#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yup n SER 2 N 0.00 -2.45 -4.39 1.61 3.41 -1.26 -4.91 113.62 105.63 2yup n SER 2 Ca 0.00 -1.06 -0.29 0.00 -0.26 0.00 0.00 58.87 57.26 2yup n SER 2 Cb 0.00 -2.57 0.19 0.00 -0.26 0.00 0.00 64.21 61.57 2yup n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2yup s SER 3 N -3.50 2.16 0.00 4.04 1.04 -1.26 -5.00 113.70 111.18 2yup s SER 3 Ca 0.61 0.92 0.00 0.00 0.48 0.00 0.00 55.95 57.96 2yup s SER 3 Cb -0.34 -1.41 0.00 0.00 0.10 0.00 0.00 66.02 64.38 2yup s SER 3 CO 0.94 -3.39 0.00 0.61 0.98 0.00 0.00 173.24 172.39 2yup n GLY 4 N -1.32 3.14 3.86 7.32 0.00 -1.26 -5.08 105.19 111.85 2yup n GLY 4 Ca 0.08 -1.78 -0.35 0.00 0.00 0.00 0.00 46.02 43.97 2yup n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yup s SER 5 N 0.00 6.73 -0.11 1.61 1.04 -1.26 -5.09 113.70 116.63 2yup s SER 5 Ca 0.00 0.94 -0.02 0.00 0.48 0.00 0.00 55.95 57.36 2yup s SER 5 Cb 0.00 -2.24 -0.03 0.00 0.10 0.00 0.00 66.02 63.86 2yup s SER 5 CO 0.00 0.13 -0.05 -0.44 0.98 0.00 0.00 173.24 173.86 2yup s SER 6 N -1.77 4.76 0.00 7.02 0.01 -1.26 -5.08 113.70 117.38 2yup s SER 6 Ca 0.36 -0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.56 2yup s SER 6 Cb -0.14 -1.50 0.00 0.00 0.21 0.00 0.00 66.02 64.59 2yup s SER 6 CO 0.19 0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.72 2yup n GLY 7 N 2.84 0.49 3.10 3.44 0.00 -1.26 -5.18 105.19 108.62 2yup n GLY 7 Ca -0.18 -1.04 -0.09 0.00 0.00 0.00 0.00 46.02 44.71 2yup n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yup s LYS 8 N -2.00 0.56 -0.34 1.61 3.01 -1.26 -5.12 119.74 116.21 2yup s LYS 8 Ca 0.00 -0.78 -0.29 0.00 -1.01 0.00 0.00 55.97 53.90 2yup s LYS 8 Cb 0.00 0.22 -0.01 0.00 -1.01 0.00 0.00 37.83 37.02 2yup s LYS 8 CO 0.00 -0.13 1.69 -1.25 0.51 0.00 0.00 175.35 176.17 2yup s PRO 9 N -2.60 3.43 0.27 -1.68 0.04 -1.26 -4.88 135.00 128.32 2yup s PRO 9 Ca -0.05 1.33 0.05 0.00 0.04 0.00 0.00 61.00 62.37 2yup s PRO 9 Cb -0.01 -4.14 0.37 0.00 0.04 0.00 0.00 34.50 30.76 2yup s PRO 9 CO -0.05 -1.74 1.65 -1.00 0.04 0.00 0.00 177.00 175.91 2yup h PRO 10 N 12.17 0.29 -4.70 0.56 0.13 -2.08 -3.41 132.00 134.97 2yup h PRO 10 Ca -0.32 -0.15 -0.69 0.00 -0.87 0.00 0.00 66.00 63.97 2yup h PRO 10 Cb 1.15 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.06 2yup h PRO 10 CO 1.04 0.69 -0.52 0.99 -0.23 0.00 0.00 178.00 179.97 2yup s THR 11 N -4.07 4.77 -1.31 1.56 2.01 -1.26 -5.01 115.64 112.33 2yup s THR 11 Ca -0.05 -0.52 -0.14 0.00 0.31 0.00 0.00 61.69 61.30 2yup s THR 11 Cb 0.13 -3.51 0.12 0.00 0.01 0.00 0.00 72.50 69.24 2yup s THR 11 CO 0.79 -0.06 1.80 0.00 -0.69 0.00 0.00 174.62 176.46 2yup n TYR 12 N 5.02 4.07 -0.03 4.92 4.19 -1.26 -4.47 117.16 129.59 2yup n TYR 12 Ca -0.13 -3.00 -0.02 0.00 3.31 0.00 0.00 57.90 58.06 2yup n TYR 12 Cb 0.48 -2.32 -0.07 0.00 0.49 0.00 0.00 39.34 37.92 2yup n TYR 12 CO 0.00 0.00 0.00 0.94 0.91 0.00 0.00 176.86 178.71 2yup n GLN 13 N 5.98 1.91 -0.55 2.98 -0.06 -1.26 -4.58 117.38 121.79 2yup n GLN 13 Ca 0.44 -0.03 0.42 0.00 -2.00 0.00 0.00 57.00 55.83 2yup n GLN 13 Cb 0.41 -1.23 0.65 0.00 -4.06 0.00 0.00 30.24 26.01 2yup n GLN 13 CO 0.00 0.00 0.00 1.55 -0.20 0.00 0.00 177.06 178.41 2yup n VAL 14 N -2.20 -0.02 -1.06 1.69 3.14 -1.26 -4.57 118.33 114.05 2yup n VAL 14 Ca -0.11 1.23 -0.33 0.00 -2.96 0.00 0.00 64.34 62.17 2yup n VAL 14 Cb 0.65 -2.05 0.01 0.00 -1.06 0.00 0.00 33.84 31.39 2yup n VAL 14 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2yup n LEU 15 N -3.63 -3.05 -3.83 6.55 -0.00 -1.26 -4.94 117.00 106.84 2yup n LEU 15 Ca 0.36 0.56 -0.30 0.00 -0.00 0.00 0.00 56.01 56.63 2yup n LEU 15 Cb 1.59 -0.72 -0.15 0.00 -0.00 0.00 0.00 43.42 44.15 2yup n LEU 15 CO 0.34 -4.01 -0.30 -1.83 -0.00 0.00 0.00 177.39 171.59 2yup s GLU 16 N -0.84 1.15 -0.03 1.47 -1.05 -1.26 -4.97 118.70 113.18 2yup s GLU 16 Ca 0.48 -1.62 -0.28 0.00 -0.15 0.00 0.00 54.97 53.40 2yup s GLU 16 Cb -0.43 -2.52 0.06 0.00 -0.44 0.00 0.00 34.13 30.81 2yup s GLU 16 CO 0.56 -1.02 0.62 0.71 0.95 0.00 0.00 175.26 177.08 2yup s TYR 17 N 0.99 -0.58 0.45 4.83 1.51 -1.26 -4.72 117.35 118.58 2yup s TYR 17 Ca 0.12 0.94 0.07 0.00 -1.01 0.00 0.00 57.07 57.19 2yup s TYR 17 Cb -0.20 0.38 -0.01 0.00 -0.11 0.00 0.00 41.96 42.03 2yup s TYR 17 CO -0.13 -0.61 0.36 0.20 -1.11 0.00 0.00 175.55 174.27 2yup s GLY 18 N -1.37 2.22 -0.08 0.71 0.00 -0.57 -4.55 107.32 103.69 2yup s GLY 18 Ca -0.10 -1.78 0.04 0.00 0.00 0.00 0.00 44.72 42.89 2yup s GLY 18 CO 0.07 -1.80 -0.22 1.85 0.00 0.00 0.00 173.10 173.00 2yup s GLU 19 N -4.15 2.64 0.06 2.90 2.12 0.29 -2.31 118.70 120.26 2yup s GLU 19 Ca 0.44 -0.81 -0.04 0.00 0.36 0.00 0.00 54.97 54.92 2yup s GLU 19 Cb -0.02 -2.09 -0.03 0.00 0.26 0.00 0.00 34.13 32.26 2yup s GLU 19 CO 0.26 0.23 0.05 0.00 -0.54 0.00 0.00 175.26 175.25 2yup s ALA 20 N 0.20 0.25 -0.10 6.30 0.00 -1.24 -1.26 121.76 125.92 2yup s ALA 20 Ca -0.13 -1.00 -0.01 0.00 0.00 0.00 0.00 51.96 50.83 2yup s ALA 20 Cb -0.16 0.35 0.03 0.00 0.00 0.00 0.00 23.12 23.34 2yup s ALA 20 CO 0.06 -0.42 -0.03 0.08 0.00 0.00 0.00 175.76 175.45 2yup s VAL 21 N -3.89 0.66 0.00 0.00 1.01 0.05 -3.56 120.40 114.68 2yup s VAL 21 Ca 0.06 -0.10 -0.30 0.00 0.00 0.00 0.00 61.98 61.65 2yup s VAL 21 Cb 0.07 -0.79 -0.08 0.00 0.00 0.00 0.00 36.38 35.58 2yup s VAL 21 CO -0.10 0.28 1.90 0.00 0.00 0.00 0.00 175.10 177.17 2yup s ALA 22 N 1.85 3.56 -0.15 5.51 0.00 -1.13 -0.40 121.76 131.00 2yup s ALA 22 Ca 0.05 1.21 -0.07 0.00 0.00 0.00 0.00 51.96 53.14 2yup s ALA 22 Cb -0.13 -3.83 -0.24 0.00 0.00 0.00 0.00 23.12 18.92 2yup s ALA 22 CO -0.07 -1.58 0.25 1.04 0.00 0.00 0.00 175.76 175.41 2yup n GLN 23 N 7.49 0.72 -4.91 0.00 1.13 -1.09 0.24 117.38 120.96 2yup n GLN 23 Ca 0.20 0.28 -0.27 0.00 -1.94 0.00 0.00 57.00 55.26 2yup n GLN 23 Cb 0.42 -1.68 -0.15 0.00 0.11 0.00 0.00 30.24 28.93 2yup n GLN 23 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 2yup s TYR 24 N -2.53 1.93 -0.10 1.08 1.51 -1.15 -4.75 117.35 113.34 2yup s TYR 24 Ca -0.25 -0.37 -0.30 0.00 -1.01 0.00 0.00 57.07 55.14 2yup s TYR 24 Cb 0.07 -1.20 -0.03 0.00 -0.11 0.00 0.00 41.96 40.69 2yup s TYR 24 CO 0.72 0.02 1.32 0.99 -1.11 0.00 0.00 175.55 177.50 2yup s THR 25 N -0.63 4.09 0.23 -0.71 2.01 -1.26 -4.54 115.64 114.84 2yup s THR 25 Ca 0.08 1.37 0.05 0.00 0.31 0.00 0.00 61.69 63.51 2yup s THR 25 Cb -0.09 -3.88 -0.03 0.00 0.01 0.00 0.00 72.50 68.51 2yup s THR 25 CO 0.00 -0.08 0.33 0.12 -0.69 0.00 0.00 174.62 174.30 2yup s PHE 26 N 3.12 3.40 -0.00 4.92 5.36 -1.09 -5.00 117.98 128.68 2yup s PHE 26 Ca 0.59 -0.02 0.00 0.00 -0.96 0.00 0.00 56.93 56.53 2yup s PHE 26 Cb -0.25 -1.55 0.00 0.00 -0.34 0.00 0.00 43.02 40.88 2yup s PHE 26 CO 0.20 0.46 0.00 0.21 -1.46 0.00 0.00 175.22 174.63 2yup s LYS 27 N -3.90 0.04 0.18 10.12 2.47 -1.26 -3.89 119.74 123.50 2yup s LYS 27 Ca 0.34 0.01 -0.23 0.00 -1.56 0.00 0.00 55.97 54.53 2yup s LYS 27 Cb -0.09 -0.08 0.05 0.00 -1.46 0.00 0.00 37.83 36.25 2yup s LYS 27 CO 0.28 -0.02 0.75 0.20 0.16 0.00 0.00 175.35 176.73 2yup s GLY 28 N 0.17 -0.32 0.00 5.54 0.00 -1.26 -4.98 107.32 106.47 2yup s GLY 28 Ca -0.01 0.18 0.00 0.00 0.00 0.00 0.00 44.72 44.89 2yup s GLY 28 CO -0.00 0.06 0.22 1.22 0.00 0.00 0.00 173.10 174.59 2yup n ASP 29 N -0.41 0.44 -4.88 1.64 9.92 -1.26 -4.86 116.55 117.13 2yup n ASP 29 Ca -0.09 -0.80 -0.33 0.00 -0.53 0.00 0.00 54.79 53.05 2yup n ASP 29 Cb 0.61 0.18 -0.05 0.00 -0.64 0.00 0.00 41.12 41.22 2yup n ASP 29 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2yup s LEU 30 N -0.36 4.28 0.24 0.64 1.43 -1.26 -5.00 118.68 118.65 2yup s LEU 30 Ca 0.00 0.73 -0.05 0.00 -1.03 0.00 0.00 54.13 53.78 2yup s LEU 30 Cb 0.00 -3.25 0.37 0.00 0.03 0.00 0.00 46.19 43.34 2yup s LEU 30 CO 0.00 0.08 1.81 -0.08 0.23 0.00 0.00 176.35 178.39 2yup h GLU 31 N 3.14 0.77 0.00 1.70 4.81 -1.97 -0.36 114.58 122.68 2yup h GLU 31 Ca -0.47 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 58.64 2yup h GLU 31 Cb 1.18 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.37 2yup h GLU 31 CO 0.69 0.51 -0.32 -0.39 -0.73 0.00 0.00 179.01 178.77 2yup h VAL 32 N 0.79 1.12 -3.18 0.32 -1.51 -1.93 -3.40 116.25 108.46 2yup h VAL 32 Ca 0.38 -1.15 -0.65 0.00 -1.23 0.00 0.00 66.70 64.05 2yup h VAL 32 Cb 0.32 1.64 -0.16 0.00 -2.13 0.00 0.00 31.29 30.96 2yup h VAL 32 CO -0.23 0.32 0.29 -1.61 -1.23 0.00 0.00 177.57 175.10 2yup s GLU 33 N -4.17 3.20 -0.11 5.19 2.02 -0.14 -0.85 118.70 123.84 2yup s GLU 33 Ca -0.03 -0.65 -0.12 0.00 0.02 0.00 0.00 54.97 54.19 2yup s GLU 33 Cb 0.14 -4.09 -0.05 0.00 0.10 0.00 0.00 34.13 30.23 2yup s GLU 33 CO 0.70 -1.37 0.28 -1.17 0.02 0.00 0.00 175.26 173.72 2yup s LEU 34 N 3.24 4.34 0.09 1.80 2.96 -0.99 -4.33 118.68 125.79 2yup s LEU 34 Ca 0.21 0.61 -0.07 0.00 -0.22 0.00 0.00 54.13 54.66 2yup s LEU 34 Cb -0.17 -2.35 -0.05 0.00 0.50 0.00 0.00 46.19 44.12 2yup s LEU 34 CO 0.14 0.23 0.36 -0.44 -1.32 0.00 0.00 176.35 175.33 2yup s SER 35 N -0.29 6.55 -0.04 3.68 0.01 -1.26 -4.83 113.70 117.52 2yup s SER 35 Ca 0.18 0.66 -0.18 0.00 1.31 0.00 0.00 55.95 57.92 2yup s SER 35 Cb -0.14 -2.12 0.03 0.00 0.21 0.00 0.00 66.02 64.00 2yup s SER 35 CO 0.06 0.14 0.39 0.72 0.41 0.00 0.00 173.24 174.96 2yup s PHE 36 N -1.49 -0.31 -0.06 2.43 -0.12 -1.25 -5.00 117.98 112.18 2yup s PHE 36 Ca 0.35 0.55 -0.13 0.00 -0.05 0.00 0.00 56.93 57.65 2yup s PHE 36 Cb -0.13 0.16 -0.05 0.00 -0.63 0.00 0.00 43.02 42.37 2yup s PHE 36 CO 0.20 -0.41 0.34 1.03 -0.05 0.00 0.00 175.22 176.34 2yup s ARG 37 N -1.08 3.94 -0.08 1.99 0.52 -1.26 -2.66 118.95 120.31 2yup s ARG 37 Ca -0.11 0.25 -0.38 0.00 -0.52 0.00 0.00 55.73 54.97 2yup s ARG 37 Cb -0.04 -3.28 -0.16 0.00 0.52 0.00 0.00 34.95 32.00 2yup s ARG 37 CO 0.05 0.57 1.57 1.17 0.02 0.00 0.00 175.30 178.68 2yup n LYS 38 N 2.37 1.29 0.00 3.54 4.81 -1.26 -1.32 118.16 127.58 2yup n LYS 38 Ca -0.14 0.47 0.00 0.00 -0.87 0.00 0.00 58.31 57.77 2yup n LYS 38 Cb 0.53 -2.16 0.00 0.00 0.02 0.00 0.00 35.03 33.42 2yup n LYS 38 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2yup n GLY 39 N 3.45 2.40 3.52 3.14 0.00 0.14 -4.97 105.19 112.87 2yup n GLY 39 Ca 0.22 -0.58 -0.37 0.00 0.00 0.00 0.00 46.02 45.28 2yup n GLY 39 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2yup n GLU 40 N 0.00 0.57 -3.48 1.61 -0.58 -0.44 -4.62 120.64 113.70 2yup n GLU 40 Ca 0.00 0.23 -0.43 0.00 -0.42 0.00 0.00 57.16 56.54 2yup n GLU 40 Cb 0.00 -1.90 -0.06 0.00 -0.57 0.00 0.00 31.44 28.91 2yup n GLU 40 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 2yup s HIS 41 N -1.71 3.50 -0.18 -0.32 3.76 -1.26 -2.85 115.29 116.23 2yup s HIS 41 Ca 0.71 -1.99 -0.27 0.00 -0.15 0.00 0.00 55.06 53.36 2yup s HIS 41 Cb -0.41 -3.58 -0.01 0.00 1.11 0.00 0.00 32.58 29.69 2yup s HIS 41 CO 0.52 -0.97 0.91 0.42 -0.85 0.00 0.00 174.74 174.77 2yup s ILE 42 N 0.76 4.81 -0.39 0.60 1.01 -1.23 -4.54 121.20 122.22 2yup s ILE 42 Ca 0.11 1.78 -0.29 0.00 0.00 0.00 0.00 60.65 62.25 2yup s ILE 42 Cb -0.21 -4.20 0.02 0.00 0.01 0.00 0.00 42.46 38.08 2yup s ILE 42 CO -0.03 -0.04 1.15 0.00 0.00 0.00 0.00 174.94 176.02 2yup s LEU 44 N 4.18 3.27 -0.09 0.00 1.43 -0.98 -3.57 118.68 122.93 2yup s LEU 44 Ca 0.49 0.22 -0.23 0.00 -1.03 0.00 0.00 54.13 53.58 2yup s LEU 44 Cb -0.11 -2.53 -0.29 0.00 0.03 0.00 0.00 46.19 43.29 2yup s LEU 44 CO 0.24 -2.34 0.78 0.40 0.23 0.00 0.00 176.35 175.66 2yup h ILE 45 N 6.82 1.50 -3.42 -0.59 2.04 -1.86 -1.50 117.51 120.50 2yup h ILE 45 Ca -0.25 -2.45 -0.22 0.00 1.00 0.00 0.00 64.86 62.94 2yup h ILE 45 Cb 1.15 3.14 -0.29 0.00 -0.74 0.00 0.00 36.82 40.08 2yup h ILE 45 CO 1.22 0.67 -0.61 -0.13 0.00 0.00 0.00 178.15 179.30 2yup s ARG 46 N -2.37 0.10 -0.68 2.37 0.52 -1.04 -4.84 118.95 113.01 2yup s ARG 46 Ca -0.17 0.21 -0.21 0.00 -0.52 0.00 0.00 55.73 55.04 2yup s ARG 46 Cb 0.01 -0.03 0.09 0.00 0.52 0.00 0.00 34.95 35.54 2yup s ARG 46 CO 0.77 -0.07 0.90 0.21 0.02 0.00 0.00 175.30 177.13 2yup s LYS 47 N 0.43 3.16 0.10 3.54 2.20 -1.26 -1.57 119.74 126.34 2yup s LYS 47 Ca -0.03 -1.14 -0.33 0.00 -0.36 0.00 0.00 55.97 54.11 2yup s LYS 47 Cb -0.04 -4.33 -0.13 0.00 -1.51 0.00 0.00 37.83 31.81 2yup s LYS 47 CO -0.02 -1.72 1.58 0.28 -0.36 0.00 0.00 175.35 175.12 2yup h VAL 48 N 5.92 0.11 -3.41 4.02 2.07 -1.88 -3.47 116.25 119.61 2yup h VAL 48 Ca -0.23 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.26 2yup h VAL 48 Cb 1.07 0.11 -0.06 0.00 -1.52 0.00 0.00 31.29 30.89 2yup h VAL 48 CO 1.14 0.00 0.04 0.20 0.02 0.00 0.00 177.57 178.97 2yup s ASN 49 N -4.59 -0.01 0.00 0.57 0.01 -0.64 -4.93 114.94 105.36 2yup s ASN 49 Ca -0.17 -0.93 0.04 0.00 -0.71 0.00 0.00 52.86 51.08 2yup s ASN 49 Cb 0.06 0.68 0.17 0.00 0.41 0.00 0.00 41.25 42.57 2yup s ASN 49 CO 0.62 -1.31 1.05 -1.84 -1.51 0.00 0.00 177.10 174.11 2yup n GLU 50 N -0.45 0.02 -0.00 -0.60 0.28 -1.26 -2.28 120.64 116.35 2yup n GLU 50 Ca -0.03 0.36 -0.00 0.00 -0.16 0.00 0.00 57.16 57.33 2yup n GLU 50 Cb 0.61 -1.50 -0.00 0.00 1.43 0.00 0.00 31.44 31.97 2yup n GLU 50 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2yup n ASN 51 N -1.42 4.78 -4.83 -1.84 5.03 -1.26 -4.96 115.26 110.76 2yup n ASN 51 Ca 0.01 -0.00 -0.23 0.00 0.87 0.00 0.00 54.58 55.23 2yup n ASN 51 Cb 0.04 0.43 -0.04 0.00 -1.02 0.00 0.00 39.78 39.18 2yup n ASN 51 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 2yup s TRP 52 N -2.01 3.16 -0.13 3.10 0.52 -0.97 -1.02 118.94 121.60 2yup s TRP 52 Ca -0.00 -0.08 -0.10 0.00 0.02 0.00 0.00 56.10 55.94 2yup s TRP 52 Cb 0.00 -1.45 0.04 0.00 -1.15 0.00 0.00 33.47 30.91 2yup s TRP 52 CO 0.01 0.51 0.33 0.71 0.02 0.00 0.00 176.95 178.54 2yup s TYR 53 N -2.03 -0.39 -0.24 -1.98 2.02 -0.60 -1.61 117.35 112.52 2yup s TYR 53 Ca 0.33 0.93 -0.06 0.00 -0.37 0.00 0.00 57.07 57.90 2yup s TYR 53 Cb -0.09 0.13 -0.02 0.00 -0.40 0.00 0.00 41.96 41.59 2yup s TYR 53 CO 0.25 -0.21 0.02 -2.00 -1.57 0.00 0.00 175.55 172.05 2yup s GLU 54 N 0.50 3.51 0.14 -0.62 2.12 -0.61 -0.80 118.70 122.94 2yup s GLU 54 Ca -0.03 -0.56 -0.00 0.00 0.36 0.00 0.00 54.97 54.74 2yup s GLU 54 Cb -0.04 -3.20 0.00 0.00 0.26 0.00 0.00 34.13 31.15 2yup s GLU 54 CO -0.03 -0.21 0.18 0.41 -0.54 0.00 0.00 175.26 175.07 2yup n GLY 55 N 4.87 2.88 3.23 -1.50 0.00 -0.16 -2.51 105.19 112.01 2yup n GLY 55 Ca -0.17 -1.52 -0.13 0.00 0.00 0.00 0.00 46.02 44.20 2yup n GLY 55 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2yup s ARG 56 N -2.35 1.05 -0.41 1.61 1.04 -1.23 -1.13 118.95 117.52 2yup s ARG 56 Ca 0.12 -1.48 -0.16 0.00 -1.04 0.00 0.00 55.73 53.18 2yup s ARG 56 Cb -0.00 -0.36 0.02 0.00 -2.04 0.00 0.00 34.95 32.57 2yup s ARG 56 CO 0.09 -0.05 0.34 0.42 -0.04 0.00 0.00 175.30 176.06 2yup s ILE 57 N -3.55 5.21 0.78 4.99 -1.09 -0.39 -3.48 121.20 123.67 2yup s ILE 57 Ca 0.20 -0.58 -0.17 0.00 -2.23 0.00 0.00 60.65 57.87 2yup s ILE 57 Cb 0.05 -3.97 -0.11 0.00 -1.58 0.00 0.00 42.46 36.86 2yup s ILE 57 CO 0.01 -0.35 -0.16 1.07 -1.23 0.00 0.00 174.94 174.28 2yup n THR 58 N 5.24 0.44 0.00 2.92 5.66 -1.26 -2.37 114.28 124.91 2yup n THR 58 Ca -0.10 -0.45 0.00 0.00 -3.05 0.00 0.00 64.05 60.45 2yup n THR 58 Cb 0.47 -0.24 0.00 0.00 -1.55 0.00 0.00 70.33 69.01 2yup n THR 58 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2yup n GLY 59 N 2.57 1.25 3.92 1.09 0.00 -1.26 -4.87 105.19 107.88 2yup n GLY 59 Ca 0.05 -0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 2yup n GLY 59 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2yup s THR 60 N 0.00 3.15 -0.68 2.61 -4.23 -1.00 -4.99 115.64 110.50 2yup s THR 60 Ca 0.00 -0.07 -0.02 0.00 -1.18 0.00 0.00 61.69 60.42 2yup s THR 60 Cb 0.00 -3.29 0.40 0.00 1.34 0.00 0.00 72.50 70.95 2yup s THR 60 CO 0.00 -0.31 2.05 0.61 -0.54 0.00 0.00 174.62 176.43 2yup n GLY 61 N -2.73 5.65 3.86 3.99 0.00 -1.26 -4.60 105.19 110.09 2yup n GLY 61 Ca 0.06 -2.25 -0.37 0.00 0.00 0.00 0.00 46.02 43.47 2yup n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2yup s ARG 62 N -3.69 3.52 -0.14 1.61 0.52 -1.26 -5.02 118.95 114.49 2yup s ARG 62 Ca 0.60 -0.15 -0.13 0.00 -0.52 0.00 0.00 55.73 55.53 2yup s ARG 62 Cb 0.47 -3.21 0.04 0.00 0.52 0.00 0.00 34.95 32.77 2yup s ARG 62 CO -0.10 0.72 0.38 -1.14 0.02 0.00 0.00 175.30 175.19 2yup s GLN 63 N -0.86 0.44 0.00 3.54 0.74 -1.26 -1.26 119.66 121.00 2yup s GLN 63 Ca 0.14 0.53 0.00 0.00 0.05 0.00 0.00 55.36 56.08 2yup s GLN 63 Cb -0.12 0.21 0.00 0.00 1.10 0.00 0.00 33.01 34.20 2yup s GLN 63 CO 0.03 -0.06 0.00 0.41 -0.55 0.00 0.00 175.29 175.13 2yup n GLY 64 N 2.91 -1.26 3.90 2.59 0.00 -0.28 -4.88 105.19 108.18 2yup n GLY 64 Ca -0.13 -0.88 -0.20 0.00 0.00 0.00 0.00 46.02 44.80 2yup n GLY 64 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2yup s ILE 65 N -2.82 3.90 -0.01 -0.61 -4.36 -0.03 -0.99 121.20 116.28 2yup s ILE 65 Ca 0.00 -1.23 -0.28 0.00 -0.26 0.00 0.00 60.65 58.88 2yup s ILE 65 Cb 0.00 -3.32 0.10 0.00 1.25 0.00 0.00 42.46 40.49 2yup s ILE 65 CO 0.00 -0.19 0.84 0.72 0.24 0.00 0.00 174.94 176.55 2yup s PHE 66 N -2.23 -0.41 0.24 1.37 -0.12 0.02 -2.34 117.98 114.52 2yup s PHE 66 Ca 0.41 0.39 -0.30 0.00 -0.05 0.00 0.00 56.93 57.39 2yup s PHE 66 Cb -0.07 0.51 -0.09 0.00 -0.63 0.00 0.00 43.02 42.74 2yup s PHE 66 CO 0.28 -0.56 1.27 -1.25 -0.05 0.00 0.00 175.22 174.91 2yup s PRO 67 N -2.68 4.42 0.01 1.99 0.04 -1.26 -1.56 135.00 135.97 2yup s PRO 67 Ca 0.02 2.05 -0.25 0.00 0.04 0.00 0.00 61.00 62.85 2yup s PRO 67 Cb -0.01 -3.16 -0.17 0.00 0.04 0.00 0.00 34.50 31.20 2yup s PRO 67 CO -0.06 -0.16 1.29 0.00 0.04 0.00 0.00 177.00 178.12 2yup h ALA 68 N 4.62 -0.33 -1.52 8.56 0.00 -1.40 -2.92 119.26 126.27 2yup h ALA 68 Ca -0.46 -0.18 0.44 0.00 0.00 0.00 0.00 54.91 54.71 2yup h ALA 68 Cb 1.22 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 19.07 2yup h ALA 68 CO 0.72 -0.52 1.30 0.45 0.00 0.00 0.00 179.25 181.20 2yup n SER 69 N -5.10 0.00 0.03 0.00 2.88 -1.26 0.23 113.62 110.41 2yup n SER 69 Ca -0.09 0.86 -0.19 0.00 -1.33 0.00 0.00 58.87 58.12 2yup n SER 69 Cb 0.24 -0.38 -0.11 0.00 -0.75 0.00 0.00 64.21 63.21 2yup n SER 69 CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 175.04 175.69 2yup h TYR 70 N 0.00 0.85 -1.63 0.66 -1.99 -1.91 -3.46 116.97 109.48 2yup h TYR 70 Ca 0.72 -0.48 -0.45 0.00 2.00 0.00 0.00 58.73 60.52 2yup h TYR 70 Cb 3.32 -0.09 -0.00 0.00 2.00 0.00 0.00 36.73 41.96 2yup h TYR 70 CO 0.00 1.31 -0.33 0.14 -0.00 0.00 0.00 178.16 179.28 2yup s VAL 71 N -3.18 3.39 -0.16 -2.88 -7.23 0.63 -2.69 120.40 108.28 2yup s VAL 71 Ca -0.11 -1.11 -0.04 0.00 -1.81 0.00 0.00 61.98 58.90 2yup s VAL 71 Cb 0.05 -3.17 -0.03 0.00 0.56 0.00 0.00 36.38 33.80 2yup s VAL 71 CO 0.88 -0.08 -0.02 -1.58 -0.31 0.00 0.00 175.10 173.99 2yup s GLN 72 N -4.20 3.72 -0.19 4.82 -0.44 0.47 -4.83 119.66 119.00 2yup s GLN 72 Ca 0.48 -0.49 -0.18 0.00 -2.50 0.00 0.00 55.36 52.67 2yup s GLN 72 Cb -0.08 -2.96 -0.03 0.00 -1.64 0.00 0.00 33.01 28.30 2yup s GLN 72 CO 0.31 0.25 0.50 0.08 0.50 0.00 0.00 175.29 176.92 2yup s VAL 73 N 0.36 5.13 -0.09 1.34 1.01 -1.26 -0.77 120.40 126.11 2yup s VAL 73 Ca -0.03 0.92 0.06 0.00 0.00 0.00 0.00 61.98 62.93 2yup s VAL 73 Cb -0.14 -3.83 -0.10 0.00 0.00 0.00 0.00 36.38 32.32 2yup s VAL 73 CO 0.03 0.20 -0.00 -0.24 0.00 0.00 0.00 175.10 175.09 2yup n SER 74 N 4.61 2.92 -3.26 3.32 2.88 -0.39 -4.97 113.62 118.73 2yup n SER 74 Ca -0.05 -0.02 -0.04 0.00 -1.33 0.00 0.00 58.87 57.43 2yup n SER 74 Cb 0.51 0.48 -0.05 0.00 -0.75 0.00 0.00 64.21 64.40 2yup n SER 74 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 2yup s ARG 75 N -2.22 0.45 0.68 -1.46 3.52 -0.97 -4.94 118.95 114.02 2yup s ARG 75 Ca -0.07 0.52 -0.17 0.00 -0.13 0.00 0.00 55.73 55.88 2yup s ARG 75 Cb 0.03 -0.08 0.01 0.00 -1.56 0.00 0.00 34.95 33.35 2yup s ARG 75 CO 0.33 -0.82 1.27 -1.21 -0.81 0.00 0.00 175.30 174.06 2yup s GLU 76 N 2.66 2.35 0.00 5.12 8.01 -1.26 -0.55 118.70 135.03 2yup s GLU 76 Ca 0.13 1.97 0.00 0.00 0.01 0.00 0.00 54.97 57.09 2yup s GLU 76 Cb -0.14 -1.83 0.00 0.00 -4.31 0.00 0.00 34.13 27.85 2yup s GLU 76 CO -0.23 -1.73 0.00 -0.35 0.01 0.00 0.00 175.26 172.96 2yup n PRO 77 N -2.24 -0.70 -3.62 0.39 -0.04 -1.26 -4.56 135.00 122.97 2yup n PRO 77 Ca 0.15 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.33 2yup n PRO 77 Cb 0.49 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.83 2yup n PRO 77 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2yup s ARG 78 N -2.53 1.47 -0.67 0.54 3.00 -1.26 -4.91 118.95 114.59 2yup s ARG 78 Ca 0.00 -2.47 -0.00 0.00 -1.00 0.00 0.00 55.73 52.26 2yup s ARG 78 Cb 0.00 -2.23 0.41 0.00 0.00 0.00 0.00 34.95 33.13 2yup s ARG 78 CO 0.00 -1.31 1.83 1.28 0.00 0.00 0.00 175.30 177.10 2yup n LEU 79 N 2.72 6.99 -3.60 -0.88 7.99 -1.26 -4.85 117.00 124.11 2yup n LEU 79 Ca 0.22 -4.66 -0.22 0.00 -0.01 0.00 0.00 56.01 51.34 2yup n LEU 79 Cb 0.41 -0.88 0.07 0.00 -0.11 0.00 0.00 43.42 42.90 2yup n LEU 79 CO 0.17 1.74 0.11 0.54 -1.51 0.00 0.00 177.39 178.45 2yup n ARG 80 N -0.70 -6.53 -3.35 3.23 1.74 -1.26 -2.10 116.66 107.69 2yup n ARG 80 Ca 0.55 0.76 -0.25 0.00 -0.77 0.00 0.00 57.85 58.14 2yup n ARG 80 Cb 0.53 -5.68 -0.05 0.00 -1.02 0.00 0.00 32.46 26.24 2yup n ARG 80 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2yup n LEU 81 N -4.50 -0.47 -3.60 0.55 4.77 -1.26 -4.69 117.00 107.80 2yup n LEU 81 Ca -0.16 -0.64 -0.38 0.00 -0.03 0.00 0.00 56.01 54.81 2yup n LEU 81 Cb 0.62 -1.07 -0.02 0.00 -2.33 0.00 0.00 43.42 40.62 2yup n LEU 81 CO 0.66 0.06 -0.12 0.00 -1.33 0.00 0.00 177.39 176.66 2yup n ASP 83 N 1.73 0.48 -3.89 0.00 -0.08 -1.26 -4.87 116.55 108.66 2yup n ASP 83 Ca 0.13 0.39 -0.30 0.00 -1.51 0.00 0.00 54.79 53.50 2yup n ASP 83 Cb 0.24 -0.86 -0.15 0.00 2.34 0.00 0.00 41.12 42.69 2yup n ASP 83 CO 0.00 0.00 0.00 1.51 0.12 0.00 0.00 177.20 178.83 2yup s ASP 84 N 7.18 4.22 -1.26 1.67 -4.77 -1.26 -4.77 116.67 117.69 2yup s ASP 84 Ca 1.21 -1.67 -0.08 0.00 -3.30 0.00 0.00 52.55 48.71 2yup s ASP 84 Cb -1.30 -1.22 0.01 0.00 -1.09 0.00 0.00 42.92 39.33 2yup s ASP 84 CO 0.54 -0.35 1.03 -0.24 0.70 0.00 0.00 175.17 176.85 2yup n SER 85 N 4.59 -5.98 0.00 2.11 2.88 -1.26 -4.90 113.62 111.06 2yup n SER 85 Ca -0.03 -0.47 0.00 0.00 -1.33 0.00 0.00 58.87 57.04 2yup n SER 85 Cb 0.43 -4.62 0.00 0.00 -0.75 0.00 0.00 64.21 59.26 2yup n SER 85 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yup n GLY 86 N -1.84 4.24 0.01 0.46 0.00 -1.26 -4.92 105.19 101.88 2yup n GLY 86 Ca -0.00 -1.24 0.07 0.00 0.00 0.00 0.00 46.02 44.85 2yup n GLY 86 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2yup n PRO 87 N -1.76 0.02 -3.37 1.61 -0.04 -1.26 -4.63 135.00 125.56 2yup n PRO 87 Ca 0.00 0.27 -0.19 0.00 -0.04 0.00 0.00 63.50 63.54 2yup n PRO 87 Cb 0.00 -1.53 0.07 0.00 -0.04 0.00 0.00 33.50 31.99 2yup n PRO 87 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2yup n SER 88 N -1.57 -4.85 -4.14 3.54 2.88 -1.26 -4.92 113.62 103.30 2yup n SER 88 Ca 0.03 -0.47 -0.34 0.00 -1.33 0.00 0.00 58.87 56.76 2yup n SER 88 Cb 0.17 -4.34 -0.14 0.00 -0.75 0.00 0.00 64.21 59.15 2yup n SER 88 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2yup s SER 89 N -3.48 4.75 0.00 -3.46 1.04 -1.26 -5.17 113.70 106.12 2yup s SER 89 Ca 0.38 -1.32 0.00 0.00 0.48 0.00 0.00 55.95 55.49 2yup s SER 89 Cb -0.17 -1.66 0.00 0.00 0.10 0.00 0.00 66.02 64.29 2yup s SER 89 CO 0.61 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 175.21