#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 -0.36 0.20 1.61 0.01 -1.26 -5.19 113.70 108.71 2yup s SER 2 Ca 0.00 -0.07 -0.05 0.00 1.31 0.00 0.00 55.95 57.14 2yup s SER 2 Cb 0.00 0.43 -0.03 0.00 0.21 0.00 0.00 66.02 66.63 2yup s SER 2 CO 0.00 -0.71 0.24 -0.94 0.41 0.00 0.00 173.24 172.23 2yup s SER 3 N -2.59 0.08 -0.37 2.44 1.04 -1.26 -5.11 113.70 107.94 2yup s SER 3 Ca 0.06 -1.20 0.01 0.00 0.48 0.00 0.00 55.95 55.30 2yup s SER 3 Cb -0.01 0.44 0.28 0.00 0.10 0.00 0.00 66.02 66.82 2yup s SER 3 CO -0.08 -0.92 1.19 0.61 0.98 0.00 0.00 173.24 175.02 2yup n GLY 4 N -0.28 -1.20 3.43 7.32 0.00 -1.26 -5.15 105.19 108.05 2yup n GLY 4 Ca -0.00 0.74 -0.31 0.00 0.00 0.00 0.00 46.02 46.44 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 -0.61 3.72 -0.51 1.61 0.01 -1.26 -5.04 113.70 111.61 2yup s SER 5 Ca 0.26 -0.38 0.03 0.00 1.31 0.00 0.00 55.95 57.16 2yup s SER 5 Cb 0.23 -0.61 0.43 0.00 0.21 0.00 0.00 66.02 66.28 2yup s SER 5 CO -0.13 0.29 1.55 -0.24 0.41 0.00 0.00 173.24 175.11 2yup n SER 6 N 1.88 6.09 0.00 2.44 2.88 -1.26 -5.07 113.62 120.57 2yup n SER 6 Ca -0.16 -3.77 0.00 0.00 -1.33 0.00 0.00 58.87 53.61 2yup n SER 6 Cb 0.52 -0.66 0.00 0.00 -0.75 0.00 0.00 64.21 63.32 2yup n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yup n GLY 7 N -0.70 0.74 3.39 0.46 0.00 -1.26 -4.66 105.19 103.15 2yup n GLY 7 Ca 0.50 -0.80 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 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 2.88 0.51 1.61 -2.85 -1.26 -5.12 119.74 115.52 2yup s LYS 8 Ca 0.00 -0.74 -0.21 0.00 -1.00 0.00 0.00 55.97 54.02 2yup s LYS 8 Cb 0.00 -2.43 -0.06 0.00 -2.06 0.00 0.00 37.83 33.27 2yup s LYS 8 CO 0.00 0.40 1.14 -1.25 0.10 0.00 0.00 175.35 175.74 2yup s PRO 9 N -0.16 3.52 0.75 1.78 0.04 -1.26 -5.02 135.00 134.65 2yup s PRO 9 Ca -0.01 1.67 -0.11 0.00 0.04 0.00 0.00 61.00 62.58 2yup s PRO 9 Cb -0.14 -2.16 0.05 0.00 0.04 0.00 0.00 34.50 32.29 2yup s PRO 9 CO 0.03 -0.73 1.09 -1.25 0.04 0.00 0.00 177.00 176.19 2yup s PRO 10 N -3.06 2.36 -0.13 0.56 0.04 -1.26 -5.07 135.00 128.45 2yup s PRO 10 Ca 0.69 1.21 -0.06 0.00 0.04 0.00 0.00 61.00 62.89 2yup s PRO 10 Cb -0.26 -1.91 0.06 0.00 0.04 0.00 0.00 34.50 32.43 2yup s PRO 10 CO 0.30 -1.57 0.28 0.95 0.04 0.00 0.00 177.00 177.00 2yup s THR 11 N -2.80 -0.21 -0.81 1.26 -4.23 -1.26 -5.09 115.64 102.50 2yup s THR 11 Ca 0.62 0.19 -0.25 0.00 -1.18 0.00 0.00 61.69 61.07 2yup s THR 11 Cb -0.18 -0.44 -0.04 0.00 1.34 0.00 0.00 72.50 73.18 2yup s THR 11 CO 0.53 0.08 1.94 -0.47 -0.54 0.00 0.00 174.62 176.16 2yup s TYR 12 N 1.77 1.74 -0.34 3.99 6.14 -1.26 -4.77 117.35 124.62 2yup s TYR 12 Ca -0.05 0.73 0.06 0.00 0.64 0.00 0.00 57.07 58.44 2yup s TYR 12 Cb -0.11 -4.03 0.45 0.00 0.42 0.00 0.00 41.96 38.69 2yup s TYR 12 CO -0.09 -1.91 1.26 0.94 0.64 0.00 0.00 175.55 176.39 2yup n GLN 13 N 8.95 3.51 0.01 4.97 7.27 -1.26 -4.70 117.38 136.13 2yup n GLN 13 Ca 0.35 -4.12 -0.19 0.00 0.07 0.00 0.00 57.00 53.10 2yup n GLN 13 Cb 0.48 -2.28 -0.14 0.00 2.41 0.00 0.00 30.24 30.71 2yup n GLN 13 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 2yup h VAL 14 N 2.12 0.71 -1.22 1.69 2.07 -1.89 -3.37 116.25 116.36 2yup h VAL 14 Ca 0.39 -2.43 0.41 0.00 0.82 0.00 0.00 66.70 65.89 2yup h VAL 14 Cb 1.40 2.54 -0.11 0.00 -1.52 0.00 0.00 31.29 33.59 2yup h VAL 14 CO 0.85 0.84 0.80 0.00 0.02 0.00 0.00 177.57 180.07 2yup n LEU 15 N -3.43 0.16 0.15 2.57 -0.00 -1.26 0.90 117.00 116.09 2yup n LEU 15 Ca -0.28 1.15 -0.13 0.00 -0.00 0.00 0.00 56.01 56.75 2yup n LEU 15 Cb 1.05 -0.56 -0.08 0.00 -0.00 0.00 0.00 43.42 43.83 2yup n LEU 15 CO 0.45 -1.24 0.50 -0.08 -0.00 0.00 0.00 177.39 177.02 2yup h GLU 16 N 0.00 -0.39 -6.98 1.47 4.57 -1.95 -3.44 114.58 107.85 2yup h GLU 16 Ca 0.75 0.03 -0.45 0.00 -1.18 0.00 0.00 59.36 58.51 2yup h GLU 16 Cb 2.49 0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 31.15 2yup h GLU 16 CO -0.36 -0.06 0.34 0.71 -1.18 0.00 0.00 179.01 178.46 2yup s TYR 17 N -4.42 3.49 1.14 0.92 2.02 0.26 -4.35 117.35 116.40 2yup s TYR 17 Ca -0.14 1.69 -0.16 0.00 -0.37 0.00 0.00 57.07 58.09 2yup s TYR 17 Cb 0.02 -2.89 0.26 0.00 -0.40 0.00 0.00 41.96 38.95 2yup s TYR 17 CO 0.52 0.03 1.08 0.20 -1.57 0.00 0.00 175.55 175.81 2yup s GLY 18 N -1.91 1.55 0.05 0.71 0.00 -0.45 -4.81 107.32 102.46 2yup s GLY 18 Ca 0.57 -0.62 0.07 0.00 0.00 0.00 0.00 44.72 44.73 2yup s GLY 18 CO 0.18 0.15 -0.19 1.85 0.00 0.00 0.00 173.10 175.09 2yup s GLU 19 N -5.10 1.25 0.02 2.90 2.12 -0.51 -2.20 118.70 117.18 2yup s GLU 19 Ca 0.68 -0.94 -0.21 0.00 0.36 0.00 0.00 54.97 54.86 2yup s GLU 19 Cb -0.15 -1.36 0.04 0.00 0.26 0.00 0.00 34.13 32.92 2yup s GLU 19 CO 0.58 0.34 0.47 0.00 -0.54 0.00 0.00 175.26 176.11 2yup s ALA 20 N -0.87 -1.20 -0.08 6.30 0.00 -1.18 -2.69 121.76 122.05 2yup s ALA 20 Ca 0.06 0.56 0.02 0.00 0.00 0.00 0.00 51.96 52.60 2yup s ALA 20 Cb -0.09 0.27 0.01 0.00 0.00 0.00 0.00 23.12 23.31 2yup s ALA 20 CO 0.02 -0.43 -0.13 0.08 0.00 0.00 0.00 175.76 175.30 2yup s VAL 21 N -2.10 1.22 -0.07 0.00 1.01 -0.57 -2.84 120.40 117.04 2yup s VAL 21 Ca -0.07 -0.51 -0.30 0.00 0.00 0.00 0.00 61.98 61.10 2yup s VAL 21 Cb -0.01 -1.12 -0.06 0.00 0.00 0.00 0.00 36.38 35.19 2yup s VAL 21 CO 0.01 0.38 1.75 0.00 0.00 0.00 0.00 175.10 177.23 2yup s ALA 22 N 0.78 3.50 -0.18 5.51 0.00 -1.14 -0.32 121.76 129.91 2yup s ALA 22 Ca -0.12 0.94 -0.03 0.00 0.00 0.00 0.00 51.96 52.75 2yup s ALA 22 Cb -0.16 -3.80 -0.22 0.00 0.00 0.00 0.00 23.12 18.94 2yup s ALA 22 CO 0.02 -1.60 0.11 1.04 0.00 0.00 0.00 175.76 175.33 2yup n GLN 23 N 7.40 0.71 -4.58 0.00 1.13 -1.17 0.22 117.38 121.09 2yup n GLN 23 Ca 0.19 0.21 -0.24 0.00 -1.94 0.00 0.00 57.00 55.22 2yup n GLN 23 Cb 0.43 -1.63 -0.16 0.00 0.11 0.00 0.00 30.24 28.99 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 -2.54 1.41 -0.15 1.08 1.51 -1.14 -4.78 117.35 112.73 2yup s TYR 24 Ca -0.28 -0.49 -0.29 0.00 -1.01 0.00 0.00 57.07 55.00 2yup s TYR 24 Cb 0.08 -1.03 -0.05 0.00 -0.11 0.00 0.00 41.96 40.84 2yup s TYR 24 CO 0.70 -0.25 1.99 0.99 -1.11 0.00 0.00 175.55 177.87 2yup s THR 25 N 0.58 3.19 0.44 -0.71 2.01 -1.26 -4.62 115.64 115.27 2yup s THR 25 Ca -0.13 0.21 -0.00 0.00 0.31 0.00 0.00 61.69 62.08 2yup s THR 25 Cb -0.15 -3.20 -0.01 0.00 0.01 0.00 0.00 72.50 69.15 2yup s THR 25 CO 0.03 -0.09 0.67 0.12 -0.69 0.00 0.00 174.62 174.66 2yup s PHE 26 N 6.43 3.27 -0.05 4.92 5.36 -1.02 -4.99 117.98 131.91 2yup s PHE 26 Ca 0.89 0.29 -0.02 0.00 -0.96 0.00 0.00 56.93 57.13 2yup s PHE 26 Cb -0.33 -2.27 0.03 0.00 -0.34 0.00 0.00 43.02 40.10 2yup s PHE 26 CO 0.36 -0.31 0.04 0.21 -1.46 0.00 0.00 175.22 174.06 2yup s LYS 27 N -4.55 0.10 0.01 10.12 2.20 -1.26 -4.02 119.74 122.34 2yup s LYS 27 Ca 0.47 0.31 -0.01 0.00 -0.36 0.00 0.00 55.97 56.38 2yup s LYS 27 Cb -0.10 -0.64 -0.01 0.00 -1.51 0.00 0.00 37.83 35.57 2yup s LYS 27 CO 0.38 -0.32 0.01 0.20 -0.36 0.00 0.00 175.35 175.26 2yup s GLY 28 N 2.12 0.11 -0.15 5.54 0.00 -1.26 -5.00 107.32 108.68 2yup s GLY 28 Ca 0.05 -0.27 0.06 0.00 0.00 0.00 0.00 44.72 44.56 2yup s GLY 28 CO -0.04 -0.32 -0.07 1.34 0.00 0.00 0.00 173.10 174.02 2yup n ASP 29 N 2.21 2.28 -4.60 1.64 -0.08 -1.26 -4.72 116.55 112.02 2yup n ASP 29 Ca -0.19 -0.05 -0.30 0.00 -1.51 0.00 0.00 54.79 52.74 2yup n ASP 29 Cb 0.57 0.19 0.20 0.00 2.34 0.00 0.00 41.12 44.42 2yup n ASP 29 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 2yup s LEU 30 N -5.57 1.89 0.05 -2.67 1.43 -1.26 -4.95 118.68 107.61 2yup s LEU 30 Ca -0.16 1.80 -0.22 0.00 -1.03 0.00 0.00 54.13 54.53 2yup s LEU 30 Cb 0.05 -3.99 -0.13 0.00 0.03 0.00 0.00 46.19 42.15 2yup s LEU 30 CO 0.46 -3.51 1.48 -0.33 0.23 0.00 0.00 176.35 174.68 2yup h GLU 31 N -2.15 0.23 -0.61 1.70 5.08 -1.97 -3.15 114.58 113.70 2yup h GLU 31 Ca -0.52 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 57.72 2yup h GLU 31 Cb 1.30 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.50 2yup h GLU 31 CO 0.47 0.47 0.21 -0.39 -1.00 0.00 0.00 179.01 178.77 2yup h VAL 32 N -0.04 1.24 -0.68 3.13 -1.51 -1.92 -3.39 116.25 113.08 2yup h VAL 32 Ca 0.04 -0.79 -0.18 0.00 -1.23 0.00 0.00 66.70 64.54 2yup h VAL 32 Cb 0.37 0.60 -0.02 0.00 -2.13 0.00 0.00 31.29 30.11 2yup h VAL 32 CO 0.01 0.31 0.48 -1.61 -1.23 0.00 0.00 177.57 175.53 2yup s GLU 33 N -5.46 2.05 -0.21 5.19 0.41 -1.19 -0.54 118.70 118.95 2yup s GLU 33 Ca -0.13 0.27 -0.26 0.00 -0.41 0.00 0.00 54.97 54.44 2yup s GLU 33 Cb 0.13 -4.85 -0.00 0.00 -1.78 0.00 0.00 34.13 27.63 2yup s GLU 33 CO 0.81 -3.87 0.90 -1.17 -0.49 0.00 0.00 175.26 171.44 2yup s LEU 34 N 12.54 4.13 0.13 1.80 2.96 -1.00 -4.45 118.68 134.78 2yup s LEU 34 Ca 0.83 1.21 -0.11 0.00 -0.22 0.00 0.00 54.13 55.84 2yup s LEU 34 Cb -0.11 -3.33 -0.06 0.00 0.50 0.00 0.00 46.19 43.19 2yup s LEU 34 CO 0.07 -0.52 0.47 -0.44 -1.32 0.00 0.00 176.35 174.61 2yup s SER 35 N 1.23 6.69 0.12 3.68 0.01 -1.26 -4.78 113.70 119.39 2yup s SER 35 Ca 0.39 0.89 -0.13 0.00 1.31 0.00 0.00 55.95 58.42 2yup s SER 35 Cb -0.16 -2.21 0.02 0.00 0.21 0.00 0.00 66.02 63.87 2yup s SER 35 CO 0.09 0.10 0.32 0.72 0.41 0.00 0.00 173.24 174.88 2yup s PHE 36 N -1.50 -0.00 -0.07 2.43 -0.12 -1.26 -5.02 117.98 112.43 2yup s PHE 36 Ca 0.37 -0.36 -0.02 0.00 -0.05 0.00 0.00 56.93 56.87 2yup s PHE 36 Cb -0.14 0.12 -0.03 0.00 -0.63 0.00 0.00 43.02 42.34 2yup s PHE 36 CO 0.19 -0.66 0.02 1.03 -0.05 0.00 0.00 175.22 175.76 2yup s ARG 37 N -3.85 3.02 0.12 1.99 1.81 -1.26 -2.43 118.95 118.35 2yup s ARG 37 Ca 0.06 -0.40 -0.35 0.00 -1.72 0.00 0.00 55.73 53.31 2yup s ARG 37 Cb 0.03 -2.83 -0.16 0.00 -0.45 0.00 0.00 34.95 31.55 2yup s ARG 37 CO -0.10 0.70 1.37 1.17 -0.68 0.00 0.00 175.30 177.77 2yup n LYS 38 N 1.98 1.43 0.00 3.54 4.81 -1.26 -2.18 118.16 126.49 2yup n LYS 38 Ca -0.18 0.52 0.00 0.00 -0.87 0.00 0.00 58.31 57.78 2yup n LYS 38 Cb 0.54 -2.17 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 2.64 3.07 3.03 3.14 0.00 0.13 -4.94 105.19 112.26 2yup n GLY 39 Ca 0.17 -0.83 -0.36 0.00 0.00 0.00 0.00 46.02 45.00 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 0.00 -3.55 1.61 -0.58 -0.92 -4.43 120.64 112.76 2yup n GLU 40 Ca 0.00 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.33 2yup n GLU 40 Cb 0.00 -0.96 -0.08 0.00 -0.57 0.00 0.00 31.44 29.83 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 -1.91 3.45 0.17 -0.32 3.76 -1.26 -2.88 115.29 116.29 2yup s HIS 41 Ca 0.49 -1.96 -0.26 0.00 -0.15 0.00 0.00 55.06 53.18 2yup s HIS 41 Cb -0.37 -3.50 -0.08 0.00 1.11 0.00 0.00 32.58 29.75 2yup s HIS 41 CO 0.69 -0.98 0.79 0.42 -0.85 0.00 0.00 174.74 174.80 2yup s ILE 42 N 1.16 4.36 -0.22 0.60 1.01 -1.13 -4.32 121.20 122.67 2yup s ILE 42 Ca 0.07 1.73 -0.17 0.00 0.00 0.00 0.00 60.65 62.28 2yup s ILE 42 Cb -0.25 -4.15 -0.03 0.00 0.01 0.00 0.00 42.46 38.04 2yup s ILE 42 CO -0.02 0.52 0.47 0.00 0.00 0.00 0.00 174.94 175.91 2yup s LEU 44 N 1.68 4.37 0.04 0.00 1.43 -0.94 -2.69 118.68 122.58 2yup s LEU 44 Ca 0.21 -2.18 -0.33 0.00 -1.03 0.00 0.00 54.13 50.81 2yup s LEU 44 Cb -0.15 -2.48 -0.18 0.00 0.03 0.00 0.00 46.19 43.40 2yup s LEU 44 CO 0.09 -1.14 1.39 0.40 0.23 0.00 0.00 176.35 177.32 2yup h ILE 45 N 5.79 0.04 -3.39 -0.59 2.04 -1.85 -1.19 117.51 118.36 2yup h ILE 45 Ca 0.27 -0.12 -0.13 0.00 1.00 0.00 0.00 64.86 65.87 2yup h ILE 45 Cb 0.95 0.05 -0.19 0.00 -0.74 0.00 0.00 36.82 36.89 2yup h ILE 45 CO 1.30 0.00 -0.40 0.00 0.00 0.00 0.00 178.15 179.05 2yup s ARG 46 N -5.48 0.60 -0.78 2.37 1.04 -1.14 -4.77 118.95 110.79 2yup s ARG 46 Ca -0.17 -0.41 -0.22 0.00 -1.04 0.00 0.00 55.73 53.89 2yup s ARG 46 Cb 0.02 0.25 0.09 0.00 -2.04 0.00 0.00 34.95 33.27 2yup s ARG 46 CO 0.53 -0.16 1.08 0.21 -0.04 0.00 0.00 175.30 176.93 2yup s LYS 47 N -1.72 3.32 0.21 3.89 2.20 -1.26 -2.31 119.74 124.06 2yup s LYS 47 Ca -0.12 -1.12 -0.10 0.00 -0.36 0.00 0.00 55.97 54.27 2yup s LYS 47 Cb -0.05 -4.55 0.29 0.00 -1.51 0.00 0.00 37.83 32.00 2yup s LYS 47 CO 0.01 -1.86 1.71 -0.24 -0.36 0.00 0.00 175.35 174.60 2yup h VAL 48 N 6.01 0.65 -4.11 4.02 3.04 -1.88 -3.44 116.25 120.54 2yup h VAL 48 Ca -0.10 -0.09 -0.13 0.00 -1.01 0.00 0.00 66.70 65.37 2yup h VAL 48 Cb 1.05 0.36 -0.14 0.00 -2.01 0.00 0.00 31.29 30.55 2yup h VAL 48 CO 1.19 0.05 -0.49 0.20 -1.01 0.00 0.00 177.57 177.50 2yup s ASN 49 N -5.30 0.21 0.19 3.17 0.01 -0.80 -4.98 114.94 107.43 2yup s ASN 49 Ca -0.13 -0.97 0.11 0.00 -0.71 0.00 0.00 52.86 51.16 2yup s ASN 49 Cb 0.18 0.34 0.60 0.00 0.41 0.00 0.00 41.25 42.77 2yup s ASN 49 CO 0.74 -0.77 1.29 -1.84 -1.51 0.00 0.00 177.10 175.01 2yup n GLU 50 N -0.10 0.07 0.02 -0.60 0.00 -1.26 -3.17 120.64 115.59 2yup n GLU 50 Ca -0.09 0.54 0.00 0.00 0.00 0.00 0.00 57.16 57.61 2yup n GLU 50 Cb 0.63 -1.81 0.00 0.00 0.00 0.00 0.00 31.44 30.25 2yup n GLU 50 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2yup n ASN 51 N -1.88 0.37 -4.78 -1.84 4.13 -1.26 -5.05 115.26 104.95 2yup n ASN 51 Ca -0.01 0.05 -0.36 0.00 1.68 0.00 0.00 54.58 55.94 2yup n ASN 51 Cb 0.09 -0.11 -0.04 0.00 -1.54 0.00 0.00 39.78 38.19 2yup n ASN 51 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 2yup s TRP 52 N -2.00 3.18 -0.09 3.10 0.52 -1.19 -3.41 118.94 119.05 2yup s TRP 52 Ca 0.00 1.62 0.03 0.00 0.02 0.00 0.00 56.10 57.77 2yup s TRP 52 Cb 0.00 -3.15 0.01 0.00 -1.15 0.00 0.00 33.47 29.18 2yup s TRP 52 CO 0.00 -0.76 -0.19 0.71 0.02 0.00 0.00 176.95 176.73 2yup s TYR 53 N -1.70 2.10 -0.41 -1.98 2.02 -0.59 -1.90 117.35 114.89 2yup s TYR 53 Ca 0.60 -0.84 -0.15 0.00 -0.37 0.00 0.00 57.07 56.31 2yup s TYR 53 Cb -0.22 -1.44 0.02 0.00 -0.40 0.00 0.00 41.96 39.92 2yup s TYR 53 CO 0.27 -0.36 0.31 -2.00 -1.57 0.00 0.00 175.55 172.20 2yup s GLU 54 N 0.49 2.98 0.38 -0.62 2.12 -0.98 -1.47 118.70 121.59 2yup s GLU 54 Ca -0.17 -1.02 0.05 0.00 0.36 0.00 0.00 54.97 54.20 2yup s GLU 54 Cb -0.17 -3.98 -0.02 0.00 0.26 0.00 0.00 34.13 30.21 2yup s GLU 54 CO 0.07 -0.76 0.20 0.20 -0.54 0.00 0.00 175.26 174.43 2yup s GLY 55 N 1.71 2.51 -0.03 -1.50 0.00 -0.64 -2.86 107.32 106.51 2yup s GLY 55 Ca 0.05 -1.58 0.02 0.00 0.00 0.00 0.00 44.72 43.22 2yup s GLY 55 CO 0.10 -1.67 -0.09 1.09 0.00 0.00 0.00 173.10 172.53 2yup s ARG 56 N -3.58 1.00 -0.17 2.90 1.04 -1.09 -1.84 118.95 117.20 2yup s ARG 56 Ca 0.31 -0.29 -0.29 0.00 -1.04 0.00 0.00 55.73 54.42 2yup s ARG 56 Cb 0.02 -0.93 -0.04 0.00 -2.04 0.00 0.00 34.95 31.96 2yup s ARG 56 CO 0.20 0.08 1.81 0.42 -0.04 0.00 0.00 175.30 177.78 2yup s ILE 57 N 0.32 3.42 0.54 4.99 -1.09 -1.11 -3.28 121.20 124.98 2yup s ILE 57 Ca -0.05 0.47 -0.21 0.00 -2.23 0.00 0.00 60.65 58.63 2yup s ILE 57 Cb -0.10 -3.43 -0.06 0.00 -1.58 0.00 0.00 42.46 37.29 2yup s ILE 57 CO 0.01 -0.18 1.10 1.07 -1.23 0.00 0.00 174.94 175.70 2yup n THR 58 N 6.55 3.41 0.00 2.92 5.66 -1.26 -2.38 114.28 129.17 2yup n THR 58 Ca 0.21 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 60.71 2yup n THR 58 Cb 0.44 -1.31 0.00 0.00 -1.55 0.00 0.00 70.33 67.91 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 1.09 1.59 3.93 1.09 0.00 -1.26 -4.94 105.19 106.69 2yup n GLY 59 Ca 0.11 -0.17 -0.22 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.12 5.05 -0.28 2.61 -4.23 -1.00 -5.01 115.64 112.66 2yup s THR 60 Ca 0.00 -1.06 -0.01 0.00 -1.18 0.00 0.00 61.69 59.44 2yup s THR 60 Cb 0.00 -3.72 0.19 0.00 1.34 0.00 0.00 72.50 70.31 2yup s THR 60 CO 0.00 -0.31 1.98 0.61 -0.54 0.00 0.00 174.62 176.37 2yup n GLY 61 N -1.24 3.87 3.93 3.99 0.00 -1.26 -4.56 105.19 109.91 2yup n GLY 61 Ca -0.09 -0.94 -0.26 0.00 0.00 0.00 0.00 46.02 44.73 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 -1.59 3.54 -0.12 1.61 0.52 -1.26 -5.03 118.95 116.62 2yup s ARG 62 Ca 0.27 -0.24 -0.30 0.00 -0.52 0.00 0.00 55.73 54.93 2yup s ARG 62 Cb 0.21 -2.71 0.11 0.00 0.52 0.00 0.00 34.95 33.08 2yup s ARG 62 CO -0.00 0.25 0.88 -1.14 0.02 0.00 0.00 175.30 175.31 2yup s GLN 63 N -3.79 0.76 0.00 3.54 0.74 -1.26 -2.77 119.66 116.88 2yup s GLN 63 Ca 0.41 0.18 0.00 0.00 0.05 0.00 0.00 55.36 55.99 2yup s GLN 63 Cb -0.10 0.36 0.00 0.00 1.10 0.00 0.00 33.01 34.37 2yup s GLN 63 CO 0.32 -0.24 0.00 0.41 -0.55 0.00 0.00 175.29 175.23 2yup n GLY 64 N 0.78 -1.96 3.76 2.59 0.00 -0.76 -4.82 105.19 104.78 2yup n GLY 64 Ca -0.13 -1.20 -0.29 0.00 0.00 0.00 0.00 46.02 44.40 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 -2.50 4.37 0.08 -0.61 -4.36 0.30 -1.62 121.20 116.87 2yup s ILE 65 Ca 0.00 -0.97 -0.15 0.00 -0.26 0.00 0.00 60.65 59.28 2yup s ILE 65 Cb 0.00 -3.15 0.02 0.00 1.25 0.00 0.00 42.46 40.58 2yup s ILE 65 CO 0.00 0.02 0.34 0.72 0.24 0.00 0.00 174.94 176.26 2yup s PHE 66 N -1.53 -0.13 0.04 1.37 -0.71 -0.54 -2.39 117.98 114.09 2yup s PHE 66 Ca 0.29 -0.10 -0.30 0.00 -1.04 0.00 0.00 56.93 55.78 2yup s PHE 66 Cb -0.11 0.15 -0.06 0.00 -1.21 0.00 0.00 43.02 41.79 2yup s PHE 66 CO 0.22 -0.59 1.42 -1.25 -1.34 0.00 0.00 175.22 173.67 2yup s PRO 67 N -3.19 4.29 0.09 1.99 0.04 -1.26 -1.54 135.00 135.42 2yup s PRO 67 Ca -0.01 2.03 -0.31 0.00 0.04 0.00 0.00 61.00 62.75 2yup s PRO 67 Cb 0.01 -3.49 -0.14 0.00 0.04 0.00 0.00 34.50 30.92 2yup s PRO 67 CO -0.07 -0.55 1.61 0.00 0.04 0.00 0.00 177.00 178.03 2yup h ALA 68 N 7.61 -0.77 -0.84 8.56 0.00 -1.88 -2.38 119.26 129.55 2yup h ALA 68 Ca -0.40 -0.13 0.32 0.00 0.00 0.00 0.00 54.91 54.71 2yup h ALA 68 Cb 1.19 0.48 -0.15 0.00 0.00 0.00 0.00 17.79 19.31 2yup h ALA 68 CO 0.89 -0.97 0.35 0.45 0.00 0.00 0.00 179.25 179.98 2yup n SER 69 N -5.46 0.20 -0.17 0.00 2.88 -1.26 0.21 113.62 110.02 2yup n SER 69 Ca -0.10 1.41 -0.08 0.00 -1.33 0.00 0.00 58.87 58.77 2yup n SER 69 Cb 0.36 -0.64 0.01 0.00 -0.75 0.00 0.00 64.21 63.19 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 0.72 -1.69 0.66 -1.99 -1.82 -3.44 116.97 109.41 2yup h TYR 70 Ca 0.67 -0.03 -0.44 0.00 2.00 0.00 0.00 58.73 60.93 2yup h TYR 70 Cb 1.69 -0.22 0.03 0.00 2.00 0.00 0.00 36.73 40.23 2yup h TYR 70 CO -0.11 0.56 -0.15 0.14 -0.00 0.00 0.00 178.16 178.60 2yup s VAL 71 N -5.72 2.72 -0.21 -2.88 -7.23 0.58 -2.89 120.40 104.77 2yup s VAL 71 Ca -0.13 -0.88 -0.04 0.00 -1.81 0.00 0.00 61.98 59.12 2yup s VAL 71 Cb 0.12 -2.84 -0.02 0.00 0.56 0.00 0.00 36.38 34.19 2yup s VAL 71 CO 0.76 0.00 -0.02 -1.58 -0.31 0.00 0.00 175.10 173.95 2yup s GLN 72 N -4.56 3.50 -0.33 4.82 0.74 0.56 -4.83 119.66 119.56 2yup s GLN 72 Ca 0.57 -0.57 -0.22 0.00 0.05 0.00 0.00 55.36 55.19 2yup s GLN 72 Cb -0.09 -3.03 0.00 0.00 1.10 0.00 0.00 33.01 30.99 2yup s GLN 72 CO 0.36 -0.07 0.74 0.08 -0.55 0.00 0.00 175.29 175.85 2yup s VAL 73 N 1.17 4.82 -0.22 1.34 1.01 -1.26 -1.52 120.40 125.74 2yup s VAL 73 Ca 0.02 0.97 -0.00 0.00 0.00 0.00 0.00 61.98 62.97 2yup s VAL 73 Cb -0.14 -4.13 -0.14 0.00 0.00 0.00 0.00 36.38 31.97 2yup s VAL 73 CO 0.00 -0.29 -0.21 -0.24 0.00 0.00 0.00 175.10 174.37 2yup n SER 74 N 6.18 2.21 -3.63 3.32 2.88 -1.09 -4.94 113.62 118.54 2yup n SER 74 Ca 0.02 -0.06 -0.25 0.00 -1.33 0.00 0.00 58.87 57.25 2yup n SER 74 Cb 0.48 -0.40 -0.17 0.00 -0.75 0.00 0.00 64.21 63.38 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 -2.43 0.12 0.43 -1.46 3.52 -1.15 -4.97 118.95 113.00 2yup s ARG 75 Ca -0.30 -0.06 -0.25 0.00 -0.13 0.00 0.00 55.73 54.99 2yup s ARG 75 Cb 0.08 -1.69 -0.08 0.00 -1.56 0.00 0.00 34.95 31.70 2yup s ARG 75 CO 0.49 -0.62 1.25 -1.21 -0.81 0.00 0.00 175.30 174.40 2yup s GLU 76 N 2.11 3.86 0.91 5.12 2.02 -1.26 -1.42 118.70 130.04 2yup s GLU 76 Ca 0.02 2.01 -0.15 0.00 0.02 0.00 0.00 54.97 56.87 2yup s GLU 76 Cb -0.16 -2.62 0.23 0.00 0.10 0.00 0.00 34.13 31.68 2yup s GLU 76 CO -0.08 -0.54 0.81 -0.35 0.02 0.00 0.00 175.26 175.12 2yup n PRO 77 N -0.13 -2.60 -3.64 0.39 -0.04 -1.26 -4.69 135.00 123.03 2yup n PRO 77 Ca 0.05 -1.30 -0.07 0.00 -0.04 0.00 0.00 63.50 62.15 2yup n PRO 77 Cb 0.45 -1.21 -0.07 0.00 -0.04 0.00 0.00 33.50 32.63 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 -4.84 0.47 -0.02 0.54 3.00 -1.26 -4.96 118.95 111.87 2yup s ARG 78 Ca 0.53 0.64 -0.06 0.00 -1.00 0.00 0.00 55.73 55.83 2yup s ARG 78 Cb -0.05 0.18 -0.02 0.00 0.00 0.00 0.00 34.95 35.06 2yup s ARG 78 CO 0.40 -0.07 -0.12 1.28 0.00 0.00 0.00 175.30 176.80 2yup n LEU 79 N 2.76 1.08 -2.59 -0.88 7.99 -1.26 -4.89 117.00 119.22 2yup n LEU 79 Ca -0.15 0.16 -0.11 0.00 -0.01 0.00 0.00 56.01 55.91 2yup n LEU 79 Cb 0.57 -0.45 0.03 0.00 -0.11 0.00 0.00 43.42 43.46 2yup n LEU 79 CO 0.02 -0.52 0.02 -1.14 -1.51 0.00 0.00 177.39 174.26 2yup n ARG 80 N -3.54 2.15 -1.66 3.23 0.63 -1.26 -4.87 116.66 111.35 2yup n ARG 80 Ca -0.05 -3.69 -0.31 0.00 -0.92 0.00 0.00 57.85 52.88 2yup n ARG 80 Cb 0.18 -1.72 0.05 0.00 0.45 0.00 0.00 32.46 31.42 2yup n ARG 80 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2yup n LEU 81 N -0.46 6.52 -4.63 6.15 4.77 -1.26 -5.01 117.00 123.08 2yup n LEU 81 Ca 0.19 -4.52 -0.44 0.00 -0.03 0.00 0.00 56.01 51.21 2yup n LEU 81 Cb 0.82 -0.71 -0.03 0.00 -2.33 0.00 0.00 43.42 41.16 2yup n LEU 81 CO 0.22 1.76 1.70 0.00 -1.33 0.00 0.00 177.39 179.74 2yup s ASP 83 N 6.04 6.19 -0.09 0.00 1.47 -1.26 -5.02 116.67 124.01 2yup s ASP 83 Ca 0.95 -1.36 -0.39 0.00 1.18 0.00 0.00 52.55 52.94 2yup s ASP 83 Cb -0.45 -2.29 -0.17 0.00 -0.34 0.00 0.00 42.92 39.67 2yup s ASP 83 CO 0.41 -1.06 1.49 0.47 0.68 0.00 0.00 175.17 177.17 2yup n ASP 84 N 6.25 1.82 -4.90 2.11 8.00 -1.26 -4.94 116.55 123.63 2yup n ASP 84 Ca -0.09 1.11 -0.28 0.00 0.71 0.00 0.00 54.79 56.23 2yup n ASP 84 Cb 0.43 -1.14 0.01 0.00 -0.02 0.00 0.00 41.12 40.40 2yup n ASP 84 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2yup s SER 85 N 1.76 6.00 0.25 -2.24 0.01 -1.26 -5.10 113.70 113.13 2yup s SER 85 Ca 0.91 0.99 0.04 0.00 1.31 0.00 0.00 55.95 59.20 2yup s SER 85 Cb -1.04 -2.12 -0.02 0.00 0.21 0.00 0.00 66.02 63.06 2yup s SER 85 CO 0.56 -0.84 0.25 0.61 0.41 0.00 0.00 173.24 174.23 2yup n GLY 86 N -2.51 3.00 0.28 3.44 0.00 -1.26 -5.04 105.19 103.09 2yup n GLY 86 Ca 0.03 -1.77 0.17 0.00 0.00 0.00 0.00 46.02 44.45 2yup n GLY 86 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yup h PRO 87 N 0.00 0.00 -6.68 1.61 0.13 -2.07 -3.44 132.00 121.55 2yup h PRO 87 Ca -0.18 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.44 2yup h PRO 87 Cb 0.89 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.03 2yup h PRO 87 CO 0.26 0.02 0.47 0.45 -0.23 0.00 0.00 178.00 178.97 2yup s SER 88 N -5.71 7.28 0.16 1.44 0.15 -1.26 -4.95 113.70 110.80 2yup s SER 88 Ca 0.01 2.11 -0.27 0.00 0.70 0.00 0.00 55.95 58.50 2yup s SER 88 Cb 0.09 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 2yup s SER 88 CO 0.54 -0.19 1.57 -1.28 1.20 0.00 0.00 173.24 175.08 2yup h SER 89 N 4.86 -1.54 0.00 5.45 0.87 -2.06 -3.52 113.55 117.61 2yup h SER 89 Ca -0.45 0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 2yup h SER 89 Cb 1.21 0.68 0.00 0.00 -0.44 0.00 0.00 62.40 63.85 2yup h SER 89 CO 0.71 -0.36 0.00 0.61 -0.53 0.00 0.00 176.83 177.27