#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 4.35 -4.50 1.61 2.88 -1.26 -5.04 113.62 111.66 2yup n SER 2 Ca 0.00 -3.47 -0.34 0.00 -1.33 0.00 0.00 58.87 53.73 2yup n SER 2 Cb 0.00 -0.38 -0.12 0.00 -0.75 0.00 0.00 64.21 62.96 2yup n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2yup s SER 3 N -3.62 4.62 -0.02 -3.46 0.15 -1.26 -5.11 113.70 105.01 2yup s SER 3 Ca 0.47 -0.13 0.03 0.00 0.70 0.00 0.00 55.95 57.02 2yup s SER 3 Cb 0.40 -1.56 -0.01 0.00 -1.71 0.00 0.00 66.02 63.14 2yup s SER 3 CO 0.01 0.23 -0.11 -0.83 1.20 0.00 0.00 173.24 173.74 2yup s GLY 4 N -0.01 0.58 0.12 9.45 0.00 -1.26 -5.05 107.32 111.14 2yup s GLY 4 Ca -0.00 -0.46 -0.33 0.00 0.00 0.00 0.00 44.72 43.93 2yup s GLY 4 CO 0.03 -0.31 1.55 1.76 0.00 0.00 0.00 173.10 176.13 2yup h SER 5 N 6.04 -1.75 -2.00 1.64 0.02 -1.99 -3.42 113.55 112.09 2yup h SER 5 Ca -0.33 0.22 0.03 0.00 -0.84 0.00 0.00 61.79 60.87 2yup h SER 5 Cb 1.17 0.70 -0.22 0.00 0.14 0.00 0.00 62.40 64.18 2yup h SER 5 CO 0.49 -0.46 -0.22 -0.44 -1.14 0.00 0.00 176.83 175.06 2yup s SER 6 N -4.92 -0.89 1.26 3.07 0.01 -1.26 -5.09 113.70 105.87 2yup s SER 6 Ca -0.15 1.29 0.00 0.00 1.31 0.00 0.00 55.95 58.39 2yup s SER 6 Cb 0.08 2.00 0.00 0.00 0.21 0.00 0.00 66.02 68.31 2yup s SER 6 CO 0.62 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.64 2yup n GLY 7 N 5.43 2.43 2.95 3.44 0.00 -1.26 -4.76 105.19 113.41 2yup n GLY 7 Ca -0.09 -0.24 -0.11 0.00 0.00 0.00 0.00 46.02 45.57 2yup n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2yup s LYS 8 N 0.00 0.17 0.98 1.61 -2.85 -1.26 -4.87 119.74 113.51 2yup s LYS 8 Ca 0.00 -0.19 -0.12 0.00 -1.00 0.00 0.00 55.97 54.66 2yup s LYS 8 Cb 0.00 0.07 0.18 0.00 -2.06 0.00 0.00 37.83 36.01 2yup s LYS 8 CO 0.00 -0.03 1.09 -1.25 0.10 0.00 0.00 175.35 175.26 2yup s PRO 9 N -0.56 0.59 -0.68 1.78 0.04 -1.26 -4.91 135.00 130.00 2yup s PRO 9 Ca -0.06 0.58 -0.26 0.00 0.04 0.00 0.00 61.00 61.30 2yup s PRO 9 Cb -0.04 -1.75 -0.03 0.00 0.04 0.00 0.00 34.50 32.72 2yup s PRO 9 CO -0.00 -2.64 1.88 -1.25 0.04 0.00 0.00 177.00 175.03 2yup s PRO 10 N -4.96 2.61 0.00 0.56 0.04 -1.26 -4.63 135.00 127.36 2yup s PRO 10 Ca 0.65 0.41 0.00 0.00 0.04 0.00 0.00 61.00 62.10 2yup s PRO 10 Cb -0.18 -4.53 0.00 0.00 0.04 0.00 0.00 34.50 29.82 2yup s PRO 10 CO 0.57 -2.87 0.00 2.41 0.04 0.00 0.00 177.00 177.15 2yup n THR 11 N 7.35 0.00 -3.63 1.26 -1.04 -1.26 -4.93 114.28 112.03 2yup n THR 11 Ca 0.25 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.98 2yup n THR 11 Cb 0.51 -0.61 -0.10 0.00 -1.82 0.00 0.00 70.33 68.30 2yup n THR 11 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2yup n TYR 12 N -2.44 2.17 0.33 -1.42 4.19 -1.26 -4.86 117.16 113.87 2yup n TYR 12 Ca 0.00 -4.01 0.11 0.00 3.31 0.00 0.00 57.90 57.31 2yup n TYR 12 Cb 0.39 -0.41 -0.09 0.00 0.49 0.00 0.00 39.34 39.72 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 1.84 0.44 -3.21 2.98 -0.06 -1.26 -4.75 117.38 113.37 2yup n GLN 13 Ca 0.24 -0.08 -0.46 0.00 -2.00 0.00 0.00 57.00 54.70 2yup n GLN 13 Cb 0.41 -1.57 -0.03 0.00 -4.06 0.00 0.00 30.24 24.99 2yup n GLN 13 CO 0.00 0.00 0.00 0.14 -0.20 0.00 0.00 177.06 177.00 2yup s VAL 14 N -3.33 5.23 -0.10 1.69 -7.23 -1.26 -4.79 120.40 110.61 2yup s VAL 14 Ca -0.01 -1.87 0.21 0.00 -1.81 0.00 0.00 61.98 58.50 2yup s VAL 14 Cb 0.14 -4.51 0.44 0.00 0.56 0.00 0.00 36.38 33.00 2yup s VAL 14 CO 0.86 -1.12 1.18 0.00 -0.31 0.00 0.00 175.10 175.72 2yup n LEU 15 N 5.12 1.73 -1.60 1.32 -0.00 -1.26 -4.86 117.00 117.44 2yup n LEU 15 Ca 0.07 -2.77 -0.10 0.00 -0.00 0.00 0.00 56.01 53.21 2yup n LEU 15 Cb 0.45 -0.11 0.04 0.00 -0.00 0.00 0.00 43.42 43.80 2yup n LEU 15 CO 0.45 0.89 0.97 1.21 -0.00 0.00 0.00 177.39 180.90 2yup n GLU 16 N -0.12 1.50 -1.67 1.47 4.07 -1.26 -4.95 120.64 119.68 2yup n GLU 16 Ca 0.12 -1.07 -0.36 0.00 -0.06 0.00 0.00 57.16 55.79 2yup n GLU 16 Cb 0.98 -1.42 0.07 0.00 -0.06 0.00 0.00 31.44 31.01 2yup n GLU 16 CO 0.00 0.00 0.00 0.71 -0.06 0.00 0.00 177.13 177.78 2yup s TYR 17 N -1.21 2.09 0.88 4.31 1.51 -1.26 -3.85 117.35 119.82 2yup s TYR 17 Ca 0.21 1.53 -0.12 0.00 -1.01 0.00 0.00 57.07 57.67 2yup s TYR 17 Cb 0.17 -3.60 0.12 0.00 -0.11 0.00 0.00 41.96 38.53 2yup s TYR 17 CO 0.02 -2.76 1.12 0.20 -1.11 0.00 0.00 175.55 173.02 2yup s GLY 18 N -1.61 1.59 -0.07 0.71 0.00 -1.02 -4.89 107.32 102.03 2yup s GLY 18 Ca 0.79 -0.40 0.02 0.00 0.00 0.00 0.00 44.72 45.14 2yup s GLY 18 CO 0.41 0.12 -0.12 1.85 0.00 0.00 0.00 173.10 175.36 2yup s GLU 19 N -5.21 1.70 0.03 2.90 2.12 -0.14 -3.01 118.70 117.08 2yup s GLU 19 Ca 0.63 -0.40 -0.05 0.00 0.36 0.00 0.00 54.97 55.51 2yup s GLU 19 Cb -0.15 -1.44 -0.01 0.00 0.26 0.00 0.00 34.13 32.79 2yup s GLU 19 CO 0.54 -0.01 0.09 0.00 -0.54 0.00 0.00 175.26 175.34 2yup s ALA 20 N 0.79 -0.07 -0.08 6.30 0.00 -1.23 -2.07 121.76 125.39 2yup s ALA 20 Ca -0.12 -0.52 0.02 0.00 0.00 0.00 0.00 51.96 51.34 2yup s ALA 20 Cb -0.15 0.23 0.02 0.00 0.00 0.00 0.00 23.12 23.21 2yup s ALA 20 CO 0.02 -0.30 -0.11 0.08 0.00 0.00 0.00 175.76 175.45 2yup s VAL 21 N -2.41 1.12 0.03 0.00 1.01 -0.56 -3.47 120.40 116.11 2yup s VAL 21 Ca -0.07 -0.44 -0.30 0.00 0.00 0.00 0.00 61.98 61.17 2yup s VAL 21 Cb -0.02 -1.05 -0.08 0.00 0.00 0.00 0.00 36.38 35.23 2yup s VAL 21 CO -0.04 0.36 1.84 0.00 0.00 0.00 0.00 175.10 177.26 2yup s ALA 22 N 0.88 3.62 -0.23 5.51 0.00 -1.15 -0.59 121.76 129.81 2yup s ALA 22 Ca -0.10 1.23 0.07 0.00 0.00 0.00 0.00 51.96 53.16 2yup s ALA 22 Cb -0.15 -3.80 -0.20 0.00 0.00 0.00 0.00 23.12 18.97 2yup s ALA 22 CO 0.01 -1.44 -0.07 1.04 0.00 0.00 0.00 175.76 175.30 2yup n GLN 23 N 7.02 0.67 -4.67 0.00 1.13 -1.14 -0.93 117.38 119.47 2yup n GLN 23 Ca 0.19 0.11 -0.23 0.00 -1.94 0.00 0.00 57.00 55.13 2yup n GLN 23 Cb 0.41 -1.54 -0.15 0.00 0.11 0.00 0.00 30.24 29.07 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 -2.51 1.31 -0.19 1.08 1.51 -1.12 -4.69 117.35 112.73 2yup s TYR 24 Ca -0.25 -0.25 -0.29 0.00 -1.01 0.00 0.00 57.07 55.27 2yup s TYR 24 Cb 0.08 -0.84 -0.04 0.00 -0.11 0.00 0.00 41.96 41.05 2yup s TYR 24 CO 0.69 -0.02 1.83 0.99 -1.11 0.00 0.00 175.55 177.94 2yup s THR 25 N -0.36 3.40 0.43 -0.71 2.01 -1.26 -4.48 115.64 114.67 2yup s THR 25 Ca 0.05 0.45 0.04 0.00 0.31 0.00 0.00 61.69 62.54 2yup s THR 25 Cb -0.06 -3.43 0.01 0.00 0.01 0.00 0.00 72.50 69.03 2yup s THR 25 CO -0.00 -0.20 0.61 0.12 -0.69 0.00 0.00 174.62 174.46 2yup s PHE 26 N 6.01 3.01 -0.11 4.92 5.36 -0.62 -5.01 117.98 131.54 2yup s PHE 26 Ca 0.82 -0.10 -0.04 0.00 -0.96 0.00 0.00 56.93 56.64 2yup s PHE 26 Cb -0.29 -2.34 0.05 0.00 -0.34 0.00 0.00 43.02 40.10 2yup s PHE 26 CO 0.33 -0.40 0.22 0.21 -1.46 0.00 0.00 175.22 174.13 2yup s LYS 27 N -4.45 0.14 -0.16 10.12 2.20 -1.26 -3.94 119.74 122.38 2yup s LYS 27 Ca 0.51 0.60 -0.07 0.00 -0.36 0.00 0.00 55.97 56.65 2yup s LYS 27 Cb -0.10 -0.12 0.07 0.00 -1.51 0.00 0.00 37.83 36.17 2yup s LYS 27 CO 0.35 -0.24 0.36 0.20 -0.36 0.00 0.00 175.35 175.67 2yup s GLY 28 N 1.87 -0.27 -0.07 5.54 0.00 -1.26 -4.98 107.32 108.15 2yup s GLY 28 Ca -0.03 1.33 -0.01 0.00 0.00 0.00 0.00 44.72 46.01 2yup s GLY 28 CO -0.08 1.98 0.56 -1.80 0.00 0.00 0.00 173.10 173.76 2yup h ASP 29 N 7.79 0.31 -4.01 1.64 1.82 -1.96 -3.41 116.42 118.60 2yup h ASP 29 Ca -0.24 -0.62 -0.55 0.00 -0.39 0.00 0.00 57.03 55.23 2yup h ASP 29 Cb 1.14 -0.10 0.13 0.00 0.68 0.00 0.00 39.33 41.17 2yup h ASP 29 CO 0.20 1.55 0.69 0.18 -1.61 0.00 0.00 179.24 180.24 2yup n LEU 30 N -3.36 5.32 -0.06 2.28 4.77 -1.26 -4.88 117.00 119.81 2yup n LEU 30 Ca -0.24 1.08 -0.10 0.00 -0.03 0.00 0.00 56.01 56.71 2yup n LEU 30 Cb 1.05 -1.60 -0.04 0.00 -2.33 0.00 0.00 43.42 40.49 2yup n LEU 30 CO 0.45 -0.25 0.60 -0.08 -1.33 0.00 0.00 177.39 176.79 2yup h GLU 31 N 2.05 -0.37 0.00 3.23 4.81 -1.97 0.45 114.58 122.78 2yup h GLU 31 Ca -0.51 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 2yup h GLU 31 Cb 1.28 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.74 2yup h GLU 31 CO 0.60 -0.24 0.04 -0.39 -0.73 0.00 0.00 179.01 178.29 2yup h VAL 32 N -0.38 0.00 -3.25 0.32 -1.51 -1.91 -3.38 116.25 106.15 2yup h VAL 32 Ca 0.12 0.00 -0.69 0.00 -1.23 0.00 0.00 66.70 64.90 2yup h VAL 32 Cb 0.59 0.87 -0.18 0.00 -2.13 0.00 0.00 31.29 30.43 2yup h VAL 32 CO -0.48 0.00 0.03 -1.61 -1.23 0.00 0.00 177.57 174.28 2yup s GLU 33 N -4.03 3.11 0.12 5.19 0.41 0.16 -0.11 118.70 123.55 2yup s GLU 33 Ca -0.04 -0.92 -0.11 0.00 -0.41 0.00 0.00 54.97 53.48 2yup s GLU 33 Cb 0.11 -4.10 -0.06 0.00 -1.78 0.00 0.00 34.13 28.30 2yup s GLU 33 CO 0.36 -1.22 0.47 -1.17 -0.49 0.00 0.00 175.26 173.21 2yup s LEU 34 N 2.58 4.33 0.03 1.80 2.96 -0.93 -4.34 118.68 125.10 2yup s LEU 34 Ca 0.14 0.91 0.03 0.00 -0.22 0.00 0.00 54.13 54.99 2yup s LEU 34 Cb -0.20 -3.16 -0.04 0.00 0.50 0.00 0.00 46.19 43.30 2yup s LEU 34 CO 0.11 0.12 -0.02 -0.44 -1.32 0.00 0.00 176.35 174.81 2yup s SER 35 N -1.82 4.97 0.08 3.68 0.01 -1.26 -4.47 113.70 114.89 2yup s SER 35 Ca 0.36 -0.10 -0.24 0.00 1.31 0.00 0.00 55.95 57.28 2yup s SER 35 Cb -0.14 -1.23 0.06 0.00 0.21 0.00 0.00 66.02 64.92 2yup s SER 35 CO 0.19 0.25 0.59 0.72 0.41 0.00 0.00 173.24 175.40 2yup s PHE 36 N -1.14 -0.52 0.07 2.43 -0.12 -1.25 -5.03 117.98 112.42 2yup s PHE 36 Ca 0.21 0.54 0.06 0.00 -0.05 0.00 0.00 56.93 57.69 2yup s PHE 36 Cb -0.11 0.45 -0.04 0.00 -0.63 0.00 0.00 43.02 42.69 2yup s PHE 36 CO 0.12 -0.73 -0.11 1.03 -0.05 0.00 0.00 175.22 175.48 2yup s ARG 37 N -2.78 2.21 -0.04 1.99 0.52 -1.26 -1.60 118.95 117.99 2yup s ARG 37 Ca -0.03 -0.95 -0.39 0.00 -0.52 0.00 0.00 55.73 53.83 2yup s ARG 37 Cb -0.01 -2.32 -0.18 0.00 0.52 0.00 0.00 34.95 32.96 2yup s ARG 37 CO -0.04 0.54 1.28 1.17 0.02 0.00 0.00 175.30 178.27 2yup n LYS 38 N 1.10 0.53 0.00 3.54 4.81 -1.26 -1.40 118.16 125.47 2yup n LYS 38 Ca -0.15 0.19 0.00 0.00 -0.87 0.00 0.00 58.31 57.49 2yup n LYS 38 Cb 0.52 -1.76 0.00 0.00 0.02 0.00 0.00 35.03 33.81 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 2.36 3.12 3.43 3.14 0.00 -0.10 -4.97 105.19 112.16 2yup n GLY 39 Ca 0.21 -0.97 -0.39 0.00 0.00 0.00 0.00 46.02 44.86 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 0.45 -3.52 1.61 1.02 -0.49 -4.64 120.64 115.07 2yup n GLU 40 Ca 0.00 0.17 -0.42 0.00 -0.02 0.00 0.00 57.16 56.90 2yup n GLU 40 Cb 0.00 -1.52 -0.08 0.00 -0.02 0.00 0.00 31.44 29.81 2yup n GLU 40 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2yup s HIS 41 N -1.68 3.35 -0.26 -0.32 3.76 -1.26 -2.94 115.29 115.94 2yup s HIS 41 Ca 0.65 -1.56 -0.15 0.00 -0.15 0.00 0.00 55.06 53.85 2yup s HIS 41 Cb -0.51 -3.31 -0.04 0.00 1.11 0.00 0.00 32.58 29.84 2yup s HIS 41 CO 0.57 -0.92 0.35 0.42 -0.85 0.00 0.00 174.74 174.32 2yup s ILE 42 N 1.45 5.20 -0.34 0.60 1.01 -1.23 -4.54 121.20 123.35 2yup s ILE 42 Ca 0.04 0.55 -0.26 0.00 0.00 0.00 0.00 60.65 60.98 2yup s ILE 42 Cb -0.25 -3.68 0.01 0.00 0.01 0.00 0.00 42.46 38.55 2yup s ILE 42 CO 0.02 0.19 0.93 0.00 0.00 0.00 0.00 174.94 176.08 2yup s LEU 44 N 3.39 3.46 -0.03 0.00 1.43 -1.16 -2.67 118.68 123.09 2yup s LEU 44 Ca 0.39 0.94 -0.12 0.00 -1.03 0.00 0.00 54.13 54.31 2yup s LEU 44 Cb -0.13 -3.24 -0.06 0.00 0.03 0.00 0.00 46.19 42.79 2yup s LEU 44 CO 0.16 -1.85 0.56 0.40 0.23 0.00 0.00 176.35 175.86 2yup h ILE 45 N 6.77 0.00 -1.30 -0.59 2.04 -0.76 -2.70 117.51 120.96 2yup h ILE 45 Ca -0.30 -0.49 0.06 0.00 1.00 0.00 0.00 64.86 65.13 2yup h ILE 45 Cb 1.15 0.00 -0.22 0.00 -0.74 0.00 0.00 36.82 37.02 2yup h ILE 45 CO 1.09 0.00 -0.26 0.00 0.00 0.00 0.00 178.15 178.98 2yup s ARG 46 N -2.96 0.55 -0.37 2.37 1.70 -1.14 -4.82 118.95 114.27 2yup s ARG 46 Ca -0.06 1.06 -0.42 0.00 -0.47 0.00 0.00 55.73 55.83 2yup s ARG 46 Cb 0.01 0.53 -0.18 0.00 -0.57 0.00 0.00 34.95 34.73 2yup s ARG 46 CO 0.19 -0.53 1.38 1.17 -1.08 0.00 0.00 175.30 176.42 2yup n LYS 47 N 5.43 0.00 -0.01 3.89 4.81 -1.26 -4.05 118.16 126.97 2yup n LYS 47 Ca -0.03 0.00 -0.18 0.00 -0.87 0.00 0.00 58.31 57.22 2yup n LYS 47 Cb 0.51 -1.38 -0.14 0.00 0.02 0.00 0.00 35.03 34.04 2yup n LYS 47 CO 0.00 0.00 0.00 -0.24 1.17 0.00 0.00 177.40 178.33 2yup h VAL 48 N 4.24 1.54 -4.38 3.15 3.04 -1.78 -3.47 116.25 118.59 2yup h VAL 48 Ca -0.42 -2.44 -0.20 0.00 -1.01 0.00 0.00 66.70 62.64 2yup h VAL 48 Cb 1.27 3.17 -0.14 0.00 -2.01 0.00 0.00 31.29 33.59 2yup h VAL 48 CO 0.84 0.66 -0.53 0.20 -1.01 0.00 0.00 177.57 177.73 2yup s ASN 49 N -6.70 0.12 0.45 3.17 0.01 -0.32 -4.97 114.94 106.70 2yup s ASN 49 Ca -0.17 -1.27 0.31 0.00 -0.71 0.00 0.00 52.86 51.02 2yup s ASN 49 Cb 0.00 0.41 1.61 0.00 0.41 0.00 0.00 41.25 43.68 2yup s ASN 49 CO 0.76 -0.88 1.94 1.05 -1.51 0.00 0.00 177.10 178.47 2yup h GLU 50 N 2.59 0.00 0.00 -0.60 4.11 -2.03 -3.14 114.58 115.51 2yup h GLU 50 Ca -0.34 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.05 2yup h GLU 50 Cb 1.24 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 2yup h GLU 50 CO 0.51 0.00 -1.15 0.09 0.07 0.00 0.00 179.01 178.53 2yup n ASN 51 N -2.61 3.75 -4.92 3.06 5.03 -1.26 -5.05 115.26 113.25 2yup n ASN 51 Ca -0.01 -0.01 -0.26 0.00 0.87 0.00 0.00 54.58 55.16 2yup n ASN 51 Cb 0.09 -0.04 -0.02 0.00 -1.02 0.00 0.00 39.78 38.79 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 -2.05 3.51 0.43 3.10 0.52 -1.19 -2.46 118.94 120.80 2yup s TRP 52 Ca -0.04 0.53 0.04 0.00 0.02 0.00 0.00 56.10 56.65 2yup s TRP 52 Cb 0.01 -2.03 -0.01 0.00 -1.15 0.00 0.00 33.47 30.28 2yup s TRP 52 CO 0.06 0.06 0.14 0.66 0.02 0.00 0.00 176.95 177.89 2yup n TYR 53 N -1.62 0.24 -3.52 -1.98 4.01 -0.47 -1.17 117.16 112.66 2yup n TYR 53 Ca -0.03 -2.71 -0.20 0.00 -0.16 0.00 0.00 57.90 54.80 2yup n TYR 53 Cb 0.55 -0.04 -0.14 0.00 -0.31 0.00 0.00 39.34 39.41 2yup n TYR 53 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 2yup s GLU 54 N -3.64 0.16 0.00 -0.72 2.12 -1.26 -2.14 118.70 113.22 2yup s GLU 54 Ca 0.20 0.15 0.00 0.00 0.36 0.00 0.00 54.97 55.68 2yup s GLU 54 Cb 0.01 -1.32 0.00 0.00 0.26 0.00 0.00 34.13 33.08 2yup s GLU 54 CO 0.14 -0.65 0.00 0.41 -0.54 0.00 0.00 175.26 174.61 2yup n GLY 55 N 5.31 5.91 3.25 -1.50 0.00 -0.40 -0.02 105.19 117.75 2yup n GLY 55 Ca -0.06 -1.67 -0.10 0.00 0.00 0.00 0.00 46.02 44.19 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 0.64 0.90 -0.72 1.61 1.70 -1.09 -2.29 118.95 119.70 2yup s ARG 56 Ca 0.00 -0.74 -0.11 0.00 -0.47 0.00 0.00 55.73 54.41 2yup s ARG 56 Cb 0.00 0.38 0.19 0.00 -0.57 0.00 0.00 34.95 34.95 2yup s ARG 56 CO 0.00 -0.31 0.62 0.42 -1.08 0.00 0.00 175.30 174.95 2yup s ILE 57 N -3.42 4.94 0.19 4.99 -1.09 -0.19 -3.12 121.20 123.51 2yup s ILE 57 Ca 0.01 -2.46 -0.33 0.00 -2.23 0.00 0.00 60.65 55.64 2yup s ILE 57 Cb 0.02 -4.11 -0.14 0.00 -1.58 0.00 0.00 42.46 36.65 2yup s ILE 57 CO -0.09 -0.95 1.43 1.07 -1.23 0.00 0.00 174.94 175.17 2yup n THR 58 N 4.03 0.55 0.00 2.92 5.66 -1.26 -2.04 114.28 124.14 2yup n THR 58 Ca 0.08 -0.14 0.00 0.00 -3.05 0.00 0.00 64.05 60.94 2yup n THR 58 Cb 0.43 -1.37 0.00 0.00 -1.55 0.00 0.00 70.33 67.85 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 2.58 3.15 0.12 1.09 0.00 -1.26 -4.80 105.19 106.08 2yup n GLY 59 Ca 0.14 -0.92 -0.26 0.00 0.00 0.00 0.00 46.02 44.98 2yup n GLY 59 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2yup n THR 60 N 0.00 1.53 0.00 2.61 -2.24 -1.01 -5.04 114.28 110.14 2yup n THR 60 Ca 0.00 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 2yup n THR 60 Cb 0.00 -1.96 0.00 0.00 -2.10 0.00 0.00 70.33 66.27 2yup n THR 60 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2yup n GLY 61 N 1.33 0.76 3.00 3.38 0.00 -0.87 -5.10 105.19 107.69 2yup n GLY 61 Ca -0.45 -0.03 -0.40 0.00 0.00 0.00 0.00 46.02 45.14 2yup n GLY 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yup n ARG 62 N 0.00 0.00 -3.67 1.61 1.74 -1.26 -4.62 116.66 110.46 2yup n ARG 62 Ca 0.00 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.96 2yup n ARG 62 Cb 0.00 -0.90 -0.08 0.00 -1.02 0.00 0.00 32.46 30.46 2yup n ARG 62 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 2yup s GLN 63 N -0.90 0.66 0.00 5.56 0.74 -1.26 -1.02 119.66 123.44 2yup s GLN 63 Ca 0.55 0.88 0.00 0.00 0.05 0.00 0.00 55.36 56.84 2yup s GLN 63 Cb -0.69 0.26 0.00 0.00 1.10 0.00 0.00 33.01 33.68 2yup s GLN 63 CO 0.54 -0.10 0.00 0.41 -0.55 0.00 0.00 175.29 175.59 2yup n GLY 64 N 3.18 -0.72 3.67 2.59 0.00 -0.97 -4.82 105.19 108.12 2yup n GLY 64 Ca -0.16 -0.41 -0.26 0.00 0.00 0.00 0.00 46.02 45.19 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 -3.89 2.21 -0.04 -0.61 -4.36 0.85 -1.28 121.20 114.09 2yup s ILE 65 Ca 0.00 -1.88 -0.29 0.00 -0.26 0.00 0.00 60.65 58.22 2yup s ILE 65 Cb 0.00 -2.96 0.10 0.00 1.25 0.00 0.00 42.46 40.85 2yup s ILE 65 CO 0.00 -0.03 0.87 0.72 0.24 0.00 0.00 174.94 176.74 2yup s PHE 66 N -2.64 -0.40 0.20 1.37 -0.12 -0.91 -2.18 117.98 113.30 2yup s PHE 66 Ca 0.37 0.41 -0.30 0.00 -0.05 0.00 0.00 56.93 57.37 2yup s PHE 66 Cb 0.06 0.51 -0.09 0.00 -0.63 0.00 0.00 43.02 42.87 2yup s PHE 66 CO 0.20 -0.52 1.30 -1.25 -0.05 0.00 0.00 175.22 174.90 2yup s PRO 67 N -2.48 4.39 0.03 1.99 0.04 -1.26 -1.36 135.00 136.35 2yup s PRO 67 Ca 0.01 2.05 -0.27 0.00 0.04 0.00 0.00 61.00 62.83 2yup s PRO 67 Cb -0.01 -3.19 -0.17 0.00 0.04 0.00 0.00 34.50 31.17 2yup s PRO 67 CO -0.05 -0.24 1.36 0.00 0.04 0.00 0.00 177.00 178.11 2yup h ALA 68 N 5.31 -0.55 -1.07 8.56 0.00 -1.80 -2.73 119.26 126.98 2yup h ALA 68 Ca -0.45 -0.18 0.31 0.00 0.00 0.00 0.00 54.91 54.60 2yup h ALA 68 Cb 1.21 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 19.17 2yup h ALA 68 CO 0.77 -0.70 1.22 0.77 0.00 0.00 0.00 179.25 181.31 2yup h SER 69 N -0.78 0.00 0.19 0.00 0.02 -1.93 1.57 113.55 112.62 2yup h SER 69 Ca -0.06 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.64 2yup h SER 69 Cb 0.53 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.10 2yup h SER 69 CO 0.09 0.00 -1.13 1.88 -1.14 0.00 0.00 176.83 176.53 2yup h TYR 70 N 0.00 0.73 -1.78 3.45 -1.99 -1.88 -3.47 116.97 112.02 2yup h TYR 70 Ca 0.51 -0.53 -0.44 0.00 2.00 0.00 0.00 58.73 60.27 2yup h TYR 70 Cb 2.94 -0.03 0.01 0.00 2.00 0.00 0.00 36.73 41.65 2yup h TYR 70 CO 0.00 1.43 -0.33 0.14 -0.00 0.00 0.00 178.16 179.40 2yup s VAL 71 N -2.50 4.00 -0.22 -2.88 -7.23 0.54 -2.81 120.40 109.29 2yup s VAL 71 Ca -0.12 -0.99 -0.07 0.00 -1.81 0.00 0.00 61.98 58.99 2yup s VAL 71 Cb 0.02 -3.38 -0.03 0.00 0.56 0.00 0.00 36.38 33.55 2yup s VAL 71 CO 0.88 -0.15 0.07 -1.58 -0.31 0.00 0.00 175.10 174.01 2yup s GLN 72 N -4.19 3.79 -0.27 4.82 2.00 0.24 -4.82 119.66 121.24 2yup s GLN 72 Ca 0.46 -0.42 -0.18 0.00 -2.00 0.00 0.00 55.36 53.22 2yup s GLN 72 Cb -0.10 -3.29 -0.02 0.00 0.80 0.00 0.00 33.01 30.40 2yup s GLN 72 CO 0.31 0.00 0.53 0.08 -0.50 0.00 0.00 175.29 175.71 2yup s VAL 73 N 1.10 5.06 -0.08 1.34 1.01 -1.26 -1.50 120.40 126.06 2yup s VAL 73 Ca 0.04 0.86 0.01 0.00 0.00 0.00 0.00 61.98 62.89 2yup s VAL 73 Cb -0.14 -3.85 -0.06 0.00 0.00 0.00 0.00 36.38 32.33 2yup s VAL 73 CO 0.03 0.05 -0.07 -0.24 0.00 0.00 0.00 175.10 174.88 2yup n SER 74 N 5.58 3.32 -3.63 3.32 2.88 -0.88 -4.89 113.62 119.32 2yup n SER 74 Ca -0.04 -0.04 -0.28 0.00 -1.33 0.00 0.00 58.87 57.18 2yup n SER 74 Cb 0.50 -0.04 -0.12 0.00 -0.75 0.00 0.00 64.21 63.79 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 -2.17 1.35 0.37 -1.46 3.52 -0.96 -4.96 118.95 114.64 2yup s ARG 75 Ca -0.11 -2.26 -0.24 0.00 -0.13 0.00 0.00 55.73 52.99 2yup s ARG 75 Cb 0.03 -2.18 -0.13 0.00 -1.56 0.00 0.00 34.95 31.10 2yup s ARG 75 CO 0.21 -1.26 0.62 0.39 -0.81 0.00 0.00 175.30 174.45 2yup n GLU 76 N 3.04 0.65 -2.26 5.12 4.71 -1.26 -0.97 120.64 129.66 2yup n GLU 76 Ca 0.18 0.23 -0.36 0.00 -0.01 0.00 0.00 57.16 57.20 2yup n GLU 76 Cb 0.39 -1.51 -0.01 0.00 -1.01 0.00 0.00 31.44 29.31 2yup n GLU 76 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 2yup s PRO 77 N -1.51 3.61 -0.01 3.49 0.04 -1.26 -4.62 135.00 134.74 2yup s PRO 77 Ca 0.62 1.72 -0.17 0.00 0.04 0.00 0.00 61.00 63.22 2yup s PRO 77 Cb -0.65 -2.26 -0.06 0.00 0.04 0.00 0.00 34.50 31.57 2yup s PRO 77 CO 0.58 -0.66 0.47 0.50 0.04 0.00 0.00 177.00 177.93 2yup s ARG 78 N -2.90 4.10 0.02 4.56 3.00 -1.25 -4.96 118.95 121.53 2yup s ARG 78 Ca 0.67 0.51 -0.04 0.00 -1.00 0.00 0.00 55.73 55.87 2yup s ARG 78 Cb -0.27 -3.28 -0.01 0.00 0.00 0.00 0.00 34.95 31.39 2yup s ARG 78 CO 0.32 0.54 -0.07 1.28 0.00 0.00 0.00 175.30 177.36 2yup n LEU 79 N 2.29 1.12 -3.38 -0.88 7.99 -1.26 -5.02 117.00 117.85 2yup n LEU 79 Ca -0.11 0.16 0.02 0.00 -0.01 0.00 0.00 56.01 56.07 2yup n LEU 79 Cb 0.52 -0.39 -0.03 0.00 -0.11 0.00 0.00 43.42 43.40 2yup n LEU 79 CO 0.40 -0.61 0.48 -0.60 -1.51 0.00 0.00 177.39 175.54 2yup s ARG 80 N -2.04 0.37 -0.96 3.23 6.06 -1.26 -5.10 118.95 119.26 2yup s ARG 80 Ca -0.06 0.86 -0.19 0.00 -2.50 0.00 0.00 55.73 53.83 2yup s ARG 80 Cb 0.01 0.51 0.12 0.00 0.06 0.00 0.00 34.95 35.64 2yup s ARG 80 CO 0.09 -0.20 1.19 -0.51 -2.50 0.00 0.00 175.30 173.38 2yup s LEU 81 N 2.67 4.78 -0.18 -0.88 1.02 -1.26 -4.72 118.68 120.11 2yup s LEU 81 Ca -0.00 -1.97 -0.09 0.00 0.02 0.00 0.00 54.13 52.08 2yup s LEU 81 Cb -0.09 -2.43 -0.08 0.00 0.02 0.00 0.00 46.19 43.61 2yup s LEU 81 CO -0.17 -1.13 -0.24 0.00 0.02 0.00 0.00 176.35 174.83 2yup s ASP 83 N -6.61 5.87 -0.70 0.00 2.15 -1.26 -4.85 116.67 111.26 2yup s ASP 83 Ca -0.25 2.15 -0.26 0.00 0.43 0.00 0.00 52.55 54.62 2yup s ASP 83 Cb 0.09 -2.52 -0.10 0.00 -0.30 0.00 0.00 42.92 40.10 2yup s ASP 83 CO 0.32 -1.59 2.30 1.51 -0.17 0.00 0.00 175.17 177.55 2yup s ASP 84 N 6.64 4.32 0.15 -0.34 -4.77 -1.26 -4.89 116.67 116.52 2yup s ASP 84 Ca 0.94 0.27 0.03 0.00 -3.30 0.00 0.00 52.55 50.49 2yup s ASP 84 Cb -0.36 -2.54 -0.05 0.00 -1.09 0.00 0.00 42.92 38.89 2yup s ASP 84 CO 0.37 -3.33 -0.05 -0.94 0.70 0.00 0.00 175.17 171.93 2yup s SER 85 N 10.67 1.44 0.34 2.11 1.04 -1.26 -5.17 113.70 122.87 2yup s SER 85 Ca 0.89 -1.09 -0.03 0.00 0.48 0.00 0.00 55.95 56.20 2yup s SER 85 Cb -0.13 0.06 0.00 0.00 0.10 0.00 0.00 66.02 66.05 2yup s SER 85 CO 0.13 -0.47 0.48 -0.83 0.98 0.00 0.00 173.24 173.54 2yup s GLY 86 N -3.16 1.42 0.98 7.32 0.00 -1.26 -5.17 107.32 107.46 2yup s GLY 86 Ca 0.19 -1.47 -0.12 0.00 0.00 0.00 0.00 44.72 43.32 2yup s GLY 86 CO 0.01 -0.97 1.09 2.56 0.00 0.00 0.00 173.10 175.80 2yup s PRO 87 N -3.07 0.54 -0.11 2.90 0.04 -1.26 -5.08 135.00 128.96 2yup s PRO 87 Ca 0.30 0.57 -0.33 0.00 0.04 0.00 0.00 61.00 61.57 2yup s PRO 87 Cb -0.01 -1.75 0.13 0.00 0.04 0.00 0.00 34.50 32.92 2yup s PRO 87 CO 0.20 -2.67 1.18 0.45 0.04 0.00 0.00 177.00 176.20 2yup s SER 88 N -3.45 -0.15 0.13 6.66 0.15 -1.26 -5.14 113.70 110.65 2yup s SER 88 Ca 0.65 -0.05 -0.33 0.00 0.70 0.00 0.00 55.95 56.92 2yup s SER 88 Cb -0.18 0.19 -0.18 0.00 -1.71 0.00 0.00 66.02 64.14 2yup s SER 88 CO 0.57 -0.33 0.78 -1.20 1.20 0.00 0.00 173.24 174.27 2yup n SER 89 N -0.21 -0.52 -0.09 5.45 7.64 -1.26 -5.37 113.62 119.24 2yup n SER 89 Ca -0.03 1.14 0.01 0.00 1.01 0.00 0.00 58.87 61.01 2yup n SER 89 Cb 0.60 -0.97 0.01 0.00 -1.01 0.00 0.00 64.21 62.84 2yup n SER 89 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64