 0.23 -0.94 -0.11 0.00 0.56 0.00 0.00 36.38 36.12 1byo s VAL 46 CO -0.12 -0.65 1.52 -2.84 -0.31 0.00 0.00 175.10 172.70 1byo s PRO 47 N -2.54 4.16 0.08 4.82 0.02 -1.23 -4.88 135.00 135.42 1byo s PRO 47 Ca -0.03 2.51 -0.37 0.00 0.02 0.00 0.00 61.00 63.13 1byo s PRO 47 Cb -0.03 -3.03 -0.17 0.00 0.02 0.00 0.00 34.50 31.30 1byo s PRO 47 CO -0.03 -0.54 1.36 0.00 -0.33 0.00 0.00 177.00 177.45 1byo n ALA 48 N 1.68 -0.88 -0.04 -1.55 0.00 -1.26 -0.76 120.51 117.69 1byo n ALA 48 Ca 0.06 0.51 0.00 0.00 0.00 0.00 0.00 53.44 54.01 1byo n ALA 48 Cb 0.39 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.75 1byo n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1byo n GLY 49 N 2.60 0.42 3.71 0.00 0.00 -1.26 -5.04 105.19 105.61 1byo n GLY 49 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1byo n GLY 49 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1byo s VAL 50 N -2.15 5.00 -0.38 1.61 1.01 0.06 -5.03 120.40 120.51 1byo s VAL 50 Ca 0.00 1.56 -0.20 0.00 0.00 0.00 0.00 61.98 63.34 1byo s VAL 50 Cb 0.00 -4.09 0.01 0.00 0.00 0.00 0.00 36.38 32.29 1byo s VAL 50 CO 0.00 0.21 0.60 -0.62 0.00 0.00 0.00 175.10 175.29 1byo s ASP 51 N 0.88 6.36 0.21 3.32 -1.08 -1.26 -4.95 116.67 120.15 1byo s ASP 51 Ca 0.40 -0.07 -0.06 0.00 -0.52 0.00 0.00 52.55 52.29 1byo s ASP 51 Cb -0.18 -2.31 0.18 0.00 -1.46 0.00 0.00 42.92 39.15 1byo s ASP 51 CO 0.19 -0.62 1.69 0.58 0.52 0.00 0.00 175.17 177.53 1byo h VAL 52 N 5.73 1.26 0.00 1.11 2.07 -1.96 -2.50 116.25 121.95 1byo h VAL 52 Ca -0.26 -1.09 -0.04 0.00 0.82 0.00 0.00 66.70 66.13 1byo h VAL 52 Cb 1.11 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 1byo h VAL 52 CO 0.84 0.39 -0.17 0.74 0.02 0.00 0.00 177.57 179.39 1byo h THR 53 N 0.89 0.64 0.00 2.57 2.02 -1.93 -0.88 112.91 116.22 1byo h THR 53 Ca 0.17 -0.73 -0.11 0.00 0.77 0.00 0.00 66.41 66.50 1byo h THR 53 Cb 0.51 1.47 -0.02 0.00 -1.74 0.00 0.00 68.15 68.37 1byo h THR 53 CO 0.02 0.17 -0.52 0.50 0.37 0.00 0.00 175.52 176.06 1byo h LYS 54 N 0.00 0.00 0.00 6.66 3.64 -1.87 -3.35 116.57 121.64 1byo h LYS 54 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1byo h LYS 54 Cb 0.45 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1byo h LYS 54 CO 0.02 0.52 -0.44 -0.89 -2.27 0.00 0.00 179.45 176.39 1byo n ILE 55 N -3.26 0.00 -4.14 2.00 -0.00 -0.93 -5.03 119.36 108.00 1byo n ILE 55 Ca 0.02 -0.30 -0.26 0.00 -0.00 0.00 0.00 62.75 62.21 1byo n ILE 55 Cb 0.72 0.97 -0.06 0.00 -0.00 0.00 0.00 39.64 41.27 1byo n ILE 55 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.55 176.11 1byo s SER 56 N -1.85 5.18 0.40 4.38 0.01 -0.38 -4.86 113.70 116.58 1byo s SER 56 Ca 0.03 -0.26 -0.23 0.00 1.31 0.00 0.00 55.95 56.79 1byo s SER 56 Cb 0.06 -1.25 -0.10 0.00 0.21 0.00 0.00 66.02 64.95 1byo s SER 56 CO 0.34 0.07 0.99 -0.04 0.41 0.00 0.00 173.24 175.02 1byo s MET 57 N -3.09 4.25 0.32 12.44 -1.94 -0.34 -4.91 119.30 126.03 1byo s MET 57 Ca 0.30 1.34 -0.28 0.00 -1.71 0.00 0.00 55.69 55.34 1byo s MET 57 Cb -0.09 -2.47 -0.13 0.00 2.01 0.00 0.00 34.83 34.15 1byo s MET 57 CO 0.21 -0.03 1.12 -2.30 -0.01 0.00 0.00 175.02 174.02 1byo n PRO 58 N -0.15 1.67 0.30 2.03 -0.02 -1.26 -4.66 135.00 132.91 1byo n PRO 58 Ca 0.05 0.59 0.18 0.00 -2.02 0.00 0.00 63.50 62.30 1byo n PRO 58 Cb 0.51 -2.06 1.00 0.00 -0.02 0.00 0.00 33.50 32.94 1byo n PRO 58 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1byo h GLU 59 N 2.18 0.00 0.00 -0.52 5.08 -1.94 -0.50 114.58 118.87 1byo h GLU 59 Ca -0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1byo h GLU 59 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 1byo h GLU 59 CO 0.61 0.00 -0.95 -0.85 -1.00 0.00 0.00 179.01 176.82 1byo n GLU 60 N -3.57 0.21 -2.56 2.33 0.00 -1.26 -4.87 120.64 110.92 1byo n GLU 60 Ca -0.02 -0.00 -0.40 0.00 0.00 0.00 0.00 57.16 56.74 1byo n GLU 60 Cb 0.11 -1.57 -0.05 0.00 0.00 0.00 0.00 31.44 29.94 1byo n GLU 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1byo s ASP 61 N -3.67 7.28 0.01 -1.84 1.11 -0.20 -5.05 116.67 114.31 1byo s ASP 61 Ca 0.05 2.15 0.02 0.00 0.18 0.00 0.00 52.55 54.95 1byo s ASP 61 Cb 0.15 -2.62 -0.01 0.00 1.07 0.00 0.00 42.92 41.51 1byo s ASP 61 CO 0.79 -0.12 -0.08 -0.76 1.18 0.00 0.00 175.17 176.18 1byo s LEU 62 N -1.59 2.09 -0.32 1.23 1.43 -1.26 -4.71 118.68 115.55 1byo s LEU 62 Ca 0.46 -0.27 -0.16 0.00 -1.03 0.00 0.00 54.13 53.14 1byo s LEU 62 Cb -0.29 -0.32 -0.02 0.00 0.03 0.00 0.00 46.19 45.60 1byo s LEU 62 CO 0.36 0.00 0.40 -0.76 0.23 0.00 0.00 176.35 176.59 1byo s LEU 63 N -0.63 4.27 0.00 1.79 1.43 0.85 -4.92 118.68 121.46 1byo s LEU 63 Ca -0.01 0.01 0.13 0.00 -1.03 0.00 0.00 54.13 53.23 1byo s LEU 63 Cb -0.05 -2.43 -0.12 0.00 0.03 0.00 0.00 46.19 43.62 1byo s LEU 63 CO 0.00 -0.31 0.56 0.59 0.23 0.00 0.00 176.35 177.42 1byo n ASN 64 N 5.45 0.68 -4.10 2.29 3.02 -1.26 -1.22 115.26 120.12 1byo n ASN 64 Ca -0.08 -0.84 -0.08 0.00 -0.03 0.00 0.00 54.58 53.55 1byo n ASN 64 Cb 0.50 0.94 -0.10 0.00 -0.61 0.00 0.00 39.78 40.51 1byo n ASN 64 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1byo s ALA 65 N -2.13 0.57 0.63 5.41 0.00 -1.26 -4.91 121.76 120.07 1byo s ALA 65 Ca 0.05 -1.25 -0.19 0.00 0.00 0.00 0.00 51.96 50.58 1byo s ALA 65 Cb 0.10 0.43 -0.02 0.00 0.00 0.00 0.00 23.12 23.63 1byo s ALA 65 CO 0.50 -0.41 1.31 -2.14 0.00 0.00 0.00 175.76 175.02 1byo s PRO 66 N -3.95 2.63 0.00 0.00 0.02 -1.26 -2.63 135.00 129.80 1byo s PRO 66 Ca 0.11 2.10 0.00 0.00 0.02 0.00 0.00 61.00 63.23 1byo s PRO 66 Cb 0.08 -1.90 0.00 0.00 0.02 0.00 0.00 34.50 32.70 1byo s PRO 66 CO -0.07 -1.55 0.00 0.41 -0.33 0.00 0.00 177.00 175.46 1byo n GLY 67 N 0.88 2.83 3.75 0.52 0.00 -1.26 -5.01 105.19 106.90 1byo n GLY 67 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1byo n GLY 67 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1byo s GLU 68 N -0.08 4.38 0.27 1.61 2.02 -1.08 -4.92 118.70 120.90 1byo s GLU 68 Ca 0.00 2.12 -0.10 0.00 0.02 0.00 0.00 54.97 57.01 1byo s GLU 68 Cb 0.00 -3.14 -0.00 0.00 0.10 0.00 0.00 34.13 31.08 1byo s GLU 68 CO 0.00 -0.22 0.46 -1.83 0.02 0.00 0.00 175.26 173.69 1byo s GLU 69 N -0.77 1.61 -0.03 1.61 -1.05 -1.26 -1.79 118.70 117.02 1byo s GLU 69 Ca 0.54 -1.38 -0.01 0.00 -0.15 0.00 0.00 54.97 53.96 1byo s GLU 69 Cb -0.38 0.46 0.03 0.00 -0.44 0.00 0.00 34.13 33.80 1byo s GLU 69 CO 0.44 -0.67 0.04 -0.47 0.95 0.00 0.00 175.26 175.55 1byo s TYR 70 N -3.78 0.08 0.02 4.83 5.04 -0.47 -5.00 117.35 118.06 1byo s TYR 70 Ca 0.25 0.18 0.06 0.00 -2.44 0.00 0.00 57.07 55.12 1byo s TYR 70 Cb -0.00 -0.39 -0.03 0.00 0.35 0.00 0.00 41.96 41.89 1byo s TYR 70 CO 0.11 -0.15 -0.15 -1.12 -1.34 0.00 0.00 175.55 172.90 1byo s SER 71 N 1.65 3.98 -0.17 4.32 0.01 -1.26 -0.52 113.70 121.71 1byo s SER 71 Ca -0.02 -0.33 -0.14 0.00 1.31 0.00 0.00 55.95 56.77 1byo s SER 71 Cb -0.13 -0.74 0.05 0.00 0.21 0.00 0.00 66.02 65.42 1byo s SER 71 CO -0.03 0.28 0.44 0.54 0.41 0.00 0.00 173.24 174.88 1byo s VAL 72 N -0.90 -0.01 -0.16 3.43 0.11 -0.71 -5.00 120.40 117.16 1byo s VAL 72 Ca 0.14 0.02 -0.02 0.00 -2.93 0.00 0.00 61.98 59.19 1byo s VAL 72 Cb -0.11 -0.63 -0.02 0.00 -1.53 0.00 0.00 36.38 34.10 1byo s VAL 72 CO 0.05 0.01 -0.07 0.42 -3.33 0.00 0.00 175.10 172.17 1byo s THR 73 N 0.53 3.46 -0.10 5.04 -4.23 -1.26 -1.18 115.64 117.90 1byo s THR 73 Ca -0.02 -0.50 -0.04 0.00 -1.18 0.00 0.00 61.69 59.94 1byo s THR 73 Cb -0.04 -2.51 -0.04 0.00 1.34 0.00 0.00 72.50 71.25 1byo s THR 73 CO -0.03 0.49 0.06 -0.76 -0.54 0.00 0.00 174.62 173.84 1byo s LEU 74 N 0.59 3.91 -0.04 4.79 1.43 -1.22 -4.97 118.68 123.16 1byo s LEU 74 Ca -0.05 0.27 -0.00 0.00 -1.03 0.00 0.00 54.13 53.32 1byo s LEU 74 Cb -0.15 -1.93 -0.03 0.00 0.03 0.00 0.00 46.19 44.12 1byo s LEU 74 CO 0.03 0.38 -0.04 0.35 0.23 0.00 0.00 176.35 177.30 1byo n THR 75 N 2.15 0.24 -1.99 5.49 -2.24 -1.26 -0.48 114.28 116.20 1byo n THR 75 Ca -0.19 -0.08 -0.41 0.00 -2.27 0.00 0.00 64.05 61.10 1byo n THR 75 Cb 0.54 -0.86 -0.01 0.00 -2.10 0.00 0.00 70.33 67.90 1byo n THR 75 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1byo s GLU 76 N -2.08 4.25 0.59 -0.78 0.41 -1.26 -4.62 118.70 115.21 1byo s GLU 76 Ca -0.06 2.36 -0.16 0.00 -0.41 0.00 0.00 54.97 56.71 1byo s GLU 76 Cb 0.02 -3.03 -0.04 0.00 -1.78 0.00 0.00 34.13 29.30 1byo s GLU 76 CO 0.09 -0.34 1.06 0.15 -0.49 0.00 0.00 175.26 175.73 1byo s LYS 77 N -1.83 3.32 0.00 1.61 -0.14 -1.26 -4.72 119.74 116.72 1byo s LYS 77 Ca 0.51 1.23 0.00 0.00 -1.36 0.00 0.00 55.97 56.35 1byo s LYS 77 Cb -0.43 -2.03 0.00 0.00 -1.68 0.00 0.00 37.83 33.69 1byo s LYS 77 CO 0.56 -0.82 0.00 0.41 -0.76 0.00 0.00 175.35 174.75 1byo n GLY 78 N -0.91 0.32 3.74 -3.33 0.00 -0.26 -4.82 105.19 99.92 1byo n GLY 78 Ca 0.09 -2.30 -0.35 0.00 0.00 0.00 0.00 46.02 43.46 1byo n GLY 78 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1byo s THR 79 N 0.00 4.91 -0.06 2.61 2.01 -1.26 0.33 115.64 124.18 1byo s THR 79 Ca 0.00 -0.01 0.03 0.00 0.31 0.00 0.00 61.69 62.03 1byo s THR 79 Cb 0.00 -3.15 0.00 0.00 0.01 0.00 0.00 72.50 69.37 1byo s THR 79 CO 0.00 0.56 -0.16 -0.31 -0.69 0.00 0.00 174.62 174.02 1byo s TYR 80 N -0.51 1.75 -0.10 4.92 1.51 -0.23 -3.53 117.35 121.16 1byo s TYR 80 Ca 0.11 -0.61 -0.05 0.00 -1.01 0.00 0.00 57.07 55.50 1byo s TYR 80 Cb -0.12 -1.22 -0.04 0.00 -0.11 0.00 0.00 41.96 40.48 1byo s TYR 80 CO 0.02 -0.26 0.11 0.21 -1.11 0.00 0.00 175.55 174.52 1byo s LYS 81 N 0.35 3.32 0.13 -0.62 2.20 0.11 -1.71 119.74 123.53 1byo s LYS 81 Ca -0.11 -0.21 0.03 0.00 -0.36 0.00 0.00 55.97 55.31 1byo s LYS 81 Cb -0.14 -3.09 -0.04 0.00 -1.51 0.00 0.00 37.83 33.05 1byo s LYS 81 CO 0.04 0.75 -0.06 -0.59 -0.36 0.00 0.00 175.35 175.14 1byo s PHE 82 N -1.02 1.09 0.23 4.03 -0.12 -0.77 -0.56 117.98 120.86 1byo s PHE 82 Ca 0.15 -0.90 -0.12 0.00 -0.05 0.00 0.00 56.93 56.02 1byo s PHE 82 Cb -0.12 -0.60 -0.00 0.00 -0.63 0.00 0.00 43.02 41.66 1byo s PHE 82 CO 0.05 -0.10 0.44 1.52 -0.05 0.00 0.00 175.22 177.08 1byo s TYR 83 N -3.55 0.38 -0.22 3.49 1.13 -0.32 -0.99 117.35 117.27 1byo s TYR 83 Ca 0.16 -0.73 -0.04 0.00 -1.41 0.00 0.00 57.07 55.06 1byo s TYR 83 Cb 0.05 0.14 -0.01 0.00 -1.10 0.00 0.00 41.96 41.03 1byo s TYR 83 CO -0.01 -0.94 -0.04 0.00 -2.51 0.00 0.00 175.55 172.05 1byo h ALA 85 N 8.01 -0.65 -0.69 0.00 0.00 -1.90 0.13 119.26 124.17 1byo h ALA 85 Ca -0.40 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 54.49 1byo h ALA 85 Cb 1.16 0.42 -0.04 0.00 0.00 0.00 0.00 17.79 19.33 1byo h ALA 85 CO 0.60 -0.90 0.45 -1.35 0.00 0.00 0.00 179.25 178.06 1byo h PRO 86 N -0.65 0.58 -0.37 0.00 0.11 -1.92 -2.75 132.00 127.00 1byo h PRO 86 Ca -0.02 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1byo h PRO 86 Cb 0.58 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.56 1byo h PRO 86 CO -0.04 0.38 0.00 0.72 -0.21 0.00 0.00 178.00 178.85 1byo n HIS 87 N -4.48 1.16 -0.24 0.65 8.25 -1.06 -4.64 115.22 114.86 1byo n HIS 87 Ca 0.11 -0.78 -0.05 0.00 -0.26 0.00 0.00 57.72 56.74 1byo n HIS 87 Cb 0.32 -0.31 0.05 0.00 1.12 0.00 0.00 29.99 31.16 1byo n HIS 87 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1byo h ALA 88 N 2.47 0.85 0.00 -1.41 0.00 -0.44 -1.58 119.26 119.15 1byo h ALA 88 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1byo h ALA 88 Cb 1.47 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1byo h ALA 88 CO 0.25 0.29 0.00 0.78 0.00 0.00 0.00 179.25 180.57 1byo h GLY 89 N 0.91 0.00 -0.02 0.00 0.00 -1.83 -2.08 103.07 100.05 1byo h GLY 89 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 1byo h GLY 89 CO -0.05 0.00 -0.03 0.00 0.00 0.00 0.00 176.54 176.46 1byo n ALA 90 N -2.00 2.65 -0.73 3.60 0.00 -0.68 -4.92 120.51 118.43 1byo n ALA 90 Ca 0.02 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1byo n ALA 90 Cb 0.32 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.52 1byo n ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1byo n GLY 91 N 1.16 0.58 3.57 0.00 0.00 -0.78 -4.97 105.19 104.75 1byo n GLY 91 Ca 0.19 -0.50 -0.43 0.00 0.00 0.00 0.00 46.02 45.28 1byo n GLY 91 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1byo s MET 92 N -1.01 3.91 0.06 1.61 0.00 -0.71 -4.87 119.30 118.28 1byo s MET 92 Ca 0.00 -1.84 0.03 0.00 0.00 0.00 0.00 55.69 53.88 1byo s MET 92 Cb 0.00 -5.49 -0.03 0.00 0.00 0.00 0.00 34.83 29.32 1byo s MET 92 CO 0.00 -2.23 -0.10 0.08 0.00 0.00 0.00 175.02 172.77 1byo s VAL 93 N 4.28 0.75 0.27 10.11 1.01 -1.26 -2.29 120.40 133.28 1byo s VAL 93 Ca 0.52 -1.21 0.00 0.00 0.00 0.00 0.00 61.98 61.29 1byo s VAL 93 Cb 0.03 -0.83 0.00 0.00 0.00 0.00 0.00 36.38 35.58 1byo s VAL 93 CO 0.04 -0.36 0.35 0.61 0.00 0.00 0.00 175.10 175.74 1byo n GLY 94 N 1.30 2.50 3.34 4.51 0.00 -0.16 -4.67 105.19 112.02 1byo n GLY 94 Ca -0.22 -1.62 -0.10 0.00 0.00 0.00 0.00 46.02 44.08 1byo n GLY 94 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1byo s LYS 95 N -2.72 0.46 0.04 1.61 2.20 0.89 -1.85 119.74 120.36 1byo s LYS 95 Ca 0.25 0.87 0.07 0.00 -0.36 0.00 0.00 55.97 56.80 1byo s LYS 95 Cb -0.00 0.01 -0.03 0.00 -1.51 0.00 0.00 37.83 36.29 1byo s LYS 95 CO 0.18 -0.16 -0.19 0.54 -0.36 0.00 0.00 175.35 175.36 1byo s VAL 96 N 1.44 2.69 -0.15 4.02 0.11 -0.69 -1.48 120.40 126.33 1byo s VAL 96 Ca -0.10 -1.22 0.02 0.00 -2.93 0.00 0.00 61.98 57.75 1byo s VAL 96 Cb -0.08 -2.12 0.01 0.00 -1.53 0.00 0.00 36.38 32.66 1byo s VAL 96 CO -0.14 0.34 -0.20 -0.89 -3.33 0.00 0.00 175.10 170.88 1byo s THR 97 N -0.91 2.24 -0.23 5.04 2.01 -0.37 -1.07 115.64 122.36 1byo s THR 97 Ca 0.14 -0.91 -0.08 0.00 0.31 0.00 0.00 61.69 61.15 1byo s THR 97 Cb -0.10 -1.92 -0.04 0.00 0.01 0.00 0.00 72.50 70.45 1byo s THR 97 CO 0.05 0.54 0.10 -0.69 -0.69 0.00 0.00 174.62 173.92 1byo s VAL 98 N 0.90 4.73 -2.48 3.82 1.01 0.15 -1.50 120.40 127.04 1byo s VAL 98 Ca -0.04 -0.04 0.20 0.00 0.00 0.00 0.00 61.98 62.10 1byo s VAL 98 Cb -0.15 -3.19 0.16 0.00 0.00 0.00 0.00 36.38 33.19 1byo s VAL 98 CO -0.03 0.36 1.13 0.59 0.00 0.00 0.00 175.10 177.15