#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 1.81 -4.10 1.61 7.64 -1.26 -5.01 113.62 114.31 2yup n SER 2 Ca 0.00 0.08 -0.33 0.00 1.01 0.00 0.00 58.87 59.64 2yup n SER 2 Cb 0.00 -0.37 -0.01 0.00 -1.01 0.00 0.00 64.21 62.81 2yup n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2yup n SER 3 N -3.39 -2.93 0.00 6.43 2.88 -1.26 -4.65 113.62 110.69 2yup n SER 3 Ca -0.29 -0.96 0.00 0.00 -1.33 0.00 0.00 58.87 56.29 2yup n SER 3 Cb 0.74 -3.05 0.00 0.00 -0.75 0.00 0.00 64.21 61.15 2yup n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yup n GLY 4 N -1.59 3.14 0.42 0.46 0.00 -1.26 -4.98 105.19 101.39 2yup n GLY 4 Ca -0.02 -1.34 -0.16 0.00 0.00 0.00 0.00 46.02 44.50 2yup n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2yup h SER 5 N 0.00 -1.01 -3.17 1.61 0.02 -2.03 -3.38 113.55 105.59 2yup h SER 5 Ca 0.00 0.06 -0.55 0.00 -0.84 0.00 0.00 61.79 60.45 2yup h SER 5 Cb 0.00 0.30 -0.07 0.00 0.14 0.00 0.00 62.40 62.77 2yup h SER 5 CO 0.00 -0.61 1.00 -0.44 -1.14 0.00 0.00 176.83 175.65 2yup s SER 6 N -3.73 6.40 -0.01 3.07 0.01 -1.26 -5.01 113.70 113.16 2yup s SER 6 Ca -0.15 0.21 -0.06 0.00 1.31 0.00 0.00 55.95 57.26 2yup s SER 6 Cb 0.02 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.66 2yup s SER 6 CO 0.48 -1.51 0.23 -0.83 0.41 0.00 0.00 173.24 172.03 2yup s GLY 7 N 3.26 2.22 0.59 3.44 0.00 -1.26 -5.06 107.32 110.50 2yup s GLY 7 Ca 0.46 -0.63 -0.18 0.00 0.00 0.00 0.00 44.72 44.37 2yup s GLY 7 CO 0.26 -0.45 0.70 0.58 0.00 0.00 0.00 173.10 174.19 2yup n LYS 8 N 1.16 0.65 -1.16 2.90 2.85 -1.26 -4.96 118.16 118.34 2yup n LYS 8 Ca -0.12 0.25 -0.29 0.00 -1.05 0.00 0.00 58.31 57.11 2yup n LYS 8 Cb 0.53 -1.89 0.18 0.00 -0.65 0.00 0.00 35.03 33.20 2yup n LYS 8 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 2yup s PRO 9 N -2.37 0.38 0.06 -1.58 0.04 -1.26 -4.99 135.00 125.28 2yup s PRO 9 Ca 0.72 0.51 -0.18 0.00 0.04 0.00 0.00 61.00 62.09 2yup s PRO 9 Cb -0.43 -1.73 -0.12 0.00 0.04 0.00 0.00 34.50 32.25 2yup s PRO 9 CO 0.51 -2.77 1.37 -1.00 0.04 0.00 0.00 177.00 175.15 2yup h PRO 10 N -1.92 0.47 0.00 0.56 0.13 -2.05 -3.43 132.00 125.76 2yup h PRO 10 Ca -0.55 -0.25 0.00 0.00 -0.87 0.00 0.00 66.00 64.33 2yup h PRO 10 Cb 1.33 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.47 2yup h PRO 10 CO 0.57 0.82 -0.03 0.25 -0.23 0.00 0.00 178.00 179.39 2yup n THR 11 N -4.46 0.63 -3.29 1.56 -2.24 -1.26 -5.11 114.28 100.12 2yup n THR 11 Ca -0.05 0.21 0.03 0.00 -2.27 0.00 0.00 64.05 61.97 2yup n THR 11 Cb 0.40 -1.33 -0.03 0.00 -2.10 0.00 0.00 70.33 67.26 2yup n THR 11 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 2yup s TYR 12 N -1.53 -0.55 -2.05 4.78 1.13 -1.26 -5.02 117.35 112.84 2yup s TYR 12 Ca -0.01 0.84 0.18 0.00 -1.41 0.00 0.00 57.07 56.67 2yup s TYR 12 Cb 0.00 0.29 0.25 0.00 -1.10 0.00 0.00 41.96 41.39 2yup s TYR 12 CO 0.01 -0.28 1.17 0.94 -2.51 0.00 0.00 175.55 174.88 2yup n GLN 13 N 5.04 1.88 -0.76 -3.49 -0.06 -1.26 -4.62 117.38 114.12 2yup n GLN 13 Ca -0.08 -1.81 -0.07 0.00 -2.00 0.00 0.00 57.00 53.04 2yup n GLN 13 Cb 0.53 -1.37 -0.09 0.00 -4.06 0.00 0.00 30.24 25.25 2yup n GLN 13 CO 0.00 0.00 0.00 1.33 -0.20 0.00 0.00 177.06 178.19 2yup n VAL 14 N 1.06 2.49 -0.05 1.69 0.24 -1.26 -4.32 118.33 118.18 2yup n VAL 14 Ca 0.13 -1.03 -0.01 0.00 -2.04 0.00 0.00 64.34 61.39 2yup n VAL 14 Cb 0.48 -1.77 -0.00 0.00 -1.47 0.00 0.00 33.84 31.08 2yup n VAL 14 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 2yup h LEU 15 N 4.14 0.00 0.43 1.34 4.07 -1.99 -3.42 115.31 119.89 2yup h LEU 15 Ca 0.10 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.04 2yup h LEU 15 Cb 1.26 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.00 2yup h LEU 15 CO 0.13 0.52 -0.21 -0.08 -1.08 0.00 0.00 178.44 177.72 2yup h GLU 16 N -0.93 -0.56 -6.37 1.13 4.57 -1.92 -3.42 114.58 107.09 2yup h GLU 16 Ca 0.00 0.04 -0.55 0.00 -1.18 0.00 0.00 59.36 57.67 2yup h GLU 16 Cb 0.10 0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.81 2yup h GLU 16 CO 0.00 -0.37 0.65 0.71 -1.18 0.00 0.00 179.01 178.82 2yup s TYR 17 N -3.44 3.26 0.91 0.92 2.02 -1.26 -4.27 117.35 115.50 2yup s TYR 17 Ca -0.08 1.23 -0.12 0.00 -0.37 0.00 0.00 57.07 57.73 2yup s TYR 17 Cb 0.01 -3.42 0.14 0.00 -0.40 0.00 0.00 41.96 38.28 2yup s TYR 17 CO 0.25 -1.32 1.10 0.20 -1.57 0.00 0.00 175.55 174.22 2yup s GLY 18 N 1.36 1.59 -0.05 0.71 0.00 0.67 -4.68 107.32 106.92 2yup s GLY 18 Ca 0.57 -0.30 0.06 0.00 0.00 0.00 0.00 44.72 45.05 2yup s GLY 18 CO 0.25 0.23 -0.22 1.85 0.00 0.00 0.00 173.10 175.20 2yup s GLU 19 N -5.07 2.23 0.24 2.90 2.56 -1.01 -2.41 118.70 118.13 2yup s GLU 19 Ca 0.64 -0.81 -0.09 0.00 0.00 0.00 0.00 54.97 54.71 2yup s GLU 19 Cb -0.17 -1.93 -0.01 0.00 2.00 0.00 0.00 34.13 34.02 2yup s GLU 19 CO 0.56 0.36 0.39 0.00 -0.56 0.00 0.00 175.26 176.00 2yup s ALA 20 N -0.15 0.20 -0.02 6.30 0.00 -1.25 -1.08 121.76 125.76 2yup s ALA 20 Ca -0.02 -1.14 -0.01 0.00 0.00 0.00 0.00 51.96 50.79 2yup s ALA 20 Cb -0.12 1.16 0.03 0.00 0.00 0.00 0.00 23.12 24.18 2yup s ALA 20 CO 0.03 -0.78 0.04 0.08 0.00 0.00 0.00 175.76 175.13 2yup s VAL 21 N -3.98 -0.05 -0.51 0.00 1.01 0.21 -3.94 120.40 113.15 2yup s VAL 21 Ca 0.27 0.17 -0.27 0.00 0.00 0.00 0.00 61.98 62.15 2yup s VAL 21 Cb 0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 36.38 36.28 2yup s VAL 21 CO 0.11 0.07 1.81 0.00 0.00 0.00 0.00 175.10 177.08 2yup s ALA 22 N 0.87 2.45 -0.13 5.51 0.00 -1.04 -0.23 121.76 129.19 2yup s ALA 22 Ca -0.07 -0.33 -0.28 0.00 0.00 0.00 0.00 51.96 51.28 2yup s ALA 22 Cb -0.10 -4.19 -0.26 0.00 0.00 0.00 0.00 23.12 18.57 2yup s ALA 22 CO -0.03 -3.39 0.77 1.96 0.00 0.00 0.00 175.76 175.07 2yup h GLN 23 N 13.99 0.03 -5.70 0.00 1.08 -1.76 -0.63 115.11 122.13 2yup h GLN 23 Ca -0.28 -0.06 -0.57 0.00 -1.45 0.00 0.00 58.65 56.29 2yup h GLN 23 Cb 1.16 0.02 -0.30 0.00 -0.05 0.00 0.00 27.48 28.31 2yup h GLN 23 CO 1.15 1.03 -0.84 0.71 -0.95 0.00 0.00 178.83 179.92 2yup s TYR 24 N -2.25 1.71 0.23 2.96 1.51 -0.41 -4.80 117.35 116.30 2yup s TYR 24 Ca -0.19 -0.37 -0.31 0.00 -1.01 0.00 0.00 57.07 55.20 2yup s TYR 24 Cb -0.02 -1.11 -0.11 0.00 -0.11 0.00 0.00 41.96 40.61 2yup s TYR 24 CO 0.70 -0.06 1.55 0.99 -1.11 0.00 0.00 175.55 177.61 2yup s THR 25 N -0.33 2.42 0.18 -0.71 2.01 -1.26 -4.76 115.64 113.20 2yup s THR 25 Ca 0.05 0.33 0.07 0.00 0.31 0.00 0.00 61.69 62.45 2yup s THR 25 Cb -0.08 -3.21 -0.04 0.00 0.01 0.00 0.00 72.50 69.17 2yup s THR 25 CO 0.00 0.04 0.06 0.12 -0.69 0.00 0.00 174.62 174.15 2yup s PHE 26 N 0.43 2.96 -0.05 4.92 5.36 -1.19 -5.01 117.98 125.40 2yup s PHE 26 Ca 0.65 -0.10 0.06 0.00 -0.96 0.00 0.00 56.93 56.58 2yup s PHE 26 Cb -0.45 -1.41 -0.01 0.00 -0.34 0.00 0.00 43.02 40.81 2yup s PHE 26 CO 0.40 0.53 -0.23 0.21 -1.46 0.00 0.00 175.22 174.66 2yup s LYS 27 N -3.12 2.34 -0.00 10.12 2.36 -1.26 -4.06 119.74 126.11 2yup s LYS 27 Ca 0.29 -0.84 -0.28 0.00 -2.55 0.00 0.00 55.97 52.59 2yup s LYS 27 Cb -0.09 -2.01 0.09 0.00 -1.05 0.00 0.00 37.83 34.76 2yup s LYS 27 CO 0.21 0.36 0.76 0.20 1.55 0.00 0.00 175.35 178.44 2yup s GLY 28 N -0.16 -0.51 0.00 5.54 0.00 -1.26 -4.93 107.32 106.00 2yup s GLY 28 Ca -0.03 1.16 0.00 0.00 0.00 0.00 0.00 44.72 45.85 2yup s GLY 28 CO 0.03 0.62 0.00 2.09 0.00 0.00 0.00 173.10 175.84 2yup n ASP 29 N 0.27 2.50 -4.76 1.64 5.75 -1.26 -4.82 116.55 115.87 2yup n ASP 29 Ca -0.15 0.00 -0.38 0.00 -0.01 0.00 0.00 54.79 54.25 2yup n ASP 29 Cb 0.60 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.71 2yup n ASP 29 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2yup s LEU 30 N -5.06 3.96 0.19 -2.12 1.43 -1.26 -4.91 118.68 110.90 2yup s LEU 30 Ca 0.00 2.58 -0.22 0.00 -1.03 0.00 0.00 54.13 55.46 2yup s LEU 30 Cb 0.00 -4.22 0.11 0.00 0.03 0.00 0.00 46.19 42.12 2yup s LEU 30 CO 0.00 -1.23 1.58 -0.08 0.23 0.00 0.00 176.35 176.85 2yup h GLU 31 N 1.83 -0.16 -0.75 1.70 4.81 -1.97 0.12 114.58 120.17 2yup h GLU 31 Ca -0.50 0.01 0.13 0.00 -0.13 0.00 0.00 59.36 58.87 2yup h GLU 31 Cb 1.27 0.04 -0.09 0.00 0.63 0.00 0.00 28.75 30.60 2yup h GLU 31 CO 0.59 -0.11 0.34 -0.39 -0.73 0.00 0.00 179.01 178.71 2yup h VAL 32 N -0.17 0.73 -1.64 0.32 -1.51 -1.91 -3.35 116.25 108.73 2yup h VAL 32 Ca 0.23 -0.18 -0.48 0.00 -1.23 0.00 0.00 66.70 65.04 2yup h VAL 32 Cb 0.56 0.16 -0.06 0.00 -2.13 0.00 0.00 31.29 29.82 2yup h VAL 32 CO -0.70 0.10 1.16 -1.61 -1.23 0.00 0.00 177.57 175.29 2yup s GLU 33 N -6.02 2.92 -0.12 5.19 2.02 0.43 -0.55 118.70 122.57 2yup s GLU 33 Ca -0.12 -0.12 -0.13 0.00 0.02 0.00 0.00 54.97 54.61 2yup s GLU 33 Cb 0.20 -4.66 -0.05 0.00 0.10 0.00 0.00 34.13 29.72 2yup s GLU 33 CO 0.77 -2.64 0.31 -1.17 0.02 0.00 0.00 175.26 172.54 2yup s LEU 34 N 7.73 4.32 0.47 1.80 2.96 -0.94 -4.18 118.68 130.84 2yup s LEU 34 Ca 0.56 0.62 0.08 0.00 -0.22 0.00 0.00 54.13 55.17 2yup s LEU 34 Cb -0.08 -2.39 0.02 0.00 0.50 0.00 0.00 46.19 44.24 2yup s LEU 34 CO 0.09 0.19 0.55 -0.94 -1.32 0.00 0.00 176.35 174.92 2yup s SER 35 N -0.10 5.24 -0.19 3.68 1.04 -1.26 -4.73 113.70 117.38 2yup s SER 35 Ca 0.18 -0.71 -0.29 0.00 0.48 0.00 0.00 55.95 55.61 2yup s SER 35 Cb -0.14 -0.29 0.14 0.00 0.10 0.00 0.00 66.02 65.82 2yup s SER 35 CO 0.06 -0.90 1.06 0.72 0.98 0.00 0.00 173.24 175.16 2yup s PHE 36 N -2.51 -0.33 -0.01 5.02 -0.12 -1.26 -4.99 117.98 113.78 2yup s PHE 36 Ca 0.52 0.60 -0.16 0.00 -0.05 0.00 0.00 56.93 57.85 2yup s PHE 36 Cb -0.06 0.45 -0.06 0.00 -0.63 0.00 0.00 43.02 42.72 2yup s PHE 36 CO 0.32 -0.28 0.43 1.03 -0.05 0.00 0.00 175.22 176.66 2yup s ARG 37 N -0.93 4.01 0.22 1.99 1.81 -1.26 -3.14 118.95 121.64 2yup s ARG 37 Ca 0.00 0.44 -0.28 0.00 -1.72 0.00 0.00 55.73 54.17 2yup s ARG 37 Cb -0.01 -3.25 -0.16 0.00 -0.45 0.00 0.00 34.95 31.07 2yup s ARG 37 CO -0.01 0.61 0.66 1.17 -0.68 0.00 0.00 175.30 177.05 2yup n LYS 38 N 2.07 0.35 0.00 3.54 4.81 -1.26 -1.34 118.16 126.32 2yup n LYS 38 Ca -0.13 0.12 0.00 0.00 -0.87 0.00 0.00 58.31 57.43 2yup n LYS 38 Cb 0.52 -1.23 0.00 0.00 0.02 0.00 0.00 35.03 34.34 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 1.80 2.78 3.50 3.14 0.00 -0.24 -4.97 105.19 111.19 2yup n GLY 39 Ca 0.16 -0.66 -0.37 0.00 0.00 0.00 0.00 46.02 45.15 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 0.51 -3.79 1.61 -0.58 -0.45 -4.61 120.64 113.33 2yup n GLU 40 Ca 0.00 0.21 -0.36 0.00 -0.42 0.00 0.00 57.16 56.59 2yup n GLU 40 Cb 0.00 -1.83 -0.13 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 -1.74 3.05 -0.26 -0.32 3.76 -1.26 -2.49 115.29 116.03 2yup s HIS 41 Ca 0.69 -0.56 -0.09 0.00 -0.15 0.00 0.00 55.06 54.96 2yup s HIS 41 Cb -0.41 -2.21 -0.04 0.00 1.11 0.00 0.00 32.58 31.04 2yup s HIS 41 CO 0.54 -0.41 0.12 0.42 -0.85 0.00 0.00 174.74 174.56 2yup s ILE 42 N 1.58 4.74 -0.55 0.60 1.01 -1.25 -4.03 121.20 123.31 2yup s ILE 42 Ca 0.06 -0.03 -0.28 0.00 0.00 0.00 0.00 60.65 60.40 2yup s ILE 42 Cb -0.15 -3.23 0.03 0.00 0.01 0.00 0.00 42.46 39.11 2yup s ILE 42 CO 0.02 0.30 1.24 0.00 0.00 0.00 0.00 174.94 176.50 2yup s LEU 44 N 5.09 3.26 -0.03 0.00 1.43 -1.01 -3.09 118.68 124.33 2yup s LEU 44 Ca 0.47 0.03 -0.07 0.00 -1.03 0.00 0.00 54.13 53.52 2yup s LEU 44 Cb -0.08 -2.54 -0.04 0.00 0.03 0.00 0.00 46.19 43.56 2yup s LEU 44 CO 0.27 -2.38 0.42 0.40 0.23 0.00 0.00 176.35 175.29 2yup h ILE 45 N 6.88 0.00 -3.90 -0.59 2.04 -1.86 0.19 117.51 120.26 2yup h ILE 45 Ca -0.18 -0.44 -0.22 0.00 1.00 0.00 0.00 64.86 65.02 2yup h ILE 45 Cb 1.12 0.00 -0.24 0.00 -0.74 0.00 0.00 36.82 36.96 2yup h ILE 45 CO 1.23 0.00 -0.72 -0.13 0.00 0.00 0.00 178.15 178.53 2yup s ARG 46 N -2.43 0.28 -0.41 2.37 0.52 -1.15 -4.75 118.95 113.37 2yup s ARG 46 Ca -0.04 -0.43 -0.29 0.00 -0.52 0.00 0.00 55.73 54.45 2yup s ARG 46 Cb 0.00 -0.05 0.02 0.00 0.52 0.00 0.00 34.95 35.45 2yup s ARG 46 CO 0.12 -0.00 1.09 0.21 0.02 0.00 0.00 175.30 176.74 2yup s LYS 47 N -0.96 3.86 -0.02 3.54 2.20 -1.26 -2.83 119.74 124.27 2yup s LYS 47 Ca -0.09 0.75 -0.24 0.00 -0.36 0.00 0.00 55.97 56.03 2yup s LYS 47 Cb -0.07 -3.83 -0.20 0.00 -1.51 0.00 0.00 37.83 32.22 2yup s LYS 47 CO -0.00 -1.16 1.21 -0.24 -0.36 0.00 0.00 175.35 174.80 2yup h VAL 48 N 6.00 1.43 -4.53 4.02 3.04 -1.89 -3.47 116.25 120.86 2yup h VAL 48 Ca -0.22 -1.42 -0.39 0.00 -1.01 0.00 0.00 66.70 63.66 2yup h VAL 48 Cb 1.06 2.28 -0.10 0.00 -2.01 0.00 0.00 31.29 32.52 2yup h VAL 48 CO 1.08 0.39 -0.33 0.20 -1.01 0.00 0.00 177.57 177.90 2yup s ASN 49 N -5.96 1.41 0.00 3.17 0.01 -1.01 -5.00 114.94 107.56 2yup s ASN 49 Ca -0.16 -1.66 0.27 0.00 -0.71 0.00 0.00 52.86 50.60 2yup s ASN 49 Cb 0.02 0.63 1.54 0.00 0.41 0.00 0.00 41.25 43.85 2yup s ASN 49 CO 0.71 -1.21 1.95 -1.84 -1.51 0.00 0.00 177.10 175.20 2yup n GLU 50 N -0.62 0.71 0.00 -0.60 0.28 -1.26 -3.91 120.64 115.24 2yup n GLU 50 Ca 0.04 0.01 0.00 0.00 -0.16 0.00 0.00 57.16 57.06 2yup n GLU 50 Cb 0.62 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.99 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 -1.08 1.31 -4.87 -1.84 3.02 -1.26 -5.04 115.26 105.49 2yup n ASN 51 Ca 0.18 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.42 2yup n ASN 51 Cb 0.13 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.25 2yup n ASN 51 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 2yup s TRP 52 N -1.76 3.43 -0.09 3.10 0.52 -1.25 -1.31 118.94 121.57 2yup s TRP 52 Ca 0.00 0.96 0.02 0.00 0.02 0.00 0.00 56.10 57.10 2yup s TRP 52 Cb 0.00 -2.34 0.02 0.00 -1.15 0.00 0.00 33.47 29.99 2yup s TRP 52 CO 0.00 0.14 -0.13 0.71 0.02 0.00 0.00 176.95 177.69 2yup s TYR 53 N -2.00 1.73 -0.41 -1.98 2.02 0.53 -2.40 117.35 114.84 2yup s TYR 53 Ca 0.49 -0.77 -0.19 0.00 -0.37 0.00 0.00 57.07 56.24 2yup s TYR 53 Cb -0.11 -1.28 0.01 0.00 -0.40 0.00 0.00 41.96 40.19 2yup s TYR 53 CO 0.23 -0.42 0.52 -2.00 -1.57 0.00 0.00 175.55 172.32 2yup s GLU 54 N 0.99 3.31 0.00 -0.62 2.12 -1.13 -1.84 118.70 121.53 2yup s GLU 54 Ca -0.08 -0.46 0.00 0.00 0.36 0.00 0.00 54.97 54.79 2yup s GLU 54 Cb -0.15 -3.91 0.00 0.00 0.26 0.00 0.00 34.13 30.33 2yup s GLU 54 CO -0.01 -0.84 0.00 0.41 -0.54 0.00 0.00 175.26 174.28 2yup n GLY 55 N 5.00 5.19 3.24 -1.50 0.00 -0.39 -2.93 105.19 113.79 2yup n GLY 55 Ca -0.05 -1.49 -0.13 0.00 0.00 0.00 0.00 46.02 44.36 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 0.50 -0.50 1.61 1.04 -1.18 -1.85 118.95 119.22 2yup s ARG 56 Ca 0.00 0.24 -0.29 0.00 -1.04 0.00 0.00 55.73 54.65 2yup s ARG 56 Cb 0.00 0.23 0.03 0.00 -2.04 0.00 0.00 34.95 33.17 2yup s ARG 56 CO 0.00 -0.10 1.16 0.42 -0.04 0.00 0.00 175.30 176.74 2yup s ILE 57 N -0.36 4.15 0.53 4.99 -1.09 -1.11 -2.85 121.20 125.47 2yup s ILE 57 Ca -0.05 1.15 -0.20 0.00 -2.23 0.00 0.00 60.65 59.33 2yup s ILE 57 Cb -0.03 -4.61 -0.09 0.00 -1.58 0.00 0.00 42.46 36.14 2yup s ILE 57 CO 0.02 -1.07 0.68 1.07 -1.23 0.00 0.00 174.94 174.41 2yup n THR 58 N 6.84 2.49 0.00 2.92 5.66 -1.26 -2.05 114.28 128.88 2yup n THR 58 Ca 0.12 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 60.62 2yup n THR 58 Cb 0.49 -0.82 0.00 0.00 -1.55 0.00 0.00 70.33 68.45 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 1.60 1.62 3.96 1.09 0.00 -1.26 -4.94 105.19 107.26 2yup n GLY 59 Ca 0.12 -0.17 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.10 5.24 -0.25 2.61 -4.23 -0.87 -5.00 115.64 113.04 2yup s THR 60 Ca 0.00 -0.84 0.01 0.00 -1.18 0.00 0.00 61.69 59.68 2yup s THR 60 Cb 0.00 -3.84 0.27 0.00 1.34 0.00 0.00 72.50 70.26 2yup s THR 60 CO 0.00 -0.34 1.67 0.61 -0.54 0.00 0.00 174.62 176.02 2yup n GLY 61 N -1.36 3.54 3.91 3.99 0.00 -1.26 -4.60 105.19 109.40 2yup n GLY 61 Ca -0.08 -0.74 -0.29 0.00 0.00 0.00 0.00 46.02 44.91 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 -1.63 3.60 -0.28 1.61 0.52 -1.26 -5.04 118.95 116.47 2yup s ARG 62 Ca 0.28 -0.12 -0.24 0.00 -0.52 0.00 0.00 55.73 55.13 2yup s ARG 62 Cb 0.23 -2.75 0.10 0.00 0.52 0.00 0.00 34.95 33.05 2yup s ARG 62 CO 0.03 0.33 0.90 -1.14 0.02 0.00 0.00 175.30 175.44 2yup s GLN 63 N -3.27 0.64 0.00 3.54 0.74 -1.26 -2.75 119.66 117.30 2yup s GLN 63 Ca 0.42 0.78 0.00 0.00 0.05 0.00 0.00 55.36 56.61 2yup s GLN 63 Cb -0.11 0.30 0.00 0.00 1.10 0.00 0.00 33.01 34.30 2yup s GLN 63 CO 0.28 -0.08 0.00 0.41 -0.55 0.00 0.00 175.29 175.35 2yup n GLY 64 N 2.52 -1.27 3.91 2.59 0.00 -0.77 -4.83 105.19 107.34 2yup n GLY 64 Ca -0.13 -0.88 -0.20 0.00 0.00 0.00 0.00 46.02 44.81 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 -3.00 3.11 -0.07 -0.61 -4.36 0.29 -1.26 121.20 115.30 2yup s ILE 65 Ca 0.00 -1.24 -0.29 0.00 -0.26 0.00 0.00 60.65 58.85 2yup s ILE 65 Cb 0.00 -3.09 0.10 0.00 1.25 0.00 0.00 42.46 40.72 2yup s ILE 65 CO 0.00 -0.06 0.88 0.72 0.24 0.00 0.00 174.94 176.71 2yup s PHE 66 N -2.37 -0.43 0.25 1.37 -0.12 -0.77 -2.22 117.98 113.70 2yup s PHE 66 Ca 0.47 0.57 -0.30 0.00 -0.05 0.00 0.00 56.93 57.62 2yup s PHE 66 Cb -0.06 0.48 -0.09 0.00 -0.63 0.00 0.00 43.02 42.72 2yup s PHE 66 CO 0.29 -0.49 1.27 -1.25 -0.05 0.00 0.00 175.22 174.99 2yup s PRO 67 N -1.96 4.43 0.00 1.99 0.04 -1.26 -0.35 135.00 137.89 2yup s PRO 67 Ca -0.01 2.05 0.23 0.00 0.04 0.00 0.00 61.00 63.31 2yup s PRO 67 Cb -0.01 -3.16 1.34 0.00 0.04 0.00 0.00 34.50 32.71 2yup s PRO 67 CO -0.01 -0.15 1.73 0.00 0.04 0.00 0.00 177.00 178.61 2yup n ALA 68 N 1.88 2.33 0.46 8.56 0.00 -0.43 -2.52 120.51 130.79 2yup n ALA 68 Ca 0.03 -0.14 0.09 0.00 0.00 0.00 0.00 53.44 53.42 2yup n ALA 68 Cb 0.43 -1.37 0.25 0.00 0.00 0.00 0.00 19.45 18.76 2yup n ALA 68 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2yup n SER 69 N -1.02 2.70 0.00 0.00 7.64 -1.26 -3.92 113.62 117.75 2yup n SER 69 Ca 0.17 -1.96 0.00 0.00 1.01 0.00 0.00 58.87 58.08 2yup n SER 69 Cb 0.09 -0.30 0.00 0.00 -1.01 0.00 0.00 64.21 62.98 2yup n SER 69 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2yup n TYR 70 N 0.98 0.00 -4.33 1.43 4.02 -1.05 -4.97 117.16 113.24 2yup n TYR 70 Ca 0.17 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.88 2yup n TYR 70 Cb 0.44 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.66 2yup n TYR 70 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 2yup s VAL 71 N -1.79 1.67 -0.20 -0.72 -7.23 -1.25 -1.29 120.40 109.59 2yup s VAL 71 Ca 0.00 -2.09 -0.05 0.00 -1.81 0.00 0.00 61.98 58.03 2yup s VAL 71 Cb 0.00 -1.93 -0.02 0.00 0.56 0.00 0.00 36.38 34.99 2yup s VAL 71 CO 0.00 -0.53 -0.01 -1.58 -0.31 0.00 0.00 175.10 172.66 2yup s GLN 72 N -3.38 3.54 -0.26 4.82 0.74 0.68 -4.84 119.66 120.96 2yup s GLN 72 Ca 0.19 -0.56 -0.11 0.00 0.05 0.00 0.00 55.36 54.94 2yup s GLN 72 Cb -0.02 -3.05 -0.05 0.00 1.10 0.00 0.00 33.01 30.99 2yup s GLN 72 CO 0.06 -0.05 0.17 0.54 -0.55 0.00 0.00 175.29 175.46 2yup s VAL 73 N 1.14 5.28 -0.05 1.34 0.11 -1.26 0.67 120.40 127.62 2yup s VAL 73 Ca 0.02 0.16 -0.03 0.00 -2.93 0.00 0.00 61.98 59.20 2yup s VAL 73 Cb -0.14 -3.49 -0.27 0.00 -1.53 0.00 0.00 36.38 30.95 2yup s VAL 73 CO 0.01 0.30 0.64 0.28 -3.33 0.00 0.00 175.10 172.99 2yup h SER 74 N 7.99 0.36 -3.09 3.54 0.02 -1.47 -3.44 113.55 117.47 2yup h SER 74 Ca -0.36 -0.64 -0.58 0.00 -0.84 0.00 0.00 61.79 59.37 2yup h SER 74 Cb 1.18 -0.12 -0.40 0.00 0.14 0.00 0.00 62.40 63.20 2yup h SER 74 CO 0.60 1.55 -0.76 -0.60 -1.14 0.00 0.00 176.83 176.48 2yup s ARG 75 N -2.59 0.66 0.52 3.45 3.52 -1.16 -4.99 118.95 118.36 2yup s ARG 75 Ca -0.14 -1.07 -0.21 0.00 -0.13 0.00 0.00 55.73 54.18 2yup s ARG 75 Cb 0.07 -1.83 -0.07 0.00 -1.56 0.00 0.00 34.95 31.55 2yup s ARG 75 CO 0.82 -1.02 1.01 0.39 -0.81 0.00 0.00 175.30 175.70 2yup n GLU 76 N 4.76 1.17 -2.21 5.12 4.71 -1.26 -2.42 120.64 130.52 2yup n GLU 76 Ca -0.01 0.44 -0.42 0.00 -0.01 0.00 0.00 57.16 57.16 2yup n GLU 76 Cb 0.41 -2.16 -0.03 0.00 -1.01 0.00 0.00 31.44 28.65 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 -2.46 4.35 -0.36 3.49 0.04 -1.26 -4.81 135.00 133.99 2yup s PRO 77 Ca 0.70 2.04 -0.11 0.00 0.04 0.00 0.00 61.00 63.67 2yup s PRO 77 Cb -0.47 -3.24 0.02 0.00 0.04 0.00 0.00 34.50 30.85 2yup s PRO 77 CO 0.52 -0.37 0.21 0.50 0.04 0.00 0.00 177.00 177.90 2yup s ARG 78 N 0.74 2.99 -0.34 4.56 3.00 -1.26 -4.95 118.95 123.69 2yup s ARG 78 Ca 0.62 -0.97 0.06 0.00 -1.00 0.00 0.00 55.73 54.44 2yup s ARG 78 Cb -0.36 -3.73 0.46 0.00 0.00 0.00 0.00 34.95 31.32 2yup s ARG 78 CO 0.32 -0.63 1.37 1.28 0.00 0.00 0.00 175.30 177.65 2yup n LEU 79 N 5.02 4.97 -2.95 -0.88 7.99 -1.26 -4.92 117.00 124.97 2yup n LEU 79 Ca -0.12 -4.42 -0.14 0.00 -0.01 0.00 0.00 56.01 51.31 2yup n LEU 79 Cb 0.47 -0.51 0.07 0.00 -0.11 0.00 0.00 43.42 43.34 2yup n LEU 79 CO 0.36 1.79 0.10 0.54 -1.51 0.00 0.00 177.39 178.68 2yup n ARG 80 N -0.86 -5.45 -1.89 3.23 5.12 -1.26 -4.94 116.66 110.61 2yup n ARG 80 Ca 0.42 0.68 -0.31 0.00 -1.93 0.00 0.00 57.85 56.71 2yup n ARG 80 Cb 0.90 -5.20 0.04 0.00 -1.16 0.00 0.00 32.46 27.04 2yup n ARG 80 CO 0.00 0.00 0.00 1.47 -1.93 0.00 0.00 177.63 177.17 2yup n LEU 81 N -3.58 6.16 -4.66 0.55 -0.00 -1.26 -5.01 117.00 109.19 2yup n LEU 81 Ca -0.20 -4.72 -0.29 0.00 -0.00 0.00 0.00 56.01 50.81 2yup n LEU 81 Cb 0.62 -0.68 -0.10 0.00 -0.00 0.00 0.00 43.42 43.27 2yup n LEU 81 CO 0.49 1.89 -0.27 0.00 -0.00 0.00 0.00 177.39 179.50 2yup n ASP 83 N -1.07 1.01 -4.96 0.00 2.03 -1.26 -5.07 116.55 107.24 2yup n ASP 83 Ca -0.08 0.15 -0.22 0.00 0.52 0.00 0.00 54.79 55.17 2yup n ASP 83 Cb 0.67 -0.36 -0.01 0.00 -0.72 0.00 0.00 41.12 40.70 2yup n ASP 83 CO 0.00 0.00 0.00 1.51 -1.92 0.00 0.00 177.20 176.79 2yup s ASP 84 N -5.86 6.24 -0.01 1.67 1.47 -1.26 -5.12 116.67 113.80 2yup s ASP 84 Ca -0.09 0.19 -0.05 0.00 1.18 0.00 0.00 52.55 53.78 2yup s ASP 84 Cb 0.02 -1.83 0.00 0.00 -0.34 0.00 0.00 42.92 40.77 2yup s ASP 84 CO 0.12 -0.23 0.11 -0.94 0.68 0.00 0.00 175.17 174.91 2yup s SER 85 N -4.03 0.01 0.00 2.11 1.04 -1.26 -5.14 113.70 106.42 2yup s SER 85 Ca 0.38 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.70 2yup s SER 85 Cb -0.09 0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.23 2yup s SER 85 CO 0.32 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.90 2yup n GLY 86 N 1.98 0.99 0.00 7.32 0.00 -1.26 -4.98 105.19 109.24 2yup n GLY 86 Ca -0.20 -0.73 0.06 0.00 0.00 0.00 0.00 46.02 45.15 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 0.00 0.49 -3.72 1.61 -0.04 -1.26 -4.67 135.00 127.40 2yup n PRO 87 Ca 0.00 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.11 2yup n PRO 87 Cb 0.00 -1.35 -0.08 0.00 -0.04 0.00 0.00 33.50 32.02 2yup n PRO 87 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2yup s SER 88 N -1.86 6.20 0.08 3.54 0.01 -1.26 -5.02 113.70 115.40 2yup s SER 88 Ca 0.17 0.22 -0.28 0.00 1.31 0.00 0.00 55.95 57.37 2yup s SER 88 Cb 0.08 -2.09 -0.12 0.00 0.21 0.00 0.00 66.02 64.09 2yup s SER 88 CO 0.13 0.17 1.44 -1.28 0.41 0.00 0.00 173.24 174.11 2yup h SER 89 N 6.75 -1.22 0.00 2.44 0.87 -2.04 -3.50 113.55 116.85 2yup h SER 89 Ca -0.41 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 2yup h SER 89 Cb 1.15 0.44 0.00 0.00 -0.44 0.00 0.00 62.40 63.55 2yup h SER 89 CO 0.75 -0.46 0.00 0.61 -0.53 0.00 0.00 176.83 177.20