#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yup s SER 2 N 0.00 5.21 -0.33 1.61 0.01 -1.26 -4.98 113.70 113.96 2yup s SER 2 Ca 0.00 0.17 -0.27 0.00 1.31 0.00 0.00 55.95 57.16 2yup s SER 2 Cb 0.00 -1.02 -0.05 0.00 0.21 0.00 0.00 66.02 65.16 2yup s SER 2 CO 0.00 -1.23 2.22 -0.44 0.41 0.00 0.00 173.24 174.20 2yup s SER 3 N -4.43 5.17 -0.18 2.44 0.01 -1.26 -4.81 113.70 110.64 2yup s SER 3 Ca 0.57 1.53 -0.18 0.00 1.31 0.00 0.00 55.95 59.18 2yup s SER 3 Cb -0.10 -2.51 -0.06 0.00 0.21 0.00 0.00 66.02 63.56 2yup s SER 3 CO 0.40 -2.24 -0.35 0.61 0.41 0.00 0.00 173.24 172.08 2yup n GLY 4 N 5.81 -0.53 3.93 3.44 0.00 -1.26 -5.02 105.19 111.55 2yup n GLY 4 Ca 0.31 -0.32 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 2yup n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yup s SER 5 N -5.95 5.68 0.37 1.61 0.01 -1.26 -5.05 113.70 109.11 2yup s SER 5 Ca -0.29 0.55 -0.26 0.00 1.31 0.00 0.00 55.95 57.26 2yup s SER 5 Cb 0.04 -1.64 -0.09 0.00 0.21 0.00 0.00 66.02 64.55 2yup s SER 5 CO 0.43 -0.93 1.15 -0.44 0.41 0.00 0.00 173.24 173.86 2yup s SER 6 N -4.27 6.69 -0.43 2.44 0.01 -1.26 -5.01 113.70 111.87 2yup s SER 6 Ca 0.52 2.32 0.05 0.00 1.31 0.00 0.00 55.95 60.15 2yup s SER 6 Cb -0.10 -2.62 0.17 0.00 0.21 0.00 0.00 66.02 63.69 2yup s SER 6 CO 0.42 -0.55 0.41 0.61 0.41 0.00 0.00 173.24 174.54 2yup n GLY 7 N 0.70 1.66 3.21 3.44 0.00 -1.26 -5.12 105.19 107.82 2yup n GLY 7 Ca 0.03 -1.00 -0.22 0.00 0.00 0.00 0.00 46.02 44.84 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 0.19 1.05 0.49 1.61 3.01 -1.26 -5.14 119.74 119.70 2yup s LYS 8 Ca 0.32 -0.95 -0.21 0.00 -1.01 0.00 0.00 55.97 54.12 2yup s LYS 8 Cb 0.03 -1.15 -0.07 0.00 -1.01 0.00 0.00 37.83 35.63 2yup s LYS 8 CO -0.17 0.28 1.15 -1.25 0.51 0.00 0.00 175.35 175.86 2yup s PRO 9 N -1.49 3.59 0.34 -1.68 0.04 -1.26 -4.93 135.00 129.61 2yup s PRO 9 Ca 0.03 1.71 0.26 0.00 0.04 0.00 0.00 61.00 63.05 2yup s PRO 9 Cb -0.09 -2.24 1.10 0.00 0.04 0.00 0.00 34.50 33.32 2yup s PRO 9 CO 0.02 -0.68 1.79 -1.00 0.04 0.00 0.00 177.00 177.18 2yup h PRO 10 N 1.69 0.00 -5.61 0.56 0.13 -2.06 -3.43 132.00 123.28 2yup h PRO 10 Ca -0.50 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.04 2yup h PRO 10 Cb 1.25 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.28 2yup h PRO 10 CO 0.59 0.00 0.06 -0.08 -0.23 0.00 0.00 178.00 178.34 2yup s THR 11 N -3.42 5.05 -0.83 1.56 -1.32 -1.26 -4.96 115.64 110.46 2yup s THR 11 Ca 0.03 1.10 -0.21 0.00 -1.21 0.00 0.00 61.69 61.40 2yup s THR 11 Cb 0.09 -3.91 -0.20 0.00 -1.51 0.00 0.00 72.50 66.98 2yup s THR 11 CO 0.43 0.13 2.37 0.00 -2.21 0.00 0.00 174.62 175.34 2yup n TYR 12 N 4.99 0.80 -1.09 9.09 4.11 -1.26 -4.68 117.16 129.11 2yup n TYR 12 Ca -0.03 0.05 -0.23 0.00 -0.00 0.00 0.00 57.90 57.69 2yup n TYR 12 Cb 0.50 -1.97 -0.14 0.00 -0.00 0.00 0.00 39.34 37.74 2yup n TYR 12 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.86 177.80 2yup n GLN 13 N 7.82 0.00 -1.54 -3.48 7.27 -1.26 -4.62 117.38 121.57 2yup n GLN 13 Ca 0.54 0.00 -0.60 0.00 0.07 0.00 0.00 57.00 57.01 2yup n GLN 13 Cb 0.32 -0.92 -0.09 0.00 2.41 0.00 0.00 30.24 31.96 2yup n GLN 13 CO 0.00 0.00 0.00 1.55 0.07 0.00 0.00 177.06 178.68 2yup n VAL 14 N 4.76 0.00 -3.71 1.69 3.14 -1.26 -4.92 118.33 118.02 2yup n VAL 14 Ca 0.48 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.76 2yup n VAL 14 Cb 0.06 -0.34 -0.05 0.00 -1.06 0.00 0.00 33.84 32.45 2yup n VAL 14 CO 0.00 0.00 0.00 -1.48 -6.46 0.00 0.00 176.83 168.89 2yup s LEU 15 N 2.05 0.43 0.02 6.55 2.34 -1.26 -5.09 118.68 123.72 2yup s LEU 15 Ca 0.93 -0.44 0.00 0.00 0.06 0.00 0.00 54.13 54.68 2yup s LEU 15 Cb -1.31 1.81 0.00 0.00 -0.56 0.00 0.00 46.19 46.13 2yup s LEU 15 CO 0.69 -0.90 0.00 1.21 -1.06 0.00 0.00 176.35 176.29 2yup n GLU 16 N -0.25 0.00 -2.62 1.48 0.00 -1.26 -5.01 120.64 112.98 2yup n GLU 16 Ca -0.13 0.00 -0.42 0.00 0.00 0.00 0.00 57.16 56.60 2yup n GLU 16 Cb 0.63 -0.42 -0.03 0.00 0.00 0.00 0.00 31.44 31.62 2yup n GLU 16 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 2yup s TYR 17 N -2.00 3.46 0.00 4.31 1.51 -1.26 -3.83 117.35 119.54 2yup s TYR 17 Ca 0.00 1.51 0.00 0.00 -1.01 0.00 0.00 57.07 57.57 2yup s TYR 17 Cb 0.00 -3.24 0.00 0.00 -0.11 0.00 0.00 41.96 38.61 2yup s TYR 17 CO 0.00 -0.50 0.00 0.41 -1.11 0.00 0.00 175.55 174.35 2yup n GLY 18 N 3.13 -2.87 3.04 0.71 0.00 -1.18 -4.82 105.19 103.19 2yup n GLY 18 Ca 0.09 -1.33 -0.13 0.00 0.00 0.00 0.00 46.02 44.65 2yup n GLY 18 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2yup s GLU 19 N -1.70 0.19 0.04 1.61 2.12 -0.39 -3.67 118.70 116.89 2yup s GLU 19 Ca 0.00 0.48 0.04 0.00 0.36 0.00 0.00 54.97 55.86 2yup s GLU 19 Cb 0.00 -0.11 -0.02 0.00 0.26 0.00 0.00 34.13 34.26 2yup s GLU 19 CO 0.00 -0.15 -0.12 0.00 -0.54 0.00 0.00 175.26 174.45 2yup s ALA 20 N 1.14 1.01 -0.18 6.30 0.00 -1.10 -0.88 121.76 128.06 2yup s ALA 20 Ca -0.08 -0.77 0.01 0.00 0.00 0.00 0.00 51.96 51.11 2yup s ALA 20 Cb -0.10 -0.14 0.02 0.00 0.00 0.00 0.00 23.12 22.90 2yup s ALA 20 CO -0.07 0.17 -0.20 0.08 0.00 0.00 0.00 175.76 175.74 2yup s VAL 21 N -0.89 2.09 -0.13 0.00 1.01 0.08 -2.70 120.40 119.86 2yup s VAL 21 Ca -0.00 -0.93 -0.29 0.00 0.00 0.00 0.00 61.98 60.75 2yup s VAL 21 Cb -0.08 -1.87 -0.05 0.00 0.00 0.00 0.00 36.38 34.38 2yup s VAL 21 CO 0.01 0.54 1.83 0.00 0.00 0.00 0.00 175.10 177.48 2yup s ALA 22 N 1.22 3.30 -0.18 5.51 0.00 -1.15 0.18 121.76 130.65 2yup s ALA 22 Ca 0.03 0.82 -0.12 0.00 0.00 0.00 0.00 51.96 52.70 2yup s ALA 22 Cb -0.13 -3.88 -0.21 0.00 0.00 0.00 0.00 23.12 18.90 2yup s ALA 22 CO -0.11 -1.93 0.18 1.04 0.00 0.00 0.00 175.76 174.93 2yup n GLN 23 N 7.76 0.66 -5.28 0.00 1.13 -1.14 -0.63 117.38 119.88 2yup n GLN 23 Ca 0.21 0.36 -0.31 0.00 -1.94 0.00 0.00 57.00 55.32 2yup n GLN 23 Cb 0.44 -1.68 -0.16 0.00 0.11 0.00 0.00 30.24 28.94 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 -2.48 2.39 0.02 1.08 1.51 -1.10 -4.78 117.35 113.99 2yup s TYR 24 Ca -0.28 -0.61 -0.30 0.00 -1.01 0.00 0.00 57.07 54.87 2yup s TYR 24 Cb 0.07 -1.56 -0.06 0.00 -0.11 0.00 0.00 41.96 40.30 2yup s TYR 24 CO 0.66 -0.15 1.47 0.99 -1.11 0.00 0.00 175.55 177.41 2yup s THR 25 N -0.34 3.51 0.43 -0.71 2.01 -1.26 -4.70 115.64 114.58 2yup s THR 25 Ca 0.02 0.93 0.08 0.00 0.31 0.00 0.00 61.69 63.02 2yup s THR 25 Cb -0.12 -3.60 0.00 0.00 0.01 0.00 0.00 72.50 68.80 2yup s THR 25 CO 0.02 0.00 0.50 0.12 -0.69 0.00 0.00 174.62 174.57 2yup s PHE 26 N 2.38 2.63 -0.08 4.92 5.36 -1.22 -5.00 117.98 126.98 2yup s PHE 26 Ca 0.66 -0.48 -0.03 0.00 -0.96 0.00 0.00 56.93 56.13 2yup s PHE 26 Cb -0.34 -2.27 0.04 0.00 -0.34 0.00 0.00 43.02 40.12 2yup s PHE 26 CO 0.28 -0.35 0.16 0.21 -1.46 0.00 0.00 175.22 174.06 2yup s LYS 27 N -4.28 0.08 0.09 10.12 2.20 -1.26 -4.25 119.74 122.44 2yup s LYS 27 Ca 0.52 0.46 -0.15 0.00 -0.36 0.00 0.00 55.97 56.45 2yup s LYS 27 Cb -0.07 -0.21 0.03 0.00 -1.51 0.00 0.00 37.83 36.07 2yup s LYS 27 CO 0.31 -0.22 0.35 0.20 -0.36 0.00 0.00 175.35 175.62 2yup s GLY 28 N 1.64 -0.18 -0.01 5.54 0.00 -1.26 -4.93 107.32 108.12 2yup s GLY 28 Ca -0.04 -0.10 0.00 0.00 0.00 0.00 0.00 44.72 44.58 2yup s GLY 28 CO -0.06 -0.34 -0.01 1.22 0.00 0.00 0.00 173.10 173.91 2yup n ASP 29 N 0.03 4.20 -4.79 1.64 8.00 -1.26 -4.80 116.55 119.57 2yup n ASP 29 Ca -0.17 -0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.04 2yup n ASP 29 Cb 0.62 0.16 0.12 0.00 -0.02 0.00 0.00 41.12 42.00 2yup n ASP 29 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2yup s LEU 30 N -4.74 2.22 0.03 0.64 1.02 -1.26 -4.98 118.68 111.61 2yup s LEU 30 Ca -0.01 1.10 -0.20 0.00 0.02 0.00 0.00 54.13 55.04 2yup s LEU 30 Cb 0.00 -3.53 -0.11 0.00 0.02 0.00 0.00 46.19 42.57 2yup s LEU 30 CO 0.03 -2.36 1.27 -0.08 0.02 0.00 0.00 176.35 175.23 2yup h GLU 31 N -1.36 -0.69 -0.92 1.70 4.81 -1.97 -3.03 114.58 113.11 2yup h GLU 31 Ca -0.49 0.05 0.27 0.00 -0.13 0.00 0.00 59.36 59.05 2yup h GLU 31 Cb 1.31 0.16 -0.15 0.00 0.63 0.00 0.00 28.75 30.70 2yup h GLU 31 CO 0.61 -0.46 0.29 -0.39 -0.73 0.00 0.00 179.01 178.33 2yup h VAL 32 N -0.74 0.26 -1.09 0.32 -1.51 -1.89 -3.28 116.25 108.31 2yup h VAL 32 Ca -0.07 -0.07 -0.49 0.00 -1.23 0.00 0.00 66.70 64.84 2yup h VAL 32 Cb 0.55 0.05 -0.08 0.00 -2.13 0.00 0.00 31.29 29.68 2yup h VAL 32 CO 0.12 0.04 1.21 -1.61 -1.23 0.00 0.00 177.57 176.09 2yup s GLU 33 N -5.86 3.18 -0.23 5.19 2.02 -1.14 -1.37 118.70 120.47 2yup s GLU 33 Ca -0.12 -0.72 -0.11 0.00 0.02 0.00 0.00 54.97 54.05 2yup s GLU 33 Cb 0.28 -5.14 -0.05 0.00 0.10 0.00 0.00 34.13 29.31 2yup s GLU 33 CO 0.78 -2.62 0.20 -1.17 0.02 0.00 0.00 175.26 172.47 2yup s LEU 34 N 6.91 4.12 0.42 1.80 2.96 -0.78 -4.20 118.68 129.91 2yup s LEU 34 Ca 0.54 0.18 0.05 0.00 -0.22 0.00 0.00 54.13 54.68 2yup s LEU 34 Cb -0.03 -2.17 0.01 0.00 0.50 0.00 0.00 46.19 44.49 2yup s LEU 34 CO -0.04 0.04 0.60 -0.94 -1.32 0.00 0.00 176.35 174.69 2yup s SER 35 N 1.05 5.73 0.21 3.68 1.04 -1.26 -4.70 113.70 119.44 2yup s SER 35 Ca 0.09 -0.12 -0.21 0.00 0.48 0.00 0.00 55.95 56.19 2yup s SER 35 Cb -0.14 -1.07 0.05 0.00 0.10 0.00 0.00 66.02 64.96 2yup s SER 35 CO 0.05 -0.71 0.63 0.72 0.98 0.00 0.00 173.24 174.90 2yup s PHE 36 N -2.41 -0.36 -0.24 5.02 -0.12 -1.26 -4.99 117.98 113.62 2yup s PHE 36 Ca 0.51 0.04 -0.09 0.00 -0.05 0.00 0.00 56.93 57.34 2yup s PHE 36 Cb -0.10 0.58 -0.04 0.00 -0.63 0.00 0.00 43.02 42.83 2yup s PHE 36 CO 0.34 -0.99 0.12 1.03 -0.05 0.00 0.00 175.22 175.67 2yup s ARG 37 N -3.83 3.87 -0.37 1.99 3.00 -1.26 -3.37 118.95 118.99 2yup s ARG 37 Ca 0.06 -0.37 -0.37 0.00 0.00 0.00 0.00 55.73 55.04 2yup s ARG 37 Cb -0.03 -3.43 -0.16 0.00 0.00 0.00 0.00 34.95 31.34 2yup s ARG 37 CO -0.05 -0.05 1.23 1.17 0.00 0.00 0.00 175.30 177.60 2yup n LYS 38 N 4.58 0.00 0.00 3.54 4.81 -1.26 -0.33 118.16 129.50 2yup n LYS 38 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.29 2yup n LYS 38 Cb 0.52 -1.18 0.00 0.00 0.02 0.00 0.00 35.03 34.38 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 3.02 1.53 3.60 3.14 0.00 0.20 -4.98 105.19 111.70 2yup n GLY 39 Ca 0.24 -0.07 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 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 0.96 -3.46 1.61 -0.58 0.55 -4.68 120.64 115.04 2yup n GLU 40 Ca 0.00 0.36 -0.43 0.00 -0.42 0.00 0.00 57.16 56.67 2yup n GLU 40 Cb 0.00 -2.10 -0.06 0.00 -0.57 0.00 0.00 31.44 28.71 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 -1.49 3.50 -0.06 -0.32 3.76 -1.26 -2.93 115.29 116.49 2yup s HIS 41 Ca 0.72 -1.96 -0.25 0.00 -0.15 0.00 0.00 55.06 53.42 2yup s HIS 41 Cb -0.44 -3.61 -0.03 0.00 1.11 0.00 0.00 32.58 29.60 2yup s HIS 41 CO 0.50 -0.97 0.79 0.42 -0.85 0.00 0.00 174.74 174.63 2yup s ILE 42 N 0.75 4.98 -0.03 0.60 1.01 -1.10 -4.84 121.20 122.56 2yup s ILE 42 Ca 0.11 1.64 -0.27 0.00 0.00 0.00 0.00 60.65 62.13 2yup s ILE 42 Cb -0.20 -4.13 -0.03 0.00 0.01 0.00 0.00 42.46 38.10 2yup s ILE 42 CO -0.03 0.20 0.86 0.00 0.00 0.00 0.00 174.94 175.96 2yup s LEU 44 N 0.93 3.98 0.00 0.00 1.43 -1.24 -2.99 118.68 120.79 2yup s LEU 44 Ca 0.45 -0.00 0.00 0.00 -1.03 0.00 0.00 54.13 53.55 2yup s LEU 44 Cb -0.19 -3.11 0.00 0.00 0.03 0.00 0.00 46.19 42.92 2yup s LEU 44 CO 0.23 -1.14 0.00 -0.38 0.23 0.00 0.00 176.35 175.30 2yup n ILE 45 N 6.40 0.00 -4.39 -0.59 5.41 -1.00 -3.11 119.36 122.07 2yup n ILE 45 Ca 0.05 0.28 -0.20 0.00 1.00 0.00 0.00 62.75 63.87 2yup n ILE 45 Cb 0.48 -0.93 -0.15 0.00 -0.71 0.00 0.00 39.64 38.33 2yup n ILE 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2yup s ARG 46 N -0.55 0.98 -0.46 0.38 1.70 -1.22 -4.89 118.95 114.89 2yup s ARG 46 Ca 0.00 -0.31 -0.27 0.00 -0.47 0.00 0.00 55.73 54.68 2yup s ARG 46 Cb 0.00 -0.91 -0.02 0.00 -0.57 0.00 0.00 34.95 33.44 2yup s ARG 46 CO 0.00 0.11 1.88 0.21 -1.08 0.00 0.00 175.30 176.42 2yup s LYS 47 N 0.21 2.92 0.30 3.89 2.20 -1.26 -3.04 119.74 124.96 2yup s LYS 47 Ca -0.03 1.08 0.04 0.00 -0.36 0.00 0.00 55.97 56.70 2yup s LYS 47 Cb -0.09 -4.31 0.49 0.00 -1.51 0.00 0.00 37.83 32.41 2yup s LYS 47 CO 0.01 -2.35 1.76 -0.24 -0.36 0.00 0.00 175.35 174.16 2yup h VAL 48 N 6.92 1.25 -2.44 4.02 3.04 -1.90 -3.47 116.25 123.67 2yup h VAL 48 Ca -0.30 -1.19 0.16 0.00 -1.01 0.00 0.00 66.70 64.37 2yup h VAL 48 Cb 1.17 1.35 -0.06 0.00 -2.01 0.00 0.00 31.29 31.75 2yup h VAL 48 CO 1.12 0.37 0.53 0.20 -1.01 0.00 0.00 177.57 178.78 2yup s ASN 49 N -6.82 -0.08 0.00 3.17 0.01 -1.17 -4.94 114.94 105.10 2yup s ASN 49 Ca -0.06 -0.56 0.27 0.00 -0.71 0.00 0.00 52.86 51.79 2yup s ASN 49 Cb 0.14 0.51 1.55 0.00 0.41 0.00 0.00 41.25 43.85 2yup s ASN 49 CO 0.78 -0.97 1.94 -1.84 -1.51 0.00 0.00 177.10 175.49 2yup n GLU 50 N -0.58 0.75 0.00 -0.60 0.28 -1.26 -3.50 120.64 115.74 2yup n GLU 50 Ca -0.05 0.01 0.00 0.00 -0.16 0.00 0.00 57.16 56.96 2yup n GLU 50 Cb 0.60 -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 -1.05 3.58 -4.88 -1.84 3.02 -1.26 -5.05 115.26 107.78 2yup n ASN 51 Ca 0.19 0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.53 2yup n ASN 51 Cb 0.11 0.28 -0.03 0.00 -0.61 0.00 0.00 39.78 39.53 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 2.85 -0.07 3.10 0.52 -1.23 -1.86 118.94 120.50 2yup s TRP 52 Ca 0.00 -0.36 -0.04 0.00 0.02 0.00 0.00 56.10 55.72 2yup s TRP 52 Cb 0.00 -1.97 0.04 0.00 -1.15 0.00 0.00 33.47 30.38 2yup s TRP 52 CO 0.00 0.03 0.16 0.71 0.02 0.00 0.00 176.95 177.87 2yup s TYR 53 N -2.35 -0.19 -0.48 -1.98 2.02 -0.12 -3.06 117.35 111.19 2yup s TYR 53 Ca 0.45 0.53 -0.19 0.00 -0.37 0.00 0.00 57.07 57.48 2yup s TYR 53 Cb -0.06 -0.04 0.04 0.00 -0.40 0.00 0.00 41.96 41.50 2yup s TYR 53 CO 0.28 -0.17 0.60 -2.00 -1.57 0.00 0.00 175.55 172.68 2yup s GLU 54 N 1.07 3.15 0.27 -0.62 2.12 -1.17 -1.00 118.70 122.52 2yup s GLU 54 Ca -0.08 -0.75 0.04 0.00 0.36 0.00 0.00 54.97 54.54 2yup s GLU 54 Cb -0.10 -4.04 -0.06 0.00 0.26 0.00 0.00 34.13 30.19 2yup s GLU 54 CO -0.06 -1.11 -0.00 0.20 -0.54 0.00 0.00 175.26 173.75 2yup s GLY 55 N 2.38 1.77 -0.05 -1.50 0.00 -0.31 -2.37 107.32 107.23 2yup s GLY 55 Ca 0.16 -1.88 0.04 0.00 0.00 0.00 0.00 44.72 43.04 2yup s GLY 55 CO 0.14 -1.75 -0.16 1.09 0.00 0.00 0.00 173.10 172.41 2yup s ARG 56 N -3.83 2.52 -1.25 2.90 1.04 -1.16 -2.14 118.95 117.03 2yup s ARG 56 Ca 0.31 -0.74 -0.09 0.00 -1.04 0.00 0.00 55.73 54.18 2yup s ARG 56 Cb 0.06 -2.34 0.19 0.00 -2.04 0.00 0.00 34.95 30.82 2yup s ARG 56 CO 0.11 0.57 1.81 -0.89 -0.04 0.00 0.00 175.30 176.86 2yup n ILE 57 N 2.44 4.51 -0.92 4.99 2.08 -0.26 -3.69 119.36 128.51 2yup n ILE 57 Ca -0.17 -4.65 -0.35 0.00 0.56 0.00 0.00 62.75 58.13 2yup n ILE 57 Cb 0.52 -2.31 0.07 0.00 -0.75 0.00 0.00 39.64 37.17 2yup n ILE 57 CO 0.00 0.00 0.00 1.07 0.56 0.00 0.00 176.55 178.18 2yup n THR 58 N 3.02 0.00 0.00 1.39 5.66 -1.26 -2.32 114.28 120.77 2yup n THR 58 Ca 0.37 -0.33 0.00 0.00 -3.05 0.00 0.00 64.05 61.05 2yup n THR 58 Cb 0.36 -0.22 0.00 0.00 -1.55 0.00 0.00 70.33 68.92 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 2.84 2.70 0.64 1.09 0.00 -1.26 -4.53 105.19 106.67 2yup n GLY 59 Ca 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.55 0.26 0.00 2.61 -2.24 -0.98 -5.07 114.28 108.31 2yup n THR 60 Ca 0.00 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 2yup n THR 60 Cb 0.00 -1.33 0.00 0.00 -2.10 0.00 0.00 70.33 66.90 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 2.85 3.31 3.52 3.38 0.00 -0.99 -5.09 105.19 112.17 2yup n GLY 61 Ca -0.09 -1.07 -0.47 0.00 0.00 0.00 0.00 46.02 44.39 2yup n GLY 61 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2yup n ARG 62 N 0.00 0.83 -3.98 1.61 1.85 -1.26 -4.65 116.66 111.05 2yup n ARG 62 Ca 0.00 0.29 -0.08 0.00 -1.00 0.00 0.00 57.85 57.06 2yup n ARG 62 Cb 0.00 -1.58 -0.09 0.00 -1.05 0.00 0.00 32.46 29.73 2yup n ARG 62 CO 0.00 0.00 0.00 -1.14 -0.01 0.00 0.00 177.63 176.48 2yup s GLN 63 N -1.06 0.61 0.00 2.89 -0.44 -1.26 -1.10 119.66 119.30 2yup s GLN 63 Ca 0.65 -0.95 0.00 0.00 -2.50 0.00 0.00 55.36 52.56 2yup s GLN 63 Cb -0.83 0.23 0.00 0.00 -1.64 0.00 0.00 33.01 30.77 2yup s GLN 63 CO 0.57 -0.14 0.00 0.41 0.50 0.00 0.00 175.29 176.63 2yup n GLY 64 N 0.47 -1.07 3.84 2.59 0.00 -0.91 -4.79 105.19 105.33 2yup n GLY 64 Ca -0.17 -1.10 -0.21 0.00 0.00 0.00 0.00 46.02 44.53 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 3.81 0.08 -0.61 -4.36 -0.47 -1.17 121.20 115.48 2yup s ILE 65 Ca 0.00 -1.40 -0.23 0.00 -0.26 0.00 0.00 60.65 58.76 2yup s ILE 65 Cb 0.00 -3.24 0.06 0.00 1.25 0.00 0.00 42.46 40.52 2yup s ILE 65 CO 0.00 -0.23 0.56 0.72 0.24 0.00 0.00 174.94 176.22 2yup s PHE 66 N -2.25 -0.47 0.27 1.37 -0.12 -0.17 -1.87 117.98 114.73 2yup s PHE 66 Ca 0.38 0.44 -0.29 0.00 -0.05 0.00 0.00 56.93 57.41 2yup s PHE 66 Cb -0.06 0.42 -0.10 0.00 -0.63 0.00 0.00 43.02 42.65 2yup s PHE 66 CO 0.26 -0.72 1.26 -1.25 -0.05 0.00 0.00 175.22 174.72 2yup s PRO 67 N -2.88 4.44 0.01 1.99 0.04 -1.26 -0.95 135.00 136.39 2yup s PRO 67 Ca -0.03 2.06 -0.25 0.00 0.04 0.00 0.00 61.00 62.82 2yup s PRO 67 Cb -0.00 -3.14 -0.16 0.00 0.04 0.00 0.00 34.50 31.23 2yup s PRO 67 CO -0.05 -0.11 1.19 0.00 0.04 0.00 0.00 177.00 178.07 2yup h ALA 68 N 4.18 -0.56 -1.16 8.56 0.00 -1.69 -2.92 119.26 125.68 2yup h ALA 68 Ca -0.47 -0.19 0.34 0.00 0.00 0.00 0.00 54.91 54.59 2yup h ALA 68 Cb 1.22 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 19.18 2yup h ALA 68 CO 0.70 -0.65 1.20 0.45 0.00 0.00 0.00 179.25 180.95 2yup n SER 69 N -5.20 0.00 0.07 0.00 2.88 -1.26 0.22 113.62 110.33 2yup n SER 69 Ca -0.10 0.76 -0.22 0.00 -1.33 0.00 0.00 58.87 57.99 2yup n SER 69 Cb 0.29 -0.29 -0.15 0.00 -0.75 0.00 0.00 64.21 63.31 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 0.66 -1.32 0.66 -1.99 -1.90 -3.47 116.97 109.60 2yup h TYR 70 Ca 0.55 -0.48 -0.44 0.00 2.00 0.00 0.00 58.73 60.37 2yup h TYR 70 Cb 2.95 -0.03 0.02 0.00 2.00 0.00 0.00 36.73 41.67 2yup h TYR 70 CO 0.00 1.43 -0.23 0.14 -0.00 0.00 0.00 178.16 179.49 2yup s VAL 71 N -2.49 2.83 -0.20 -2.88 -7.23 0.60 -2.69 120.40 108.34 2yup s VAL 71 Ca -0.13 -1.01 -0.04 0.00 -1.81 0.00 0.00 61.98 58.98 2yup s VAL 71 Cb 0.02 -2.84 -0.02 0.00 0.56 0.00 0.00 36.38 34.11 2yup s VAL 71 CO 0.85 0.00 -0.03 -1.58 -0.31 0.00 0.00 175.10 174.03 2yup s GLN 72 N -4.40 3.50 -0.50 4.82 2.00 0.13 -4.81 119.66 120.39 2yup s GLN 72 Ca 0.56 -0.58 -0.25 0.00 -2.00 0.00 0.00 55.36 53.09 2yup s GLN 72 Cb -0.09 -3.01 0.03 0.00 0.80 0.00 0.00 33.01 30.74 2yup s GLN 72 CO 0.34 -0.05 0.94 0.08 -0.50 0.00 0.00 175.29 176.09 2yup s VAL 73 N 1.14 4.42 -0.24 1.34 1.01 -1.26 -0.74 120.40 126.07 2yup s VAL 73 Ca 0.02 0.57 0.07 0.00 0.00 0.00 0.00 61.98 62.65 2yup s VAL 73 Cb -0.15 -4.48 -0.20 0.00 0.00 0.00 0.00 36.38 31.55 2yup s VAL 73 CO 0.00 -0.96 -0.11 -0.24 0.00 0.00 0.00 175.10 173.79 2yup n SER 74 N 7.33 1.29 -3.73 3.32 2.88 -0.05 -4.94 113.62 119.71 2yup n SER 74 Ca 0.05 -0.08 -0.21 0.00 -1.33 0.00 0.00 58.87 57.30 2yup n SER 74 Cb 0.48 0.07 -0.18 0.00 -0.75 0.00 0.00 64.21 63.84 2yup n SER 74 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2yup s ARG 75 N -2.51 0.23 0.25 -1.46 3.00 -0.47 -4.87 118.95 113.12 2yup s ARG 75 Ca -0.26 0.23 -0.22 0.00 0.00 0.00 0.00 55.73 55.48 2yup s ARG 75 Cb 0.08 -0.67 -0.09 0.00 0.00 0.00 0.00 34.95 34.27 2yup s ARG 75 CO 0.68 -0.29 0.81 -1.21 0.00 0.00 0.00 175.30 175.29 2yup s GLU 76 N 1.91 4.39 1.21 3.54 2.02 -1.26 -1.27 118.70 129.25 2yup s GLU 76 Ca 0.03 1.05 -0.20 0.00 0.02 0.00 0.00 54.97 55.86 2yup s GLU 76 Cb -0.12 -2.87 0.30 0.00 0.10 0.00 0.00 34.13 31.53 2yup s GLU 76 CO -0.04 0.36 1.08 -0.35 0.02 0.00 0.00 175.26 176.33 2yup n PRO 77 N 0.72 -3.13 0.00 0.39 -0.04 -1.26 -4.49 135.00 127.19 2yup n PRO 77 Ca -0.01 -1.72 0.00 0.00 -0.04 0.00 0.00 63.50 61.73 2yup n PRO 77 Cb 0.51 -1.62 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 2yup n PRO 77 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2yup n ARG 78 N -4.80 0.00 -3.81 0.54 0.63 -1.25 -4.85 116.66 103.12 2yup n ARG 78 Ca 0.15 0.32 -0.23 0.00 -0.92 0.00 0.00 57.85 57.16 2yup n ARG 78 Cb 0.58 -1.15 -0.07 0.00 0.45 0.00 0.00 32.46 32.26 2yup n ARG 78 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2yup n LEU 79 N -1.45 -0.69 0.03 6.15 7.99 -1.26 -4.77 117.00 123.00 2yup n LEU 79 Ca 0.00 -0.93 0.03 0.00 -0.01 0.00 0.00 56.01 55.10 2yup n LEU 79 Cb 0.00 -1.15 -0.08 0.00 -0.11 0.00 0.00 43.42 42.08 2yup n LEU 79 CO 0.00 0.32 -0.34 -1.14 -1.51 0.00 0.00 177.39 174.72 2yup n ARG 80 N -3.57 0.63 -0.31 3.23 3.00 -1.26 -3.51 116.66 114.87 2yup n ARG 80 Ca -0.22 0.14 0.16 0.00 -0.00 0.00 0.00 57.85 57.93 2yup n ARG 80 Cb 0.49 -1.76 0.33 0.00 0.00 0.00 0.00 32.46 31.53 2yup n ARG 80 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 2yup h LEU 81 N 0.00 0.06 0.00 6.15 3.38 -2.03 -2.97 115.31 119.90 2yup h LEU 81 Ca -0.14 0.21 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 2yup h LEU 81 Cb 1.45 0.26 -0.02 0.00 0.09 0.00 0.00 40.66 42.44 2yup h LEU 81 CO 0.03 -0.18 -1.02 0.00 0.09 0.00 0.00 178.44 177.36 2yup n ASP 83 N -4.50 -4.71 -0.04 0.00 2.03 -1.13 -4.93 116.55 103.27 2yup n ASP 83 Ca -0.20 -0.52 -0.14 0.00 0.52 0.00 0.00 54.79 54.44 2yup n ASP 83 Cb 0.49 -4.72 -0.08 0.00 -0.72 0.00 0.00 41.12 36.08 2yup n ASP 83 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 2yup h ASP 84 N -2.26 0.39 -3.26 1.67 3.58 -1.91 -3.43 116.42 111.20 2yup h ASP 84 Ca -0.53 -0.56 -0.57 0.00 0.42 0.00 0.00 57.03 55.79 2yup h ASP 84 Cb 1.33 -0.11 -0.05 0.00 1.72 0.00 0.00 39.33 42.22 2yup h ASP 84 CO 0.50 0.88 0.50 -0.44 -2.88 0.00 0.00 179.24 177.80 2yup s SER 85 N -6.25 7.11 0.00 2.28 0.01 -1.26 -4.89 113.70 110.69 2yup s SER 85 Ca -0.14 1.36 0.00 0.00 1.31 0.00 0.00 55.95 58.48 2yup s SER 85 Cb 0.04 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.77 2yup s SER 85 CO 0.76 -0.44 0.00 0.61 0.41 0.00 0.00 173.24 174.58 2yup n GLY 86 N 3.26 -1.84 3.77 3.44 0.00 -1.26 -5.17 105.19 107.40 2yup n GLY 86 Ca 0.07 0.92 -0.32 0.00 0.00 0.00 0.00 46.02 46.69 2yup n GLY 86 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yup s PRO 87 N 0.00 2.51 0.17 1.61 0.04 -1.26 -5.07 135.00 133.00 2yup s PRO 87 Ca 0.00 1.27 -0.23 0.00 0.04 0.00 0.00 61.00 62.08 2yup s PRO 87 Cb 0.00 -1.92 0.06 0.00 0.04 0.00 0.00 34.50 32.68 2yup s PRO 87 CO 0.00 -1.46 0.65 -1.12 0.04 0.00 0.00 177.00 175.11 2yup s SER 88 N -3.01 -0.49 -1.76 6.66 0.01 -1.26 -4.95 113.70 108.90 2yup s SER 88 Ca 0.64 -0.11 -0.17 0.00 1.31 0.00 0.00 55.95 57.61 2yup s SER 88 Cb -0.19 0.60 0.17 0.00 0.21 0.00 0.00 66.02 66.81 2yup s SER 88 CO 0.49 -1.00 0.55 -1.54 0.41 0.00 0.00 173.24 172.14 2yup n SER 89 N -0.38 -1.70 0.00 2.44 3.41 -1.26 -5.36 113.62 110.77 2yup n SER 89 Ca -0.14 -1.18 0.00 0.00 -0.26 0.00 0.00 58.87 57.29 2yup n SER 89 Cb 0.64 -1.99 0.00 0.00 -0.26 0.00 0.00 64.21 62.60 2yup n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49